data_2li5_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 2li5 _Structure_validation_residue.Date_analyzed 2016-10-08 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 ' 4' ' ' THR . . . . . . . . . . . . . 1.2 p . . . . . 0 N--CA 1.452 -0.352 0 N-CA-C 110.455 -0.202 . . . . 74.439999999999998 110.455 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . 0.617 ' CE1' ' OH ' ' A' ' 9' ' ' TYR . 8.6 t80 -59.4 -22.85 62.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 75.109999999999999 111.047 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 8.6 tmtt? -100.63 -11.88 19.66 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 72.109999999999999 109.283 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 16.5 t -88.81 -31.36 18.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.444 1.09 . . . . 63.350000000000001 110.01 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . 0.555 ' HB3' ' CD1' ' A' ' 9' ' ' TYR . 51.5 tt0 -45.46 -49.39 13.5 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.444 1.09 . . . . 75.049999999999997 110.342 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . 0.617 ' OH ' ' CE1' ' A' ' 5' ' ' PHE . 0.2 OUTLIER -122.47 168.99 10.45 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.11 . . . . 62.130000000000003 110.971 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -179.52 5.07 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.443 1.76 . . . . 44.439999999999998 110.952 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.502 ' CE2' ' HB3' ' A' ' 102' ' ' ASP . 5.3 t80 -65.14 -54.16 33.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 73.120000000000005 110.987 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -43.96 -26.51 0.28 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.474 1.109 . . . . 72.25 110.266 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.498 ' HZ3' ' HB2' ' A' ' 13' ' ' LYS . 0.0 OUTLIER -70.72 -46.23 63.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 72.310000000000002 109.28 -179.955 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.716 ' NH1' HD12 ' A' ' 32' ' ' ILE . 0.0 OUTLIER -63.0 -56.99 12.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.151 . . . . 72.400000000000006 110.309 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 2.1 pttt -47.83 -39.98 19.97 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.47 1.106 . . . . 63.020000000000003 109.282 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -67.89 -33.9 75.61 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.532 1.145 . . . . 52.130000000000003 109.308 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.447 ' N ' ' O ' ' A' ' 14' ' ' ARG . 19.0 tp10 -67.16 -49.48 64.6 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.12 . . . . 64.25 110.334 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.402 ' HB3' ' CE1' ' A' ' 104' ' ' PHE . 81.1 p -63.38 -23.72 67.53 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.109 . . . . 73.400000000000006 109.998 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -67.99 -22.96 64.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.435 1.085 . . . . 72.310000000000002 110.268 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 37.9 mtp180 -100.94 -36.73 8.93 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.472 1.107 . . . . 74.030000000000001 110.374 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.551 HD13 ' HZ ' ' A' ' 104' ' ' PHE . 7.9 mt -61.04 -17.31 15.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.576 1.172 . . . . 70.129999999999995 109.32 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -79.06 -23.0 44.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 53.32 109.338 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -101.11 -5.52 25.58 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.443 1.09 . . . . 74.040000000000006 109.227 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.566 ' HB3' ' CD2' ' A' ' 25' ' ' PHE . 11.3 mtp180 -101.93 -59.01 1.77 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 72.200000000000003 110.3 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.566 ' CD2' ' HB3' ' A' ' 24' ' ' ARG . 46.7 m-85 -131.98 89.88 37.13 Favored Pre-proline 0 C--N 1.324 -0.527 0 O-C-N 124.506 1.129 . . . . 64.319999999999993 111.014 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -27.59 9.84 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.462 1.769 . . . . 74.200000000000003 111.008 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 92.3 m-20 -93.53 41.27 1.08 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 72.439999999999998 109.311 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.442 ' CG ' ' HB3' ' A' ' 25' ' ' PHE . 1.5 mmt-85 -128.76 169.27 14.72 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.509 1.131 . . . . 75.129999999999995 110.293 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.532 HG23 ' CB ' ' A' ' 95' ' ' TYR . 34.5 mm -134.48 96.48 15.27 Favored Pre-proline 0 C--N 1.324 -0.543 0 O-C-N 124.497 1.123 . . . . 73.209999999999994 109.357 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.596 ' HD2' ' CE2' ' A' ' 95' ' ' TYR . 18.3 Cg_endo -74.96 122.98 7.57 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.485 1.781 . . . . 64.019999999999996 110.968 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.484 HG13 HG23 ' A' ' 51' ' ' VAL . 0.8 OUTLIER -137.36 173.47 13.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.457 1.098 . . . . 75.340000000000003 109.358 179.962 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.716 HD12 ' NH1' ' A' ' 14' ' ' ARG . 7.5 mm -137.28 108.78 6.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.569 1.168 . . . . 65.239999999999995 109.312 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.988 ' HG ' HD13 ' A' ' 64' ' ' ILE . 2.7 t -78.81 133.19 37.07 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.561 1.163 . . . . 43.200000000000003 108.262 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.931 ' HB3' HG21 ' A' ' 108' ' ' THR . 4.9 tm-20 -138.23 161.46 36.82 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 74.129999999999995 110.37 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.72 ' HZ1' ' HA ' ' A' ' 43' ' ' GLU . 0.0 OUTLIER -115.96 127.75 55.21 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.436 1.085 . . . . 74.109999999999999 109.276 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.402 ' N ' ' HD2' ' A' ' 35' ' ' LYS . . . -59.58 156.11 14.12 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.558 1.161 . . . . 61.539999999999999 109.376 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.423 ' CG ' ' N ' ' A' ' 38' ' ' LYS . 12.6 pt-20 -77.38 -48.56 16.97 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.134 . . . . 72.099999999999994 110.312 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.423 ' N ' ' CG ' ' A' ' 37' ' ' GLU . 33.1 mttp -53.11 -40.18 63.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 70.129999999999995 109.312 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.4 ' O ' ' O ' ' A' ' 38' ' ' LYS . 6.5 t -41.18 161.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 61.219999999999999 109.992 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 71.5 m-20 -118.24 -4.74 10.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 65.120000000000005 109.311 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.547 HD12 ' CE2' ' A' ' 109' ' ' TYR . 0.1 OUTLIER -75.39 166.84 42.04 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.517 1.136 . . . . 75.430000000000007 109.23 -179.928 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 131.08 13.81 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.553 1.817 . . . . 64.400000000000006 111.032 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.72 ' HA ' ' HZ1' ' A' ' 35' ' ' LYS . 30.8 tt0 -69.45 146.98 51.55 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.516 1.135 . . . . 74.430000000000007 110.313 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 1.043 ' CD1' ' HH ' ' A' ' 49' ' ' TYR . 14.2 tt -64.4 171.54 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.577 1.173 . . . . 73.530000000000001 109.31 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -79.1 -41.12 29.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.537 1.148 . . . . 74.129999999999995 109.262 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.422 ' C ' ' CD ' ' A' ' 46' ' ' LYS . 0.0 OUTLIER -153.71 159.51 42.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 72.310000000000002 109.313 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.562 ' HB3' HG22 ' A' ' 32' ' ' ILE . 7.0 mtp180 -105.13 95.56 5.93 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.453 1.095 . . . . 73.310000000000002 110.289 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.679 ' HZ2' HD12 ' A' ' 50' ' ' LEU . 2.1 tptt -165.44 105.92 0.75 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.116 . . . . 65.409999999999997 109.274 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 1.043 ' HH ' ' CD1' ' A' ' 44' ' ' ILE . 15.4 m-85 -135.18 116.93 15.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 72.340000000000003 110.963 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.679 HD12 ' HZ2' ' A' ' 48' ' ' LYS . 0.3 OUTLIER -104.08 77.88 1.47 Allowed 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.503 1.127 . . . . 74.329999999999998 109.296 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.676 HG11 ' HD1' ' A' ' 60' ' ' PHE . 14.0 m -77.8 150.7 78.92 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.591 1.182 . . . . 63.399999999999999 109.312 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.01 -179.46 5.01 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.492 1.785 . . . . 72.439999999999998 111.02 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -93.77 17.9 11.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.146 . . . . 72.450000000000003 109.392 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -118.81 -38.19 3.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.545 1.153 . . . . 72.409999999999997 109.276 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.421 ' HG ' ' CB ' ' A' ' 59' ' ' GLN . 1.1 tp -58.38 135.79 57.29 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.484 1.115 . . . . 73.349999999999994 109.297 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.519 HG21 HE21 ' A' ' 59' ' ' GLN . 1.2 p -93.75 -173.45 3.16 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.144 . . . . 33.539999999999999 110.347 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 2.4 t -72.69 -49.83 38.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.527 1.142 . . . . 60.439999999999998 109.29 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -65.25 -9.61 43.25 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.502 1.126 . . . . 73.230000000000004 111.001 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . 0.519 HE21 HG21 ' A' ' 56' ' ' THR . 7.8 mt-30 -95.94 -26.55 15.54 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.458 0.74 . . . . 74.530000000000001 110.317 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.676 ' HD1' HG11 ' A' ' 51' ' ' VAL . 77.1 t80 -71.42 -50.22 34.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 73.030000000000001 111.002 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.743 HG23 ' CG1' ' A' ' 78' ' ' ILE . 59.7 t -40.57 -49.82 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 73.010000000000005 109.303 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.704 ' HH ' ' HE3' ' A' ' 66' ' ' LYS . 0.5 OUTLIER -44.2 -44.12 7.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 74.540000000000006 111.042 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.774 HG22 ' HA ' ' B' ' 630' ' ' ALA . 57.1 t -61.76 -36.63 74.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.13 . . . . 65.319999999999993 109.298 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.988 HD13 ' HG ' ' A' ' 33' ' ' CYS . 2.5 mm -71.61 -40.12 70.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.41 1.068 . . . . 74.049999999999997 109.301 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 5.5 tpp85 -70.59 -5.36 28.65 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.503 1.127 . . . . 63.25 110.339 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.704 ' HE3' ' HH ' ' A' ' 62' ' ' TYR . 3.0 mttm -90.81 -48.97 6.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 71.450000000000003 109.332 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . 0.444 ' HA ' ' NE ' ' A' ' 67' ' ' ARG . 6.6 mmp_? -54.44 -65.16 0.62 Allowed 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.546 1.154 . . . . 74.150000000000006 110.237 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.494 ' O ' ' CG ' ' A' ' 69' ' ' MET . 6.5 pt -74.08 -4.09 5.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 74.209999999999994 109.312 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' MET . . . . . 0.494 ' CG ' ' O ' ' A' ' 68' ' ' ILE . 8.7 ptp 43.32 39.24 2.0 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 64.340000000000003 110.952 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.503 HD12 ' HA ' ' A' ' 70' ' ' LEU . 5.6 tp -54.11 140.62 52.41 Favored Pre-proline 0 C--N 1.324 -0.527 0 O-C-N 124.523 1.139 . . . . 62.43 109.3 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 167.02 27.9 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.521 1.801 . . . . 75.310000000000002 111.002 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.91 0.7 8.54 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.474 1.776 . . . . 73.310000000000002 111.04 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -96.2 -1.19 48.79 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.476 1.11 . . . . 75.109999999999999 110.246 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -112.48 179.78 3.89 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.127 . . . . 74.239999999999995 109.35 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -134.51 154.62 51.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 54.009999999999998 109.303 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.683 HD12 ' CD2' ' A' ' 109' ' ' TYR . 1.1 tt -152.44 117.71 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.104 . . . . 71.129999999999995 109.283 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 63.9 m-85 -116.74 141.41 48.24 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 70.230000000000004 111.011 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.743 ' CG1' HG23 ' A' ' 61' ' ' VAL . 3.0 mm -85.04 157.22 3.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 70.040000000000006 109.266 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . 0.445 ' N ' ' O ' ' A' ' 108' ' ' THR . 5.0 m-85 -151.21 123.62 8.37 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.443 1.089 . . . . 63.119999999999997 110.953 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.755 ' O ' HG23 ' A' ' 83' ' ' THR . 2.0 t -126.57 105.95 14.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.445 1.091 . . . . 75.209999999999994 109.295 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . 0.54 ' ND2' ' CE1' ' A' ' 98' ' ' HIS . 3.1 m-80 71.36 21.6 4.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.453 1.095 . . . . 74.420000000000002 109.29 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . 0.496 ' CB ' ' O ' ' A' ' 81' ' ' ASN . 9.0 t0 81.92 21.88 0.29 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.562 1.164 . . . . 75.129999999999995 109.293 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' THR . . . . . 0.755 HG23 ' O ' ' A' ' 80' ' ' VAL . 1.1 t -124.58 141.31 52.19 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.456 1.098 . . . . 74.25 110.392 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.448 ' CD1' ' O ' ' A' ' 78' ' ' ILE . 0.2 OUTLIER -101.32 107.91 52.78 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.482 1.113 . . . . 64.219999999999999 109.27 -179.934 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 163.38 35.35 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.497 1.788 . . . . 73.140000000000001 110.992 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . 0.808 ' HG2' ' HB2' ' A' ' 89' ' ' ALA . 18.4 Cg_endo -74.98 -168.21 0.49 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.486 1.782 . . . . 70.439999999999998 111.044 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 2.6 p -96.43 -35.22 11.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 62.409999999999997 110.402 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -83.82 6.95 19.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 71.439999999999998 109.282 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . 1.026 ' HB1' HD12 ' A' ' 94' ' ' ILE . . . -76.34 60.77 1.58 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.533 1.146 . . . . 73.430000000000007 109.233 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.601 ' C ' ' O ' ' A' ' 89' ' ' ALA . 0.4 OUTLIER -23.86 123.31 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.45 1.094 . . . . 71.209999999999994 109.235 179.923 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' MET . . . . . 0.469 ' HE1' ' HB3' ' A' ' 91' ' ' MET . 40.8 mmm -51.62 -20.22 1.9 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.521 1.138 . . . . 71.209999999999994 110.931 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 6.6 t -69.81 -45.63 67.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 61.219999999999999 110.048 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -78.25 -8.46 58.38 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.119 . . . . 70.439999999999998 109.35 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 1.026 HD12 ' HB1' ' A' ' 89' ' ' ALA . 21.9 mm -87.03 -48.4 15.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 61.530000000000001 109.304 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' TYR . . . . . 0.8 ' CD2' HD21 ' A' ' 105' ' ' LEU . 4.1 t80 -70.52 -6.19 34.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 52.140000000000001 111.035 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . 0.415 ' O ' ' CG ' ' A' ' 96' ' ' GLN . 27.2 tp60 -95.86 -12.74 24.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.441 1.088 . . . . 73.329999999999998 110.298 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -121.78 -6.14 9.1 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.467 1.105 . . . . 70.129999999999995 110.312 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . 0.692 ' HB2' HD11 ' A' ' 105' ' ' LEU . 14.3 m-70 -121.29 14.44 11.26 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.542 1.151 . . . . 62.030000000000001 109.584 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . 0.531 ' HB3' ' O ' ' A' ' 95' ' ' TYR . 0.0 OUTLIER -70.61 157.04 38.64 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.469 1.105 . . . . 60.420000000000002 109.278 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . 0.448 ' O ' ' N ' ' A' ' 103' ' ' GLY . 0.4 OUTLIER -130.88 173.61 10.79 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.494 1.121 . . . . 64.510000000000005 109.257 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 43.6 mtmt -48.64 -41.1 30.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 74.239999999999995 109.283 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . 0.502 ' HB3' ' CE2' ' A' ' 11' ' ' PHE . 0.3 OUTLIER -63.5 -32.25 73.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.452 1.095 . . . . 52.350000000000001 109.314 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 100' ' ' ASP . . . 101.56 -39.44 2.75 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.504 1.128 . . . . 42.140000000000001 111.031 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . 0.654 ' CE2' ' NH2' ' A' ' 14' ' ' ARG . 21.2 m-85 -68.09 145.56 54.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 0.767 . . . . 73.230000000000004 111.002 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.8 HD21 ' CD2' ' A' ' 95' ' ' TYR . 0.2 OUTLIER -80.28 162.47 24.57 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.402 1.064 . . . . 74.420000000000002 109.256 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 31.0 m-85 -140.98 88.64 2.19 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 64.400000000000006 110.99 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . 0.538 ' CG2' ' CG2' ' A' ' 78' ' ' ILE . 9.9 p -94.05 169.06 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.514 1.134 . . . . 71.319999999999993 109.274 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' THR . . . . . 0.931 HG21 ' HB3' ' A' ' 34' ' ' GLU . 0.2 OUTLIER -153.88 130.78 10.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 74.209999999999994 110.422 -179.952 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' TYR . . . . . 0.683 ' CD2' HD12 ' A' ' 76' ' ' ILE . 45.3 p90 -114.42 143.66 44.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.594 1.184 . . . . 63.539999999999999 110.972 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 18.8 t -146.79 141.93 27.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 73.5 110.018 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -64.33 -10.43 41.92 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.528 1.142 . . . . 54.340000000000003 110.991 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -110.92 130.92 55.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.413 0.714 . . . . 65.25 110.284 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . 0.4 ' CG ' ' O ' ' A' ' 113' ' ' ASN . 46.1 t-20 . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.544 1.153 . . . . 71.129999999999995 109.279 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 629' ' ' ILE . . . . . 0.544 ' C ' HD13 ' B' ' 629' ' ' ILE . 1.3 pp . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.262 -0.644 . . . . 61.409999999999997 109.262 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 630' ' ' ALA . . . . . 0.774 ' HA ' HG22 ' A' ' 63' ' ' VAL . . . . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 73.25 109.288 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.777 ' HG1' ' HA ' ' A' ' 46' ' ' LYS . 69.9 p . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 110.441 -0.207 . . . . 74.439999999999998 110.441 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . 0.599 ' O ' ' CE1' ' A' ' 9' ' ' TYR . 56.1 t80 -52.74 -26.33 13.79 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.504 1.127 . . . . 75.109999999999999 111.039 179.895 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.43 ' HE3' ' CE1' ' A' ' 106' ' ' TYR . 29.0 tttm -100.72 -20.6 15.52 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.593 1.183 . . . . 72.109999999999999 109.358 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 39.1 t -83.09 5.12 23.55 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.539 1.149 . . . . 63.350000000000001 110.043 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -90.49 -64.1 1.18 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.642 1.214 . . . . 75.049999999999997 110.292 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . 0.599 ' CE1' ' O ' ' A' ' 5' ' ' PHE . 22.3 p90 -105.84 164.19 15.52 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.613 1.196 . . . . 62.130000000000003 111.012 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 171.16 18.86 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.486 1.782 . . . . 44.439999999999998 110.989 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.594 ' CE2' ' HB3' ' A' ' 102' ' ' ASP . 2.3 t80 -58.5 -34.88 71.43 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.585 1.178 . . . . 73.120000000000005 110.983 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -62.72 -12.32 23.1 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.517 1.136 . . . . 72.25 110.25 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.557 ' HB3' ' CD2' ' A' ' 9' ' ' TYR . 0.0 OUTLIER -93.75 -15.01 25.62 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.486 1.116 . . . . 72.310000000000002 109.388 179.983 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.594 ' NH2' ' CE2' ' A' ' 5' ' ' PHE . 3.9 ttm105 -97.32 -39.59 9.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 72.400000000000006 110.322 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 27.6 pttt -64.57 -38.8 92.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 63.020000000000003 109.26 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -77.81 -14.94 59.42 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.499 1.124 . . . . 52.130000000000003 109.236 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 77.3 tt0 -75.43 -48.5 22.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 64.25 110.311 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.456 ' OG ' ' CD1' ' A' ' 104' ' ' PHE . 0.3 OUTLIER -69.1 -9.92 55.08 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.408 1.067 . . . . 73.400000000000006 110.109 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 -73.03 -25.86 61.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 72.310000000000002 110.243 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.41 ' HG3' ' N ' ' A' ' 21' ' ' ILE . 3.7 ptp180 -100.57 -32.54 10.72 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.532 1.145 . . . . 74.030000000000001 110.253 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.41 ' N ' ' HG3' ' A' ' 20' ' ' ARG . 4.8 mt -66.83 -17.53 22.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 70.129999999999995 109.32 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -76.61 -17.63 59.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 53.32 109.213 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -105.66 -16.82 14.59 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 74.040000000000006 109.315 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 2.8 mmm180 -95.34 -60.73 1.61 Allowed 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.463 1.102 . . . . 72.200000000000003 110.328 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.422 ' HB3' ' CG ' ' A' ' 28' ' ' ARG . 4.0 m-85 -122.11 80.74 43.65 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.561 1.163 . . . . 64.319999999999993 111.024 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 -32.05 5.82 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.427 1.751 . . . . 74.200000000000003 111.024 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 12.5 m-20 -91.28 39.07 0.99 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.436 1.085 . . . . 72.439999999999998 109.315 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.517 ' NH1' HD21 ' A' ' 50' ' ' LEU . 9.1 mmt85 -127.45 174.91 8.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 75.129999999999995 110.377 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.439 HG23 ' CB ' ' A' ' 95' ' ' TYR . 30.5 mm -137.11 99.39 9.97 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.127 . . . . 73.209999999999994 109.262 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.603 ' HD2' ' CE2' ' A' ' 95' ' ' TYR . 18.2 Cg_endo -75.06 118.9 5.41 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.425 1.75 . . . . 64.019999999999996 110.973 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.712 ' O ' HD11 ' A' ' 32' ' ' ILE . 1.4 m -134.11 172.15 16.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.466 1.104 . . . . 75.340000000000003 109.266 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.712 HD11 ' O ' ' A' ' 31' ' ' VAL . 5.0 mm -140.97 107.52 2.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.559 1.162 . . . . 65.239999999999995 109.278 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -92.44 136.36 33.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.545 1.153 . . . . 43.200000000000003 108.264 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.884 ' CB ' HH21 ' A' ' 47' ' ' ARG . 8.4 tm-20 -140.27 153.3 46.45 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.568 1.167 . . . . 74.129999999999995 110.302 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.569 ' HZ3' ' HA ' ' A' ' 37' ' ' GLU . 0.0 OUTLIER -82.89 128.03 34.05 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.58 1.175 . . . . 74.109999999999999 109.327 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.568 ' HB3' ' HB2' ' A' ' 110' ' ' SER . . . -76.87 112.08 13.09 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.467 1.105 . . . . 61.539999999999999 109.258 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.569 ' HA ' ' HZ3' ' A' ' 35' ' ' LYS . 14.1 pt-20 -42.6 -48.37 5.4 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.505 1.128 . . . . 72.099999999999994 110.299 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.47 ' N ' ' CG ' ' A' ' 37' ' ' GLU . 0.0 OUTLIER -42.38 -43.85 3.72 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.522 1.138 . . . . 70.129999999999995 109.332 179.938 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.761 ' HG ' ' H ' ' A' ' 111' ' ' GLY . 0.2 OUTLIER -62.21 166.36 4.96 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.559 1.162 . . . . 61.219999999999999 109.98 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 10.0 t0 -120.14 27.21 8.77 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.476 1.11 . . . . 65.120000000000005 109.274 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.617 HD12 ' CE2' ' A' ' 109' ' ' TYR . 0.1 OUTLIER -92.21 171.28 7.89 Favored Pre-proline 0 C--N 1.323 -0.572 0 O-C-N 124.606 1.191 . . . . 75.430000000000007 109.349 179.912 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . 0.424 ' O ' HG21 ' A' ' 68' ' ' ILE . 18.2 Cg_endo -75.01 123.08 7.61 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.586 1.835 . . . . 64.400000000000006 110.976 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -60.71 152.93 25.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 74.430000000000007 110.273 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 1.016 ' CD1' ' HH ' ' A' ' 49' ' ' TYR . 10.7 tt -83.16 161.62 3.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 73.530000000000001 109.238 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . 0.549 ' HD2' ' NE ' ' A' ' 67' ' ' ARG . 1.0 OUTLIER -62.77 -49.91 73.12 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.425 1.078 . . . . 74.129999999999995 109.264 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.777 ' HA ' ' HG1' ' A' ' 4' ' ' THR . 0.0 OUTLIER -149.38 164.97 33.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 72.310000000000002 109.267 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.884 HH21 ' CB ' ' A' ' 34' ' ' GLU . 0.9 OUTLIER -109.45 95.33 5.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.105 . . . . 73.310000000000002 110.341 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.781 ' HZ2' ' HB2' ' A' ' 50' ' ' LEU . 8.6 tptp -165.93 108.48 0.77 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.447 1.092 . . . . 65.409999999999997 109.335 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 1.016 ' HH ' ' CD1' ' A' ' 44' ' ' ILE . 43.9 m-85 -135.27 124.99 25.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.117 . . . . 72.340000000000003 110.962 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.781 ' HB2' ' HZ2' ' A' ' 48' ' ' LYS . 0.4 OUTLIER -111.61 78.05 1.09 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 74.329999999999998 109.317 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.909 HG22 ' SD ' ' A' ' 91' ' ' MET . 28.4 m -77.51 150.13 79.14 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.114 . . . . 63.399999999999999 109.29 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . 0.454 ' HD3' ' HB1' ' B' ' 630' ' ' ALA . 18.2 Cg_endo -75.04 -178.09 3.93 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.484 1.781 . . . . 72.439999999999998 110.98 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -93.44 18.48 9.73 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.545 1.153 . . . . 72.450000000000003 109.272 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 18.8 m-20 -121.09 -38.86 2.76 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 72.409999999999997 109.255 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.426 ' HG ' ' CB ' ' A' ' 59' ' ' GLN . 0.9 OUTLIER -56.25 129.09 38.83 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.527 1.142 . . . . 73.349999999999994 109.296 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 1.043 HG23 ' CD2' ' A' ' 90' ' ' LEU . 5.0 p -90.65 177.0 6.46 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.457 1.098 . . . . 33.539999999999999 110.38 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.436 ' O ' HG21 ' A' ' 61' ' ' VAL . 2.8 t -64.9 -43.27 96.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 60.439999999999998 109.268 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -70.73 -7.86 62.44 Favored Glycine 0 CA--C 1.528 0.897 0 O-C-N 124.422 1.077 . . . . 73.230000000000004 111.038 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . 0.426 ' CB ' ' HG ' ' A' ' 55' ' ' LEU . 8.7 mt-30 -99.26 -23.88 15.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.449 0.735 . . . . 74.530000000000001 110.226 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.738 ' CD1' HG11 ' A' ' 51' ' ' VAL . 16.0 t80 -77.41 -53.35 7.76 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.518 1.136 . . . . 73.030000000000001 110.936 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.666 HG23 ' CG1' ' A' ' 78' ' ' ILE . 50.8 t -39.24 -36.13 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.423 1.077 . . . . 73.010000000000005 109.315 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.547 ' CG ' ' N ' ' A' ' 63' ' ' VAL . 0.4 OUTLIER -58.25 -66.4 0.49 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.531 1.144 . . . . 74.540000000000006 111.016 -179.972 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.738 HG11 ' C ' ' B' ' 629' ' ' ILE . 77.0 t -44.01 -32.86 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.45 1.094 . . . . 65.319999999999993 109.234 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.706 HD11 ' CE2' ' A' ' 49' ' ' TYR . 28.7 mm -69.28 -65.3 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.403 1.064 . . . . 74.049999999999997 109.35 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.457 ' O ' ' N ' ' A' ' 69' ' ' MET . 4.2 tpp85 -44.86 -25.83 0.34 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.458 1.099 . . . . 63.25 110.284 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.461 ' HD3' ' CD1' ' A' ' 62' ' ' TYR . 0.0 OUTLIER -71.79 -44.95 63.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 71.450000000000003 109.237 -179.936 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . 0.549 ' NE ' ' HD2' ' A' ' 45' ' ' ASP . 0.2 OUTLIER -57.92 -39.76 78.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 74.150000000000006 110.305 -179.984 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.681 HD12 ' CD1' ' A' ' 76' ' ' ILE . 3.3 pt -101.32 6.6 9.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.523 1.14 . . . . 74.209999999999994 109.336 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' MET . . . . . 0.457 ' N ' ' O ' ' A' ' 65' ' ' ARG . 0.0 OUTLIER 33.89 36.15 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.565 1.166 . . . . 64.340000000000003 110.95 -179.976 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.5 HD12 ' HA ' ' A' ' 70' ' ' LEU . 5.4 tp -50.74 140.54 19.43 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 62.43 109.303 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 167.7 26.44 Favored 'Trans proline' 0 C--N 1.359 1.102 0 O-C-N 124.555 1.818 . . . . 75.310000000000002 110.963 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 0.62 8.7 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.527 1.803 . . . . 73.310000000000002 110.966 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -97.58 5.24 49.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.413 1.071 . . . . 75.109999999999999 110.252 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -124.26 -179.02 4.28 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.514 1.134 . . . . 74.239999999999995 109.299 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -140.18 171.96 13.42 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.524 1.14 . . . . 54.009999999999998 109.296 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.723 HD12 ' CD2' ' A' ' 109' ' ' TYR . 1.4 tt -163.12 114.32 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 71.129999999999995 109.324 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . 0.66 ' HB3' HD22 ' A' ' 84' ' ' LEU . 66.6 m-85 -110.58 137.46 48.24 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.48 1.112 . . . . 70.230000000000004 111.067 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.666 ' CG1' HG23 ' A' ' 61' ' ' VAL . 7.5 mm -84.59 132.41 31.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.108 . . . . 70.040000000000006 109.315 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -123.39 123.7 41.27 Favored 'General case' 0 C--N 1.323 -0.563 0 O-C-N 124.53 1.144 . . . . 63.119999999999997 111.062 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.773 ' O ' HG23 ' A' ' 83' ' ' THR . 2.2 t -126.97 107.19 16.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.533 1.145 . . . . 75.209999999999994 109.265 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . 0.599 ' ND2' ' CE1' ' A' ' 98' ' ' HIS . 1.9 m-80 68.91 21.07 7.69 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.413 1.071 . . . . 74.420000000000002 109.325 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . 0.497 ' CB ' ' O ' ' A' ' 81' ' ' ASN . 1.8 m-20 82.04 24.08 0.22 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.125 . . . . 75.129999999999995 109.278 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' THR . . . . . 0.773 HG23 ' O ' ' A' ' 80' ' ' VAL . 1.2 t -127.09 142.63 51.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.43 1.081 . . . . 74.25 110.408 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.66 HD22 ' HB3' ' A' ' 77' ' ' PHE . 2.0 mt -101.38 108.15 53.97 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 64.219999999999999 109.278 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -74.91 155.74 43.38 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.514 1.797 . . . . 73.140000000000001 110.944 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . 0.729 ' HD2' ' HB2' ' A' ' 89' ' ' ALA . 18.6 Cg_endo -74.96 177.68 8.25 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.477 1.777 . . . . 70.439999999999998 110.966 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 8.6 p -78.89 -32.77 45.97 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.561 1.163 . . . . 62.409999999999997 110.32 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -80.53 3.47 21.56 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.562 1.164 . . . . 71.439999999999998 109.32 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . 1.073 ' HB1' HD12 ' A' ' 94' ' ' ILE . . . -75.94 60.58 1.39 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 73.430000000000007 109.4 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 1.043 ' CD2' HG23 ' A' ' 56' ' ' THR . 14.7 mt -31.12 120.46 0.22 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.461 1.1 . . . . 71.209999999999994 109.274 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' MET . . . . . 0.909 ' SD ' HG22 ' A' ' 51' ' ' VAL . 0.0 OUTLIER -34.7 -36.82 0.05 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 71.209999999999994 110.969 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' SER . . . . . 0.419 ' N ' ' O ' ' A' ' 90' ' ' LEU . 7.3 t -58.9 -59.18 5.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 61.219999999999999 109.999 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -59.2 -16.05 18.39 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.459 1.099 . . . . 70.439999999999998 109.229 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 1.073 HD12 ' HB1' ' A' ' 89' ' ' ALA . 19.0 mm -86.43 -38.31 12.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.553 1.158 . . . . 61.530000000000001 109.344 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' TYR . . . . . 0.783 ' CD2' HD21 ' A' ' 105' ' ' LEU . 9.3 t80 -80.42 -6.06 57.48 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 52.140000000000001 110.976 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . 0.444 ' O ' ' CG ' ' A' ' 96' ' ' GLN . 1.5 tt0 -101.67 -10.38 20.06 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.47 1.106 . . . . 73.329999999999998 110.308 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -119.31 -8.17 10.13 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.135 . . . . 70.129999999999995 110.307 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . 0.599 ' CE1' ' ND2' ' A' ' 81' ' ' ASN . 35.4 m-70 -127.7 16.83 6.93 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.101 . . . . 62.030000000000001 109.653 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . 0.475 ' HB3' ' O ' ' A' ' 95' ' ' TYR . 0.0 OUTLIER -57.74 157.66 7.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.099 . . . . 60.420000000000002 109.34 179.938 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -128.56 173.08 10.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 64.510000000000005 109.352 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 13.1 mtpt -58.65 -38.9 79.14 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.447 1.092 . . . . 74.239999999999995 109.279 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . 0.836 ' CG ' ' HH ' ' A' ' 106' ' ' TYR . 0.4 OUTLIER -71.65 -12.36 61.3 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 52.350000000000001 109.343 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . 0.478 ' O ' ' CZ ' ' A' ' 95' ' ' TYR . . . 88.06 -39.49 3.11 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.562 1.164 . . . . 42.140000000000001 110.927 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . 0.553 ' CD1' ' HG2' ' A' ' 14' ' ' ARG . 15.5 m-85 -60.83 156.31 17.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.569 0.805 . . . . 73.230000000000004 110.926 -179.881 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.783 HD21 ' CD2' ' A' ' 95' ' ' TYR . 0.2 OUTLIER -96.64 146.94 24.39 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.454 1.096 . . . . 74.420000000000002 109.238 -179.944 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . 0.836 ' HH ' ' CG ' ' A' ' 102' ' ' ASP . 78.9 m-85 -124.7 96.43 4.89 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.474 1.109 . . . . 64.400000000000006 110.944 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . 0.705 HG21 HG23 ' A' ' 80' ' ' VAL . 11.2 p -108.86 171.55 2.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.517 1.135 . . . . 71.319999999999993 109.284 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' THR . . . . . 0.538 ' H ' HG23 ' A' ' 107' ' ' VAL . 0.6 OUTLIER -153.21 163.62 39.56 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.533 1.145 . . . . 74.209999999999994 110.468 179.912 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' TYR . . . . . 0.723 ' CD2' HD12 ' A' ' 76' ' ' ILE . 23.6 p90 -141.21 138.37 33.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 63.539999999999999 110.967 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' SER . . . . . 0.568 ' HB2' ' HB3' ' A' ' 36' ' ' ALA . 38.2 t -138.29 120.48 15.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.546 1.153 . . . . 73.5 110.004 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' GLY . . . . . 0.761 ' H ' ' HG ' ' A' ' 39' ' ' SER . . . -38.76 -31.59 0.13 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.571 1.169 . . . . 54.340000000000003 111.005 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 -99.68 151.1 21.6 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.468 0.746 . . . . 65.25 110.333 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . 0.546 HD22 HD13 ' A' ' 84' ' ' LEU . 35.8 t-20 . . . . . 0 C--N 1.324 -0.516 0 O-C-N 124.447 1.092 . . . . 71.129999999999995 109.313 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 629' ' ' ILE . . . . . 0.738 ' C ' HG11 ' A' ' 63' ' ' VAL . 1.3 pp . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.291 -0.633 . . . . 61.409999999999997 109.291 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 630' ' ' ALA . . . . . 0.718 ' HA ' HG22 ' A' ' 63' ' ' VAL . . . . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.496 1.122 . . . . 73.25 109.352 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.866 HG21 HH21 ' A' ' 47' ' ' ARG . 23.0 p . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 110.385 -0.228 . . . . 74.439999999999998 110.385 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . 0.606 ' CE1' ' OH ' ' A' ' 9' ' ' TYR . 6.1 t80 -63.68 -33.26 75.23 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.453 1.095 . . . . 75.109999999999999 110.924 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.455 ' NZ ' ' CE1' ' A' ' 106' ' ' TYR . 0.1 OUTLIER -78.68 -37.56 41.44 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.551 1.157 . . . . 72.109999999999999 109.289 -179.976 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 1.9 t -69.84 -23.5 63.3 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.526 1.141 . . . . 63.350000000000001 109.986 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . 0.469 ' HB3' ' CD1' ' A' ' 9' ' ' TYR . 7.2 tp10 -44.04 -58.14 2.98 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.564 1.165 . . . . 75.049999999999997 110.349 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . 0.606 ' OH ' ' CE1' ' A' ' 5' ' ' PHE . 1.2 p90 -120.19 166.07 16.25 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.601 1.188 . . . . 62.130000000000003 110.999 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . 0.442 ' HA ' ' NH2' ' A' ' 14' ' ' ARG . 18.4 Cg_endo -75.0 171.69 17.84 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.41 1.742 . . . . 44.439999999999998 111.066 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.457 ' O ' ' N ' ' A' ' 14' ' ' ARG . 12.3 t80 -55.83 -55.44 32.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 73.120000000000005 110.976 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -39.42 -29.58 0.05 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 72.25 110.264 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.424 ' N ' ' O ' ' A' ' 11' ' ' PHE . 4.1 tppt? -82.65 -49.29 9.97 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.468 1.105 . . . . 72.310000000000002 109.297 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.457 ' N ' ' O ' ' A' ' 11' ' ' PHE . 11.6 mtt180 -56.44 -27.33 56.43 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.46 1.1 . . . . 72.400000000000006 110.302 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 23.5 pttt -82.79 -44.17 15.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.444 1.09 . . . . 63.020000000000003 109.332 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.65 -30.11 71.13 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.459 1.099 . . . . 52.130000000000003 109.311 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.972 ' HE2' HH21 ' A' ' 20' ' ' ARG . 30.1 tp10 -72.74 -58.91 2.99 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.466 1.104 . . . . 64.25 110.386 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.594 ' OG ' ' CD2' ' A' ' 104' ' ' PHE . 0.9 OUTLIER -56.32 -18.27 10.27 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.484 1.115 . . . . 73.400000000000006 109.998 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -69.91 -33.15 71.81 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.466 1.104 . . . . 72.310000000000002 110.372 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.972 HH21 ' HE2' ' A' ' 17' ' ' GLU . 26.7 mtm180 -89.76 -36.5 15.12 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.486 1.116 . . . . 74.030000000000001 110.347 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 13.0 mt -58.05 -21.84 17.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 70.129999999999995 109.29 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -74.65 -27.19 60.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 53.32 109.346 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -91.25 -19.78 22.64 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.123 . . . . 74.040000000000006 109.315 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.602 ' O ' ' CD1' ' A' ' 25' ' ' PHE . 5.6 mtp85 -90.39 -31.82 16.7 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.456 1.097 . . . . 72.200000000000003 110.277 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.602 ' CD1' ' O ' ' A' ' 24' ' ' ARG . 5.8 m-85 -153.19 86.45 4.07 Favored Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.433 1.083 . . . . 64.319999999999993 111.074 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -16.39 20.17 Favored 'Trans proline' 0 C--N 1.361 1.215 0 O-C-N 124.481 1.779 . . . . 74.200000000000003 110.977 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.1 p30 -109.91 49.85 0.82 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 72.439999999999998 109.356 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.738 ' HB3' HD11 ' A' ' 50' ' ' LEU . 5.0 mmt-85 -134.63 -178.17 4.94 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 75.129999999999995 110.358 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.616 HG23 ' CB ' ' A' ' 95' ' ' TYR . 37.1 mm -145.27 97.4 4.76 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 73.209999999999994 109.255 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.587 ' HD2' ' CE2' ' A' ' 95' ' ' TYR . 18.2 Cg_endo -74.95 124.21 8.48 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.522 1.801 . . . . 64.019999999999996 110.963 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.508 HG23 ' O ' ' A' ' 49' ' ' TYR . 0.7 OUTLIER -134.17 173.34 14.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.435 1.085 . . . . 75.340000000000003 109.279 179.963 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.455 HD11 ' O ' ' A' ' 31' ' ' VAL . 6.4 mm -137.88 103.6 2.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.547 1.154 . . . . 65.239999999999995 109.305 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.587 ' HG ' ' CD1' ' A' ' 64' ' ' ILE . 0.5 OUTLIER -75.56 129.05 36.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.445 1.091 . . . . 43.200000000000003 108.271 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.672 ' HB3' HG21 ' A' ' 108' ' ' THR . 5.7 tm-20 -121.26 163.82 17.97 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.544 1.152 . . . . 74.129999999999995 110.198 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.552 ' HG2' ' CE1' ' A' ' 109' ' ' TYR . 0.0 OUTLIER -121.09 112.53 18.81 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.451 1.095 . . . . 74.109999999999999 109.269 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -51.32 166.43 0.11 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.555 1.16 . . . . 61.539999999999999 109.332 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.408 ' CG ' ' N ' ' A' ' 38' ' ' LYS . 14.9 pt-20 -92.36 -48.39 6.69 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.582 1.176 . . . . 72.099999999999994 110.259 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.408 ' N ' ' CG ' ' A' ' 37' ' ' GLU . 53.6 mttm -56.49 -23.16 37.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 70.129999999999995 109.339 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.501 ' HG ' ' HD3' ' A' ' 35' ' ' LYS . 1.2 t -57.5 155.87 8.89 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.505 1.128 . . . . 61.219999999999999 109.961 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -115.58 13.83 16.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.133 . . . . 65.120000000000005 109.323 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.604 HD12 ' CE1' ' A' ' 109' ' ' TYR . 0.1 OUTLIER -90.92 163.5 29.44 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.501 1.125 . . . . 75.430000000000007 109.327 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . 0.501 ' O ' HG21 ' A' ' 68' ' ' ILE . 18.4 Cg_endo -74.91 130.71 13.63 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.589 1.836 . . . . 64.400000000000006 111.068 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -62.76 146.63 52.01 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 74.430000000000007 110.336 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 1.126 HD12 ' HH ' ' A' ' 49' ' ' TYR . 5.4 tt -72.54 172.68 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.545 1.153 . . . . 73.530000000000001 109.286 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -74.68 -45.75 42.39 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.448 1.092 . . . . 74.129999999999995 109.373 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.517 ' N ' ' CD ' ' A' ' 46' ' ' LYS . 0.0 OUTLIER -153.08 161.83 42.04 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.471 1.107 . . . . 72.310000000000002 109.311 179.956 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.866 HH21 HG21 ' A' ' 4' ' ' THR . 12.8 mtt-85 -108.42 94.79 5.25 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.435 1.084 . . . . 73.310000000000002 110.265 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.758 ' HZ2' ' HB2' ' A' ' 50' ' ' LEU . 3.0 tptt -167.31 108.72 0.63 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 65.409999999999997 109.362 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 1.126 ' HH ' HD12 ' A' ' 44' ' ' ILE . 53.5 m-85 -140.94 113.47 8.13 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.448 1.092 . . . . 72.340000000000003 111.03 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.758 ' HB2' ' HZ2' ' A' ' 48' ' ' LYS . 35.4 tp -100.62 78.15 1.96 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.344 1.028 . . . . 74.329999999999998 109.315 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.587 HG22 ' HE3' ' A' ' 91' ' ' MET . 16.4 m -72.79 153.17 91.32 Favored Pre-proline 0 C--N 1.324 -0.531 0 O-C-N 124.472 1.107 . . . . 63.399999999999999 109.262 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 178.48 7.19 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.49 1.784 . . . . 72.439999999999998 111.005 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.52 ' HB1' ' HB2' ' A' ' 92' ' ' SER . . . -90.71 18.66 6.17 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.497 1.123 . . . . 72.450000000000003 109.3 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.444 ' N ' ' OD1' ' A' ' 54' ' ' ASP . 0.0 OUTLIER -120.65 -38.84 2.81 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.521 1.138 . . . . 72.409999999999997 109.253 -179.922 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.857 HD13 ' HB1' ' B' ' 630' ' ' ALA . 0.5 OUTLIER -59.55 132.87 55.3 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.517 1.135 . . . . 73.349999999999994 109.249 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.588 HG23 ' CD1' ' A' ' 90' ' ' LEU . 3.0 p -91.93 -173.45 3.49 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.473 1.108 . . . . 33.539999999999999 110.31 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 2.8 t -74.41 -42.37 49.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 60.439999999999998 109.271 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -73.5 -5.74 68.76 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.505 1.128 . . . . 73.230000000000004 111.045 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . 0.424 ' CB ' ' HG ' ' A' ' 55' ' ' LEU . 4.5 mm100 -98.18 -24.43 15.28 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.552 0.795 . . . . 74.530000000000001 110.265 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 1.037 ' CE1' HD12 ' A' ' 64' ' ' ILE . 1.6 t80 -79.23 -40.26 31.09 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.516 1.135 . . . . 73.030000000000001 111.031 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.784 HG13 ' CG2' ' A' ' 76' ' ' ILE . 88.3 t -53.66 -31.53 19.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 73.010000000000005 109.325 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.584 ' CE1' ' HD2' ' A' ' 66' ' ' LYS . 0.1 OUTLIER -59.11 -30.85 68.42 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.515 1.134 . . . . 74.540000000000006 111.057 179.942 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.538 HG22 ' C ' ' B' ' 630' ' ' ALA . 18.1 t -84.0 -46.06 18.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.13 . . . . 65.319999999999993 109.306 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 1.037 HD12 ' CE1' ' A' ' 60' ' ' PHE . 15.0 mm -60.61 -30.4 46.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 74.049999999999997 109.237 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 7.4 tpp85 -83.62 -3.44 57.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.397 1.061 . . . . 63.25 110.331 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.584 ' HD2' ' CE1' ' A' ' 62' ' ' TYR . 6.3 mttp -93.38 -49.1 6.1 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.522 1.138 . . . . 71.450000000000003 109.327 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 2.5 mmp_? -49.86 -66.14 0.44 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.541 1.151 . . . . 74.150000000000006 110.359 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.512 ' O ' ' CG ' ' A' ' 69' ' ' MET . 5.9 pt -73.68 -4.46 5.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.151 . . . . 74.209999999999994 109.231 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' MET . . . . . 0.512 ' CG ' ' O ' ' A' ' 68' ' ' ILE . 2.7 ptt? 42.97 44.05 3.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 64.340000000000003 110.935 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.45 HD13 HD13 ' A' ' 68' ' ' ILE . 5.0 tp -50.36 141.03 16.86 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.663 1.227 . . . . 62.43 109.294 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 167.8 26.23 Favored 'Trans proline' 0 C--N 1.361 1.213 0 O-C-N 124.392 1.733 . . . . 75.310000000000002 110.998 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 0.77 8.53 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.525 1.803 . . . . 73.310000000000002 110.996 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -97.99 2.64 49.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.143 . . . . 75.109999999999999 110.292 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -125.19 -178.94 4.37 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.514 1.134 . . . . 74.239999999999995 109.322 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -140.03 174.56 10.39 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.564 1.165 . . . . 54.009999999999998 109.318 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.784 ' CG2' HG13 ' A' ' 61' ' ' VAL . 1.2 tt -159.36 128.41 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.565 1.165 . . . . 71.129999999999995 109.315 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . 0.71 ' HB3' HD11 ' A' ' 84' ' ' LEU . 58.6 m-85 -126.8 133.36 50.82 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.515 1.135 . . . . 70.230000000000004 110.98 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.591 HG23 ' CG2' ' A' ' 107' ' ' VAL . 5.2 mm -85.36 128.21 39.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.579 1.174 . . . . 70.040000000000006 109.328 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -118.76 120.21 36.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 63.119999999999997 110.999 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.778 HG23 ' ND2' ' A' ' 81' ' ' ASN . 9.1 p -121.39 106.33 18.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.384 1.052 . . . . 75.209999999999994 109.284 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . 0.778 ' ND2' HG23 ' A' ' 80' ' ' VAL . 7.0 m-80 73.31 34.32 1.02 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 74.420000000000002 109.339 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 67.04 10.98 8.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 75.129999999999995 109.262 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' THR . . . . . 0.514 ' O ' ' CG2' ' A' ' 83' ' ' THR . 0.5 OUTLIER -121.71 110.8 16.39 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 74.25 110.417 -179.958 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.71 HD11 ' HB3' ' A' ' 77' ' ' PHE . 0.5 OUTLIER -73.66 113.91 27.22 Favored Pre-proline 0 C--N 1.326 -0.416 0 O-C-N 124.546 1.154 . . . . 64.219999999999999 109.311 -179.949 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . 0.408 ' HD3' ' O ' ' A' ' 83' ' ' THR . 18.4 Cg_endo -74.97 162.72 36.73 Favored 'Trans proline' 0 C--N 1.361 1.218 0 O-C-N 124.529 1.805 . . . . 73.140000000000001 111.012 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . 0.701 ' HG2' ' HB2' ' A' ' 89' ' ' ALA . 18.5 Cg_endo -75.02 -165.29 0.28 Allowed 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.455 1.766 . . . . 70.439999999999998 110.984 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 2.3 p -97.26 -34.37 11.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.14 . . . . 62.409999999999997 110.378 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -86.05 12.99 8.36 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 71.439999999999998 109.349 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . 0.987 ' HB1' HD12 ' A' ' 94' ' ' ILE . . . -83.04 61.67 6.15 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.511 1.132 . . . . 73.430000000000007 109.214 -179.863 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.595 ' C ' ' O ' ' A' ' 89' ' ' ALA . 0.5 OUTLIER -23.73 117.09 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.59 1.181 . . . . 71.209999999999994 109.32 179.955 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' MET . . . . . 0.587 ' HE3' HG22 ' A' ' 51' ' ' VAL . 46.4 mmm -47.85 -22.93 0.63 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.397 1.061 . . . . 71.209999999999994 110.975 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' SER . . . . . 0.52 ' HB2' ' HB1' ' A' ' 53' ' ' ALA . 0.1 OUTLIER -69.92 -41.81 74.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.128 . . . . 61.219999999999999 110.055 179.913 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -81.7 -7.9 59.64 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.462 1.101 . . . . 70.439999999999998 109.329 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.987 HD12 ' HB1' ' A' ' 89' ' ' ALA . 21.2 mm -87.19 -49.03 15.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.115 . . . . 61.530000000000001 109.238 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' TYR . . . . . 0.829 ' CD2' HD21 ' A' ' 105' ' ' LEU . 7.8 t80 -69.97 -6.11 30.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 52.140000000000001 111.033 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . 0.451 ' O ' ' CG ' ' A' ' 96' ' ' GLN . 4.5 tp60 -101.64 -9.72 20.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.577 1.173 . . . . 73.329999999999998 110.244 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -118.69 -9.3 10.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 70.129999999999995 110.277 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . 0.456 ' HD2' HG23 ' A' ' 94' ' ' ILE . 39.5 m-70 -128.28 17.54 6.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.445 1.09 . . . . 62.030000000000001 109.51 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . 0.489 ' HB3' ' O ' ' A' ' 95' ' ' TYR . 0.0 OUTLIER -56.38 159.58 3.56 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.484 1.115 . . . . 60.420000000000002 109.298 179.973 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -127.9 173.48 9.97 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 64.510000000000005 109.327 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . 0.459 ' HB3' ' HZ3' ' A' ' 101' ' ' LYS . 0.6 OUTLIER -60.88 -29.73 69.72 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.528 1.142 . . . . 74.239999999999995 109.214 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -86.58 -14.66 42.19 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.434 1.084 . . . . 52.350000000000001 109.297 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . 0.576 ' O ' ' CE2' ' A' ' 95' ' ' TYR . . . 87.71 -39.27 3.11 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.515 1.134 . . . . 42.140000000000001 111.003 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . 0.594 ' CD2' ' OG ' ' A' ' 18' ' ' SER . 9.5 m-85 -60.1 117.52 5.22 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.554 0.796 . . . . 73.230000000000004 111.048 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.829 HD21 ' CD2' ' A' ' 95' ' ' TYR . 0.2 OUTLIER -61.62 160.78 10.84 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.535 1.147 . . . . 74.420000000000002 109.294 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . 0.509 ' O ' HG21 ' A' ' 80' ' ' VAL . 52.4 m-85 -137.72 116.3 12.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.583 1.177 . . . . 64.400000000000006 110.921 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . 0.665 HG21 ' N ' ' A' ' 108' ' ' THR . 1.7 m -122.9 174.58 6.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.545 1.153 . . . . 71.319999999999993 109.342 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' THR . . . . . 0.672 HG21 ' HB3' ' A' ' 34' ' ' GLU . 1.1 m -148.97 106.89 3.69 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.512 1.132 . . . . 74.209999999999994 110.356 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' TYR . . . . . 0.725 ' CD1' HD12 ' A' ' 76' ' ' ILE . 14.8 p90 -94.81 122.42 37.41 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.593 1.183 . . . . 63.539999999999999 111.029 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -136.06 154.22 51.1 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.436 1.085 . . . . 73.5 109.959 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -77.7 2.13 64.77 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.531 1.144 . . . . 54.340000000000003 110.962 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -121.56 135.05 55.03 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.465 0.744 . . . . 65.25 110.321 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 20.4 t-20 . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.462 1.101 . . . . 71.129999999999995 109.302 -179.976 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 629' ' ' ILE . . . . . 0.491 ' C ' ' CD1' ' B' ' 629' ' ' ILE . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 109.255 -0.646 . . . . 61.409999999999997 109.255 . . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 630' ' ' ALA . . . . . 0.857 ' HB1' HD13 ' A' ' 55' ' ' LEU . . . . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.484 1.115 . . . . 73.25 109.278 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.653 ' HG1' ' HA ' ' A' ' 46' ' ' LYS . 6.0 p . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 110.413 -0.217 . . . . 74.439999999999998 110.413 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . 0.614 ' CZ ' ' OH ' ' A' ' 9' ' ' TYR . 83.4 t80 -81.66 -15.89 53.1 Favored 'General case' 0 C--N 1.323 -0.577 0 O-C-N 124.572 1.17 . . . . 75.109999999999999 110.989 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.698 ' HB3' HH21 ' A' ' 47' ' ' ARG . 0.1 OUTLIER -101.1 -28.96 12.41 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.597 1.186 . . . . 72.109999999999999 109.32 179.955 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -81.36 4.79 19.49 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.551 1.157 . . . . 63.350000000000001 109.894 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . 0.48 ' HB3' ' CD1' ' A' ' 9' ' ' TYR . 51.5 tt0 -81.86 -58.74 2.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.564 1.165 . . . . 75.049999999999997 110.322 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . 0.614 ' OH ' ' CZ ' ' A' ' 5' ' ' PHE . 1.3 p90 -120.45 165.78 17.32 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.443 1.089 . . . . 62.130000000000003 110.967 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 179.48 6.05 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.49 1.784 . . . . 44.439999999999998 111.027 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.477 ' CE2' ' HB3' ' A' ' 102' ' ' ASP . 2.9 t80 -68.8 -43.73 75.03 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.456 1.097 . . . . 73.120000000000005 110.968 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -58.05 -16.0 11.31 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.425 1.078 . . . . 72.25 110.269 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 6.4 tppt? -95.72 -48.0 5.96 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.594 1.184 . . . . 72.310000000000002 109.365 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.662 ' NH1' ' CE1' ' A' ' 104' ' ' PHE . 0.0 OUTLIER -64.2 -24.44 67.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.455 1.097 . . . . 72.400000000000006 110.326 179.975 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.432 ' N ' ' HG3' ' A' ' 14' ' ' ARG . 53.5 pttt -74.14 -44.31 54.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.587 1.179 . . . . 63.020000000000003 109.358 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -57.28 -22.0 38.59 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.445 1.091 . . . . 52.130000000000003 109.264 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -72.51 -47.59 47.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.096 . . . . 64.25 110.317 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.525 ' HB3' ' CE1' ' A' ' 104' ' ' PHE . 11.3 p -68.03 -11.36 58.81 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.538 1.149 . . . . 73.400000000000006 109.947 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -77.48 -26.09 51.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.564 1.165 . . . . 72.310000000000002 110.298 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 54.4 mtm180 -101.96 -33.68 9.65 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.479 1.112 . . . . 74.030000000000001 110.292 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 6.9 mt -59.82 -22.07 23.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.65 1.219 . . . . 70.129999999999995 109.318 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -77.95 -22.42 49.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 53.32 109.398 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -95.87 -14.15 23.4 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 74.040000000000006 109.341 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.421 ' CZ ' ' CZ ' ' A' ' 25' ' ' PHE . 10.1 mtm180 -97.67 -59.66 1.73 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 72.200000000000003 110.343 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.421 ' CZ ' ' CZ ' ' A' ' 24' ' ' ARG . 3.5 m-85 -126.15 85.3 59.98 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 64.319999999999993 111.045 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -26.81 10.67 Favored 'Trans proline' 0 C--N 1.359 1.102 0 O-C-N 124.528 1.804 . . . . 74.200000000000003 111.002 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 12.0 p30 -92.07 36.06 0.98 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.534 1.146 . . . . 72.439999999999998 109.323 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.571 ' HB3' HD11 ' A' ' 50' ' ' LEU . 4.1 mmt85 -122.54 175.78 6.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 75.129999999999995 110.254 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.661 HG23 ' CB ' ' A' ' 95' ' ' TYR . 28.3 mm -144.51 96.41 5.24 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 73.209999999999994 109.282 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.464 ' HB3' HD13 ' A' ' 50' ' ' LEU . 18.6 Cg_endo -75.05 142.34 27.58 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.463 1.77 . . . . 64.019999999999996 111.029 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.829 HG21 ' HB3' ' A' ' 105' ' ' LEU . 6.3 p -161.58 147.35 4.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.13 . . . . 75.340000000000003 109.304 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.747 HG23 ' O ' ' A' ' 47' ' ' ARG . 16.0 mm -113.12 114.61 47.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.485 1.116 . . . . 65.239999999999995 109.296 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.463 ' SG ' HG23 ' A' ' 107' ' ' VAL . 1.2 t -89.17 143.99 26.44 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 43.200000000000003 108.285 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.975 ' HB3' HG21 ' A' ' 108' ' ' THR . 49.2 tt0 -133.22 154.22 50.85 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.462 1.101 . . . . 74.129999999999995 110.287 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.558 ' HG2' ' CE2' ' A' ' 109' ' ' TYR . 0.0 OUTLIER -99.24 125.43 44.85 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.474 1.109 . . . . 74.109999999999999 109.291 179.979 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.628 ' HB3' ' HB2' ' A' ' 39' ' ' SER . . . -60.73 142.29 56.01 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.541 1.151 . . . . 61.539999999999999 109.293 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.425 ' CG ' ' N ' ' A' ' 38' ' ' LYS . 14.8 pt-20 -68.02 -52.64 33.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.462 1.101 . . . . 72.099999999999994 110.258 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.425 ' N ' ' CG ' ' A' ' 37' ' ' GLU . 40.1 mttp -55.62 -35.71 66.17 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.546 1.154 . . . . 70.129999999999995 109.276 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.628 ' HB2' ' HB3' ' A' ' 36' ' ' ALA . 8.6 t -39.36 156.23 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.451 1.094 . . . . 61.219999999999999 109.986 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -116.09 10.24 14.96 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.543 1.152 . . . . 65.120000000000005 109.271 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.558 HD12 ' CE2' ' A' ' 109' ' ' TYR . 0.1 OUTLIER -91.28 164.24 25.7 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.447 1.092 . . . . 75.430000000000007 109.376 179.952 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 129.79 12.67 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.484 1.781 . . . . 64.400000000000006 111.002 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -49.24 171.07 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.625 1.203 . . . . 74.430000000000007 110.319 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.745 HG22 ' HH ' ' A' ' 109' ' ' TYR . 3.5 tt -102.77 163.59 3.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.109 . . . . 73.530000000000001 109.301 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . 0.447 ' N ' ' CG1' ' A' ' 44' ' ' ILE . 0.9 OUTLIER -54.77 -59.67 4.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 74.129999999999995 109.377 179.981 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.653 ' HA ' ' HG1' ' A' ' 4' ' ' THR . 0.0 OUTLIER -150.06 178.52 8.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 72.310000000000002 109.321 179.936 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.747 ' O ' HG23 ' A' ' 32' ' ' ILE . 2.7 mtm180 -107.87 93.38 4.51 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.505 1.128 . . . . 73.310000000000002 110.308 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.532 ' HB2' ' CD2' ' A' ' 5' ' ' PHE . 1.1 tptt -168.2 123.62 0.99 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.558 1.161 . . . . 65.409999999999997 109.269 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.696 ' CE2' HD11 ' A' ' 64' ' ' ILE . 33.5 m-85 -149.37 110.57 4.4 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.551 1.157 . . . . 72.340000000000003 111.009 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.571 HD11 ' HB3' ' A' ' 28' ' ' ARG . 12.1 tp -103.0 76.67 1.49 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.148 . . . . 74.329999999999998 109.296 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.937 HG22 ' SD ' ' A' ' 91' ' ' MET . 5.9 m -76.55 153.12 83.6 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.12 . . . . 63.399999999999999 109.287 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -178.39 4.14 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.476 1.777 . . . . 72.439999999999998 110.96 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -92.73 18.02 9.48 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.453 1.096 . . . . 72.450000000000003 109.293 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -119.98 -38.73 2.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.544 1.153 . . . . 72.409999999999997 109.242 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.825 HD21 ' HB1' ' B' ' 630' ' ' ALA . 0.0 OUTLIER -58.29 133.52 55.76 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.448 1.092 . . . . 73.349999999999994 109.324 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.544 ' N ' HD12 ' A' ' 55' ' ' LEU . 0.1 OUTLIER -98.86 -170.72 1.97 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.44 1.088 . . . . 33.539999999999999 110.412 179.959 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 2.8 t -75.4 -62.98 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 60.439999999999998 109.289 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -53.48 -18.51 7.52 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.598 1.186 . . . . 73.230000000000004 111.032 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . 0.53 ' CB ' ' CD1' ' A' ' 55' ' ' LEU . 31.5 mt-30 -97.22 -24.98 15.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.544 0.79 . . . . 74.530000000000001 110.276 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.622 ' CZ ' HD12 ' A' ' 64' ' ' ILE . 34.3 t80 -69.05 -36.86 78.17 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.458 1.099 . . . . 73.030000000000001 111.042 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.745 HG13 ' CG2' ' A' ' 76' ' ' ILE . 94.2 t -56.43 -45.44 81.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 73.010000000000005 109.308 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.592 ' CD1' ' O ' ' A' ' 62' ' ' TYR . 0.1 OUTLIER -45.92 -25.58 0.56 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.551 1.157 . . . . 74.540000000000006 111.025 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.822 HG22 ' C ' ' B' ' 630' ' ' ALA . 54.4 t -86.65 -36.75 10.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 O-C-N 124.594 1.184 . . . . 65.319999999999993 109.215 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.696 HD11 ' CE2' ' A' ' 49' ' ' TYR . 35.4 mm -64.56 -45.7 94.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.561 1.163 . . . . 74.049999999999997 109.306 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.461 ' CD ' ' HB3' ' A' ' 70' ' ' LEU . 6.2 tpp85 -68.07 -8.3 36.73 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.477 1.111 . . . . 63.25 110.237 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.588 ' HD2' ' CE1' ' A' ' 62' ' ' TYR . 9.2 mttp -88.73 -40.2 13.41 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.447 1.092 . . . . 71.450000000000003 109.321 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -59.23 -39.93 84.31 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.552 1.158 . . . . 74.150000000000006 110.323 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.451 HD12 ' CD1' ' A' ' 76' ' ' ILE . 2.8 pt -104.29 3.15 10.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.528 1.143 . . . . 74.209999999999994 109.301 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' MET . . . . . 0.419 ' CG ' ' O ' ' A' ' 68' ' ' ILE . 3.7 ptp 40.71 29.09 0.06 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.445 1.09 . . . . 64.340000000000003 111.001 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.461 ' HB3' ' CD ' ' A' ' 65' ' ' ARG . 5.6 tp -49.29 140.34 12.95 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 62.43 109.32 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' A' ' 70' ' ' LEU . 18.6 Cg_endo -74.89 170.3 20.7 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.463 1.77 . . . . 75.310000000000002 111.101 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 -1.73 11.61 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.441 1.758 . . . . 73.310000000000002 111.046 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -83.95 -0.04 49.83 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.452 1.095 . . . . 75.109999999999999 110.247 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 18.4 mttp -127.41 -178.96 4.66 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.485 1.116 . . . . 74.239999999999995 109.27 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -138.05 163.67 31.02 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.434 1.084 . . . . 54.009999999999998 109.339 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.745 ' CG2' HG13 ' A' ' 61' ' ' VAL . 2.3 tt -154.31 134.47 4.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.432 1.083 . . . . 71.129999999999995 109.316 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . 0.69 ' HB3' HD11 ' A' ' 84' ' ' LEU . 31.3 m-85 -133.68 135.1 43.86 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.584 1.177 . . . . 70.230000000000004 110.939 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.626 ' CG2' HG22 ' A' ' 107' ' ' VAL . 3.6 mm -86.57 121.93 38.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 70.040000000000006 109.211 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . 0.505 ' CZ ' HD13 ' A' ' 84' ' ' LEU . 4.9 m-85 -112.88 125.04 53.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 63.119999999999997 110.951 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.476 HG11 ' CD2' ' A' ' 98' ' ' HIS . 2.1 t -120.09 109.47 26.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.496 1.123 . . . . 75.209999999999994 109.327 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . 0.487 ' O ' ' CB ' ' A' ' 82' ' ' ASP . 2.1 m-80 70.44 17.95 6.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.13 . . . . 74.420000000000002 109.301 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . 0.487 ' CB ' ' O ' ' A' ' 81' ' ' ASN . 3.2 m-20 80.66 27.22 0.25 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 75.129999999999995 109.298 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' THR . . . . . 0.487 ' O ' ' CG2' ' A' ' 83' ' ' THR . 0.6 OUTLIER -136.6 113.82 10.69 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.454 1.096 . . . . 74.25 110.335 -179.952 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.69 HD11 ' HB3' ' A' ' 77' ' ' PHE . 0.3 OUTLIER -73.79 113.88 27.18 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.484 1.115 . . . . 64.219999999999999 109.292 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . 0.405 ' HD3' ' O ' ' A' ' 83' ' ' THR . 18.3 Cg_endo -74.98 170.59 20.08 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.505 1.792 . . . . 73.140000000000001 110.977 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . 0.657 ' HD2' ' HB2' ' A' ' 89' ' ' ALA . 18.3 Cg_endo -75.09 -169.32 0.62 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.554 1.818 . . . . 70.439999999999998 110.935 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 3.9 p -93.87 -34.13 13.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.56 1.163 . . . . 62.409999999999997 110.354 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -84.38 8.76 15.13 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.549 1.155 . . . . 71.439999999999998 109.273 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . 0.996 ' HB1' HD12 ' A' ' 94' ' ' ILE . . . -75.72 61.02 1.34 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 73.430000000000007 109.308 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.531 ' C ' ' O ' ' A' ' 89' ' ' ALA . 0.4 OUTLIER -29.69 117.61 0.13 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.589 1.181 . . . . 71.209999999999994 109.321 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' MET . . . . . 0.937 ' SD ' HG22 ' A' ' 51' ' ' VAL . 0.5 OUTLIER -36.62 -31.18 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.54 1.15 . . . . 71.209999999999994 110.962 -179.923 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' SER . . . . . 0.469 ' N ' ' O ' ' A' ' 90' ' ' LEU . 1.5 t -64.69 -56.81 11.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 61.219999999999999 110.033 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . 0.412 ' N ' ' O ' ' A' ' 90' ' ' LEU . . . -60.97 -15.06 27.23 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.52 1.138 . . . . 70.439999999999998 109.275 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.996 HD12 ' HB1' ' A' ' 89' ' ' ALA . 28.0 mm -90.27 -37.75 10.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 61.530000000000001 109.321 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' TYR . . . . . 0.661 ' CB ' HG23 ' A' ' 29' ' ' ILE . 5.9 t80 -79.07 -4.24 49.23 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 52.140000000000001 111.017 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . 0.459 ' O ' ' CG ' ' A' ' 96' ' ' GLN . 6.8 tp60 -104.41 -9.17 18.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.546 1.154 . . . . 73.329999999999998 110.264 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -120.69 -7.06 9.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.566 1.166 . . . . 70.129999999999995 110.294 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . 0.659 ' HB2' HD11 ' A' ' 105' ' ' LEU . 14.6 m-70 -123.94 11.78 9.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.443 1.089 . . . . 62.030000000000001 109.578 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . 0.512 ' HB3' ' O ' ' A' ' 95' ' ' TYR . 0.1 OUTLIER -64.94 154.87 36.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.146 . . . . 60.420000000000002 109.28 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . 0.438 ' O ' ' N ' ' A' ' 103' ' ' GLY . 1.2 m-20 -120.97 175.46 6.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.449 1.093 . . . . 64.510000000000005 109.342 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 12.9 mtpt -48.59 -38.27 20.28 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.551 1.157 . . . . 74.239999999999995 109.29 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . 0.477 ' HB3' ' CE2' ' A' ' 11' ' ' PHE . 2.0 p30 -76.55 -28.96 56.49 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.491 1.119 . . . . 52.350000000000001 109.279 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . 0.438 ' N ' ' O ' ' A' ' 100' ' ' ASP . . . 104.96 -39.27 2.9 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.475 1.109 . . . . 42.140000000000001 111.011 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . 0.662 ' CE1' ' NH1' ' A' ' 14' ' ' ARG . 9.7 m-85 -55.41 142.49 32.34 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.528 0.781 . . . . 73.230000000000004 110.92 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.829 ' HB3' HG21 ' A' ' 31' ' ' VAL . 0.2 OUTLIER -85.09 161.95 19.48 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.534 1.146 . . . . 74.420000000000002 109.218 -179.969 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . 0.513 ' HH ' ' HD2' ' A' ' 6' ' ' LYS . 57.1 m-85 -145.53 107.26 4.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 64.400000000000006 110.962 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . 0.723 HG21 ' N ' ' A' ' 108' ' ' THR . 1.9 m -117.34 179.55 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.413 1.071 . . . . 71.319999999999993 109.361 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' THR . . . . . 0.975 HG21 ' HB3' ' A' ' 34' ' ' GLU . 0.7 OUTLIER -152.52 112.32 3.96 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 74.209999999999994 110.404 179.965 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' TYR . . . . . 0.745 ' HH ' HG22 ' A' ' 44' ' ' ILE . 25.9 p90 -94.89 132.57 39.57 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.406 1.066 . . . . 63.539999999999999 111.065 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' SER . . . . . 0.522 ' OG ' ' HB2' ' A' ' 36' ' ' ALA . 0.7 OUTLIER -131.9 152.52 50.99 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.414 1.071 . . . . 73.5 110.024 179.956 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' GLY . . . . . 0.453 ' HA3' ' CG2' ' A' ' 41' ' ' ILE . . . -60.6 -46.18 94.91 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.518 1.136 . . . . 54.340000000000003 110.957 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 24.0 pt-20 -90.13 161.33 15.82 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.517 0.774 . . . . 65.25 110.261 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . 0.491 HD22 HD23 ' A' ' 84' ' ' LEU . 25.9 t-20 . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 71.129999999999995 109.302 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 629' ' ' ILE . . . . . 0.418 ' O ' HG12 ' A' ' 51' ' ' VAL . 1.4 pp . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.247 -0.649 . . . . 61.409999999999997 109.247 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 630' ' ' ALA . . . . . 0.825 ' HB1' HD21 ' A' ' 55' ' ' LEU . . . . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 73.25 109.376 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.982 ' HG1' ' CB ' ' A' ' 46' ' ' LYS . 63.9 p . . . . . 0 N--CA 1.454 -0.275 0 N-CA-C 110.357 -0.238 . . . . 74.439999999999998 110.357 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . 0.568 ' CD2' ' HD2' ' A' ' 6' ' ' LYS . 25.8 t80 -47.8 -22.4 0.54 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.429 1.081 . . . . 75.109999999999999 110.951 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 1.032 ' HZ3' HG21 ' A' ' 32' ' ' ILE . 2.0 mptm? -93.79 -31.84 14.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.144 . . . . 72.109999999999999 109.283 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' SER . . . . . 0.452 ' N ' ' O ' ' A' ' 4' ' ' THR . 27.6 t -80.4 4.29 18.5 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.553 1.158 . . . . 63.350000000000001 110.115 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . 0.475 ' OE1' ' CE2' ' A' ' 9' ' ' TYR . 0.0 OUTLIER -85.23 -63.25 1.36 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 75.049999999999997 110.302 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . 0.485 ' HB2' ' CB ' ' A' ' 13' ' ' LYS . 0.1 OUTLIER -127.37 174.21 4.54 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 62.130000000000003 111.041 179.942 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . 0.442 ' O ' ' C ' ' A' ' 11' ' ' PHE . 18.1 Cg_endo -75.1 147.8 34.05 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.508 1.794 . . . . 44.439999999999998 111.002 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.554 ' CE1' ' HB3' ' A' ' 102' ' ' ASP . 0.6 OUTLIER -34.16 -56.05 0.5 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 73.120000000000005 110.961 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.505 ' N ' ' CD2' ' A' ' 11' ' ' PHE . 14.6 mp0 -41.6 -56.99 2.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 72.25 110.292 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.485 ' CB ' ' HB2' ' A' ' 9' ' ' TYR . 0.0 OUTLIER -37.81 -41.16 0.5 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.502 1.126 . . . . 72.310000000000002 109.281 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.732 HH21 ' HE3' ' A' ' 6' ' ' LYS . 11.2 mtp-105 -69.87 -50.64 40.56 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.584 1.177 . . . . 72.400000000000006 110.347 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.426 ' N ' ' O ' ' A' ' 12' ' ' GLU . 14.8 pttt -46.19 -41.38 12.63 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.453 1.096 . . . . 63.020000000000003 109.234 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -67.87 -35.63 78.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.589 1.181 . . . . 52.130000000000003 109.304 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.451 ' N ' ' O ' ' A' ' 14' ' ' ARG . 16.4 tp10 -65.58 -54.52 26.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.361 1.038 . . . . 64.25 110.292 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.7 t -56.89 -23.45 44.78 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 124.58 1.175 . . . . 73.400000000000006 110.002 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 -72.91 -33.33 65.91 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.449 1.093 . . . . 72.310000000000002 110.315 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 43.1 mtm180 -91.33 -24.86 19.67 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.534 1.146 . . . . 74.030000000000001 110.285 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.454 HD13 ' CZ ' ' A' ' 104' ' ' PHE . 11.8 mt -59.02 -22.03 20.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.429 1.081 . . . . 70.129999999999995 109.339 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.429 ' O ' ' HB3' ' A' ' 26' ' ' PRO . . . -78.32 -24.09 46.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 53.32 109.288 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -88.89 -24.86 22.4 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 74.040000000000006 109.303 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.9 mtt180 -96.59 -61.96 1.34 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.425 1.078 . . . . 72.200000000000003 110.292 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -118.16 78.49 13.64 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.494 1.121 . . . . 64.319999999999993 111.035 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . 0.429 ' HB3' ' O ' ' A' ' 22' ' ' ALA . 18.3 Cg_endo -74.98 -36.43 2.57 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.534 1.807 . . . . 74.200000000000003 110.954 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 19.7 m-20 -90.42 40.0 0.99 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.463 1.102 . . . . 72.439999999999998 109.271 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.456 ' O ' HD11 ' A' ' 29' ' ' ILE . 6.4 mmt-85 -129.14 -178.74 4.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.146 . . . . 75.129999999999995 110.319 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.473 HG23 ' CB ' ' A' ' 95' ' ' TYR . 25.8 mm -141.5 99.51 6.35 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.526 1.142 . . . . 73.209999999999994 109.324 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.615 ' HA ' ' CD2' ' A' ' 50' ' ' LEU . 18.3 Cg_endo -74.94 121.42 6.59 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.499 1.789 . . . . 64.019999999999996 111.032 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 1.3 m -135.7 173.04 14.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.125 . . . . 75.340000000000003 109.322 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 1.032 HG21 ' HZ3' ' A' ' 6' ' ' LYS . 7.0 mm -134.63 103.23 4.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.605 1.191 . . . . 65.239999999999995 109.339 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.97 ' HG ' ' CD1' ' A' ' 64' ' ' ILE . 2.1 t -87.23 130.8 34.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.137 . . . . 43.200000000000003 108.274 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.409 ' HG3' ' NE ' ' A' ' 47' ' ' ARG . 6.9 tm-20 -145.34 162.33 37.5 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.369 1.043 . . . . 74.129999999999995 110.344 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.481 ' HZ1' ' H ' ' A' ' 41' ' ' ILE . 0.0 OUTLIER -101.44 133.25 46.36 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.489 1.118 . . . . 74.109999999999999 109.271 -179.968 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.55 177.89 0.26 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.53 1.144 . . . . 61.539999999999999 109.263 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.449 ' CG ' ' N ' ' A' ' 38' ' ' LYS . 16.5 pt-20 -96.51 -50.76 4.61 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.469 1.106 . . . . 72.099999999999994 110.246 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.449 ' N ' ' CG ' ' A' ' 37' ' ' GLU . 53.5 mttm -53.73 -36.5 62.35 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.139 . . . . 70.129999999999995 109.343 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.459 ' CA ' ' HE2' ' A' ' 112' ' ' GLU . 1.1 t -47.49 163.91 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 61.219999999999999 109.996 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 23.8 m-20 -127.8 23.31 6.21 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 65.120000000000005 109.293 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.588 HD12 ' CE2' ' A' ' 109' ' ' TYR . 0.1 OUTLIER -98.91 166.92 12.2 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.558 1.161 . . . . 75.430000000000007 109.347 179.969 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . 0.797 ' O ' HG21 ' A' ' 68' ' ' ILE . 18.2 Cg_endo -75.01 112.43 3.56 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.514 1.797 . . . . 64.400000000000006 110.962 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.438 ' HG3' ' CB ' ' A' ' 35' ' ' LYS . 26.4 tt0 -59.21 163.3 3.86 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.524 1.14 . . . . 74.430000000000007 110.253 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.514 HD12 ' HG3' ' A' ' 67' ' ' ARG . 14.8 tt -83.09 169.66 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.151 . . . . 73.530000000000001 109.326 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . 0.783 ' O ' HG22 ' A' ' 4' ' ' THR . 4.9 m-20 -71.43 -47.69 54.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.415 1.072 . . . . 74.129999999999995 109.265 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.982 ' CB ' ' HG1' ' A' ' 4' ' ' THR . 0.1 OUTLIER -143.36 162.35 35.96 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.146 . . . . 72.310000000000002 109.306 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.568 ' HB2' HG22 ' A' ' 32' ' ' ILE . 1.4 ptm180 -108.34 94.79 5.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.437 1.085 . . . . 73.310000000000002 110.312 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.665 ' NZ ' ' CE1' ' A' ' 104' ' ' PHE . 0.8 OUTLIER -167.82 122.69 1.0 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.389 1.056 . . . . 65.409999999999997 109.302 179.97 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.614 ' HE2' HG12 ' A' ' 63' ' ' VAL . 32.0 m-85 -146.88 132.0 18.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 72.340000000000003 111.046 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.615 ' CD2' ' HA ' ' A' ' 30' ' ' PRO . 3.3 mt -112.26 77.32 1.03 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 74.329999999999998 109.321 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.684 HG11 ' CD1' ' A' ' 60' ' ' PHE . 20.9 m -78.73 148.34 72.59 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.509 1.13 . . . . 63.399999999999999 109.296 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 177.02 9.12 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.456 1.766 . . . . 72.439999999999998 111.071 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -90.47 18.66 5.96 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.434 1.083 . . . . 72.450000000000003 109.3 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 69.1 m-20 -119.85 -38.43 2.96 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.129 . . . . 72.409999999999997 109.258 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 1.9 tp -57.24 137.89 55.39 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.427 1.079 . . . . 73.349999999999994 109.343 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.527 HG23 ' CD1' ' A' ' 90' ' ' LEU . 1.3 p -95.87 -158.01 0.62 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.547 1.155 . . . . 33.539999999999999 110.409 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 2.7 t -87.6 -41.64 14.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 O-C-N 124.491 1.119 . . . . 60.439999999999998 109.285 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -73.53 -6.75 71.81 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.489 1.118 . . . . 73.230000000000004 110.968 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -98.79 -24.74 14.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.381 0.695 . . . . 74.530000000000001 110.262 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.684 ' CD1' HG11 ' A' ' 51' ' ' VAL . 12.2 t80 -78.41 -50.89 10.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 73.030000000000001 111.029 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.678 HG13 ' CG2' ' A' ' 76' ' ' ILE . 63.8 t -41.7 -36.1 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.446 1.091 . . . . 73.010000000000005 109.314 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -56.65 -52.99 62.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.14 . . . . 74.540000000000006 111.124 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.896 HG22 ' C ' ' B' ' 630' ' ' ALA . 77.5 t -60.09 -39.17 79.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 65.319999999999993 109.319 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.97 ' CD1' ' HG ' ' A' ' 33' ' ' CYS . 24.6 mm -66.46 -34.42 70.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 O-C-N 124.476 1.11 . . . . 74.049999999999997 109.301 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 4.5 tpp85 -80.68 -3.67 51.53 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.401 1.063 . . . . 63.25 110.325 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 12.2 mttt -89.45 -46.2 8.88 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.531 1.144 . . . . 71.450000000000003 109.301 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . 0.514 ' HG3' HD12 ' A' ' 44' ' ' ILE . 2.9 mmp_? -52.95 -59.36 4.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.1 . . . . 74.150000000000006 110.369 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.797 HG21 ' O ' ' A' ' 42' ' ' PRO . 6.2 pt -79.98 -4.98 7.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 74.209999999999994 109.253 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' MET . . . . . 0.495 ' CG ' ' O ' ' A' ' 68' ' ' ILE . 5.9 ptp 42.54 44.14 3.46 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.531 1.145 . . . . 64.340000000000003 110.968 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.487 HD12 ' HA ' ' A' ' 70' ' ' LEU . 5.3 tp -61.64 140.53 95.15 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.541 1.151 . . . . 62.43 109.342 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' 70' ' ' LEU . 18.4 Cg_endo -75.08 169.74 21.93 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.504 1.792 . . . . 75.310000000000002 110.965 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -0.67 10.25 Favored 'Trans proline' 0 C--N 1.362 1.27 0 O-C-N 124.468 1.772 . . . . 73.310000000000002 110.978 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 17.1 pt-20 -90.64 2.94 55.43 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.543 1.152 . . . . 75.109999999999999 110.266 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.401 ' HD2' HD11 ' A' ' 70' ' ' LEU . 19.2 mttt -121.53 -178.96 3.94 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.509 1.13 . . . . 74.239999999999995 109.291 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -139.11 147.08 41.48 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.576 1.172 . . . . 54.009999999999998 109.334 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.908 HD12 ' CD2' ' A' ' 109' ' ' TYR . 1.1 tt -142.88 121.66 8.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.411 1.069 . . . . 71.129999999999995 109.336 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . 0.49 ' HB3' HD11 ' A' ' 84' ' ' LEU . 65.8 m-85 -122.16 140.57 52.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 70.230000000000004 110.931 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.6 ' CG2' ' CG2' ' A' ' 107' ' ' VAL . 9.1 mm -85.33 149.8 4.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 70.040000000000006 109.264 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -139.87 126.14 20.05 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 63.119999999999997 111.048 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.569 ' O ' HG23 ' A' ' 83' ' ' THR . 2.2 t -128.84 116.76 42.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.434 1.084 . . . . 75.209999999999994 109.302 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . 0.499 ' O ' ' CB ' ' A' ' 82' ' ' ASP . 1.8 m-80 64.03 19.9 11.96 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.57 1.168 . . . . 74.420000000000002 109.271 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . 0.499 ' CB ' ' O ' ' A' ' 81' ' ' ASN . 3.9 m-20 81.61 24.7 0.24 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 75.129999999999995 109.319 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' THR . . . . . 0.569 HG23 ' O ' ' A' ' 80' ' ' VAL . 0.7 OUTLIER -131.76 135.17 46.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.112 . . . . 74.25 110.322 -179.941 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.67 HD23 HD22 ' A' ' 113' ' ' ASN . 0.2 OUTLIER -91.48 112.45 54.29 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.46 1.1 . . . . 64.219999999999999 109.268 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 163.55 35.18 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.491 1.785 . . . . 73.140000000000001 110.988 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . 0.732 ' HD2' ' HB2' ' A' ' 89' ' ' ALA . 18.2 Cg_endo -75.02 -164.97 0.26 Allowed 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.469 1.773 . . . . 70.439999999999998 111.017 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 4.8 p -96.12 -31.95 12.75 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.453 1.096 . . . . 62.409999999999997 110.399 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -86.42 11.27 12.8 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.555 1.159 . . . . 71.439999999999998 109.369 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . 1.055 ' HB1' HD12 ' A' ' 94' ' ' ILE . . . -75.84 60.37 1.33 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 73.430000000000007 109.324 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.531 ' C ' ' O ' ' A' ' 89' ' ' ALA . 0.4 OUTLIER -28.95 114.99 0.09 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 71.209999999999994 109.303 179.94 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' MET . . . . . 0.548 ' SD ' HG22 ' A' ' 51' ' ' VAL . 0.0 OUTLIER -36.55 -32.17 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.612 1.195 . . . . 71.209999999999994 111.004 179.976 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' SER . . . . . 0.45 ' N ' ' O ' ' A' ' 90' ' ' LEU . 1.3 t -62.79 -56.62 15.8 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.436 1.085 . . . . 61.219999999999999 110.006 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . 0.407 ' N ' ' O ' ' A' ' 90' ' ' LEU . . . -63.37 -13.31 37.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.434 1.083 . . . . 70.439999999999998 109.235 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 1.055 HD12 ' HB1' ' A' ' 89' ' ' ALA . 29.7 mm -87.48 -41.02 14.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.489 1.118 . . . . 61.530000000000001 109.352 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' TYR . . . . . 0.763 ' CD2' HD21 ' A' ' 105' ' ' LEU . 7.7 t80 -79.28 -5.65 54.9 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.554 1.159 . . . . 52.140000000000001 110.95 -179.9 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . 0.454 ' O ' ' CG ' ' A' ' 96' ' ' GLN . 1.4 tt0 -101.87 -10.12 20.13 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.559 1.162 . . . . 73.329999999999998 110.248 -179.905 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -120.45 -7.59 9.69 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.446 1.091 . . . . 70.129999999999995 110.332 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . 0.486 ' CE1' ' ND2' ' A' ' 81' ' ' ASN . 25.0 m-70 -126.99 16.55 7.32 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.555 1.159 . . . . 62.030000000000001 109.544 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . 0.491 ' HB3' ' O ' ' A' ' 95' ' ' TYR . 0.1 OUTLIER -60.61 156.19 17.12 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.552 1.157 . . . . 60.420000000000002 109.287 -179.94 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -128.47 175.78 8.25 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.448 1.092 . . . . 64.510000000000005 109.303 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . 0.441 ' CE ' ' HA ' ' A' ' 101' ' ' LYS . 4.0 mmpt? -50.91 -57.38 8.65 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.424 1.078 . . . . 74.239999999999995 109.29 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . 0.554 ' HB3' ' CE1' ' A' ' 11' ' ' PHE . 0.5 OUTLIER -56.93 -19.92 20.61 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.484 1.115 . . . . 52.350000000000001 109.215 -179.912 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . 0.421 ' O ' ' CZ ' ' A' ' 95' ' ' TYR . . . 91.01 -25.78 13.1 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.466 1.104 . . . . 42.140000000000001 110.929 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . 0.665 ' CE1' ' NZ ' ' A' ' 48' ' ' LYS . 13.5 m-85 -68.9 145.81 53.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.444 0.732 . . . . 73.230000000000004 111.089 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.763 HD21 ' CD2' ' A' ' 95' ' ' TYR . 0.3 OUTLIER -86.94 143.09 27.54 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 74.420000000000002 109.34 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . 0.443 ' OH ' ' NH1' ' A' ' 14' ' ' ARG . 84.6 m-85 -120.74 95.09 4.57 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.486 1.116 . . . . 64.400000000000006 111.015 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . 0.6 ' CG2' ' CG2' ' A' ' 78' ' ' ILE . 12.0 p -106.82 169.31 2.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.538 1.149 . . . . 71.319999999999993 109.389 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' THR . . . . . 0.474 ' N ' HG23 ' A' ' 107' ' ' VAL . 0.6 OUTLIER -152.75 158.17 41.9 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.511 1.132 . . . . 74.209999999999994 110.326 -179.939 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' TYR . . . . . 0.908 ' CD2' HD12 ' A' ' 76' ' ' ILE . 36.1 p90 -140.75 141.45 34.86 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.477 1.11 . . . . 63.539999999999999 111.012 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 19.5 m -138.66 174.79 10.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.455 1.097 . . . . 73.5 110.018 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -87.92 2.69 85.82 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.528 1.143 . . . . 54.340000000000003 111.005 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . 0.459 ' HE2' ' CA ' ' A' ' 39' ' ' SER . 20.1 pm0 -118.29 149.82 40.5 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.433 0.725 . . . . 65.25 110.334 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . 0.67 HD22 HD23 ' A' ' 84' ' ' LEU . 18.4 t-20 . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.439 1.087 . . . . 71.129999999999995 109.282 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 629' ' ' ILE . . . . . 0.45 ' C ' HD13 ' B' ' 629' ' ' ILE . 1.2 pp . . . . . 0 N--CA 1.452 -0.351 0 N-CA-C 109.311 -0.626 . . . . 61.409999999999997 109.311 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 630' ' ' ALA . . . . . 0.896 ' C ' HG22 ' A' ' 63' ' ' VAL . . . . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.111 . . . . 73.25 109.32 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.647 ' HG1' ' HB3' ' A' ' 46' ' ' LYS . 8.3 p . . . . . 0 N--CA 1.452 -0.336 0 N-CA-C 110.438 -0.208 . . . . 74.439999999999998 110.438 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . 0.612 ' CE2' ' OH ' ' A' ' 9' ' ' TYR . 69.0 t80 -71.6 -31.36 66.84 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.6 1.187 . . . . 75.109999999999999 111.075 179.897 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.866 ' HZ2' HG21 ' A' ' 32' ' ' ILE . 0.6 OUTLIER -80.64 -53.34 6.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 72.109999999999999 109.282 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 29.5 t -59.47 -15.36 17.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.571 1.17 . . . . 63.350000000000001 109.946 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . 0.59 ' HB3' ' CD1' ' A' ' 9' ' ' TYR . 8.9 tt0 -54.74 -46.92 74.37 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.468 1.105 . . . . 75.049999999999997 110.328 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . 0.612 ' OH ' ' CE2' ' A' ' 5' ' ' PHE . 1.9 p90 -134.46 167.28 23.6 Favored Pre-proline 0 C--N 1.326 -0.434 0 O-C-N 124.425 1.078 . . . . 62.130000000000003 110.948 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -178.68 4.34 Favored 'Trans proline' 0 C--N 1.361 1.211 0 O-C-N 124.493 1.786 . . . . 44.439999999999998 110.986 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.648 ' CE2' ' CD ' ' A' ' 101' ' ' LYS . 6.2 t80 -68.22 -48.03 66.25 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 73.120000000000005 110.927 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -52.97 -19.19 2.43 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 72.25 110.294 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -93.42 -51.5 4.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 72.310000000000002 109.376 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 11.6 ptp180 -60.85 -20.55 61.99 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.445 1.091 . . . . 72.400000000000006 110.231 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.416 ' HD3' ' CE1' ' A' ' 11' ' ' PHE . 34.9 pttt -81.4 -42.89 19.76 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.522 1.139 . . . . 63.020000000000003 109.322 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -57.57 -23.81 52.73 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.447 1.092 . . . . 52.130000000000003 109.251 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.439 ' O ' ' CG ' ' A' ' 20' ' ' ARG . 13.4 tp10 -68.32 -57.11 6.44 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 64.25 110.209 -179.911 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 20.2 p -59.01 -15.77 14.89 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 73.400000000000006 110.045 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -79.94 -25.36 40.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 72.310000000000002 110.363 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.916 HH21 ' CD ' ' A' ' 24' ' ' ARG . 13.9 ptm180 -101.85 -25.94 13.63 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.522 1.139 . . . . 74.030000000000001 110.257 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 27.1 mt -63.63 -22.01 29.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 70.129999999999995 109.294 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -74.17 -19.0 60.7 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.453 1.096 . . . . 53.32 109.27 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -97.36 -42.68 7.64 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.466 1.104 . . . . 74.040000000000006 109.303 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.916 ' CD ' HH21 ' A' ' 20' ' ' ARG . 4.1 mtp85 -69.48 -51.89 31.68 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.491 1.119 . . . . 72.200000000000003 110.317 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.543 ' CE2' ' HB3' ' A' ' 24' ' ' ARG . 3.4 m-85 -142.27 91.89 7.66 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.505 1.128 . . . . 64.319999999999993 111.06 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 -33.28 4.8 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.47 1.774 . . . . 74.200000000000003 110.987 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.594 ' N ' HD21 ' A' ' 27' ' ' ASN . 0.9 OUTLIER -91.02 40.22 1.02 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.385 1.053 . . . . 72.439999999999998 109.351 179.968 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.448 ' CG ' ' HB3' ' A' ' 25' ' ' PHE . 11.8 mmt180 -124.11 170.17 10.96 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.365 1.04 . . . . 75.129999999999995 110.313 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.492 HD13 ' HA ' ' A' ' 92' ' ' SER . 22.2 mm -133.06 96.24 17.88 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.543 1.152 . . . . 73.209999999999994 109.345 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.672 ' HA ' HD23 ' A' ' 50' ' ' LEU . 18.2 Cg_endo -74.94 105.51 2.09 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.487 1.782 . . . . 64.019999999999996 110.981 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.531 HG13 HG23 ' A' ' 51' ' ' VAL . 0.9 OUTLIER -118.82 169.63 9.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.431 1.082 . . . . 75.340000000000003 109.293 179.961 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.866 HG21 ' HZ2' ' A' ' 6' ' ' LYS . 4.0 mm -134.7 106.16 7.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 65.239999999999995 109.259 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.78 ' HG ' ' CD1' ' A' ' 64' ' ' ILE . 0.5 OUTLIER -83.69 139.74 32.59 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.404 1.065 . . . . 43.200000000000003 108.286 179.974 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.487 ' O ' ' CG2' ' A' ' 108' ' ' THR . 6.7 tp10 -149.86 156.71 42.25 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.528 1.143 . . . . 74.129999999999995 110.18 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.596 ' HB3' ' HZ3' ' A' ' 35' ' ' LYS . 0.0 OUTLIER -94.12 126.91 39.63 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.471 1.107 . . . . 74.109999999999999 109.317 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.504 ' HB3' ' HB2' ' A' ' 39' ' ' SER . . . -53.74 179.46 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 61.539999999999999 109.316 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.451 ' CG ' ' N ' ' A' ' 38' ' ' LYS . 11.1 pt-20 -96.44 -50.95 4.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.414 1.071 . . . . 72.099999999999994 110.279 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.451 ' N ' ' CG ' ' A' ' 37' ' ' GLU . 50.3 mttp -59.74 -37.03 77.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 70.129999999999995 109.272 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.504 ' HB2' ' HB3' ' A' ' 36' ' ' ALA . 3.3 t -39.98 159.59 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.45 1.094 . . . . 61.219999999999999 109.985 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 75.2 m-20 -121.98 1.9 9.87 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.586 1.179 . . . . 65.120000000000005 109.283 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.595 HD12 ' CE2' ' A' ' 109' ' ' TYR . 0.1 OUTLIER -79.88 167.99 29.54 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.44 1.088 . . . . 75.430000000000007 109.275 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . 0.457 ' O ' HG21 ' A' ' 68' ' ' ILE . 18.0 Cg_endo -75.07 125.2 9.12 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.491 1.785 . . . . 64.400000000000006 110.974 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -66.2 146.82 54.18 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.435 1.084 . . . . 74.430000000000007 110.339 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.753 HD12 ' HG3' ' A' ' 67' ' ' ARG . 13.8 tt -67.11 170.28 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.46 1.1 . . . . 73.530000000000001 109.325 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -72.25 -44.33 63.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.421 1.075 . . . . 74.129999999999995 109.296 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.647 ' HB3' ' HG1' ' A' ' 4' ' ' THR . 0.1 OUTLIER -149.83 164.98 33.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 72.310000000000002 109.295 179.972 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.698 ' HB2' HG22 ' A' ' 32' ' ' ILE . 2.1 ptm180 -106.99 95.68 5.89 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.484 1.115 . . . . 73.310000000000002 110.302 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.583 ' HB2' ' CD2' ' A' ' 5' ' ' PHE . 17.8 tptt -166.6 116.43 0.92 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.555 1.159 . . . . 65.409999999999997 109.268 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.679 ' HE2' HG12 ' A' ' 63' ' ' VAL . 20.3 m-85 -141.67 115.22 8.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.441 1.088 . . . . 72.340000000000003 111.015 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.672 HD23 ' HA ' ' A' ' 30' ' ' PRO . 0.3 OUTLIER -98.33 77.13 2.35 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.567 1.167 . . . . 74.329999999999998 109.346 -179.969 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.94 HG22 ' SD ' ' A' ' 91' ' ' MET . 6.4 m -82.82 146.28 52.15 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.102 . . . . 63.399999999999999 109.225 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . 0.421 ' HA ' ' HD3' ' A' ' 28' ' ' ARG . 18.4 Cg_endo -74.95 -178.23 4.01 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.452 1.764 . . . . 72.439999999999998 110.994 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -91.84 18.77 7.27 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.486 1.116 . . . . 72.450000000000003 109.332 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -118.1 -38.48 3.21 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.462 1.101 . . . . 72.409999999999997 109.266 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.609 HD12 ' N ' ' A' ' 56' ' ' THR . 0.0 OUTLIER -57.93 130.38 46.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.547 1.154 . . . . 73.349999999999994 109.269 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.609 ' N ' HD12 ' A' ' 55' ' ' LEU . 2.4 p -90.19 -164.09 1.11 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.113 . . . . 33.539999999999999 110.409 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.41 ' CG2' ' HB3' ' A' ' 89' ' ' ALA . 2.4 t -84.12 -60.57 2.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.548 1.155 . . . . 60.439999999999998 109.355 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -57.17 -21.48 39.48 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.429 1.081 . . . . 73.230000000000004 110.989 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . 0.497 ' CB ' ' CD1' ' A' ' 55' ' ' LEU . 9.6 mt-30 -88.63 -28.31 20.73 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.432 0.725 . . . . 74.530000000000001 110.352 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.688 ' CE1' HG11 ' A' ' 51' ' ' VAL . 54.2 t80 -69.35 -38.67 78.23 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.124 . . . . 73.030000000000001 111.034 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.701 HG23 HG12 ' A' ' 78' ' ' ILE . 85.4 t -49.06 -47.19 17.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 73.010000000000005 109.231 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.552 ' CD1' ' C ' ' A' ' 62' ' ' TYR . 0.1 OUTLIER -44.82 -32.7 1.65 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 74.540000000000006 110.995 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.72 HG22 ' CA ' ' B' ' 630' ' ' ALA . 97.7 t -74.38 -39.49 48.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.43 1.081 . . . . 65.319999999999993 109.26 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.78 ' CD1' ' HG ' ' A' ' 33' ' ' CYS . 4.0 mm -67.79 -33.5 62.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.549 1.156 . . . . 74.049999999999997 109.35 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 2.3 tpp180 -77.86 -3.24 40.63 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.52 1.137 . . . . 63.25 110.291 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.471 ' HD2' ' CE1' ' A' ' 62' ' ' TYR . 15.3 mttt -90.23 -50.11 6.17 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.14 . . . . 71.450000000000003 109.279 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . 0.753 ' HG3' HD12 ' A' ' 44' ' ' ILE . 6.7 mmp_? -53.01 -66.43 0.39 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.556 1.16 . . . . 74.150000000000006 110.332 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.715 HD12 HD13 ' A' ' 76' ' ' ILE . 6.0 pt -72.32 -5.37 6.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.446 1.091 . . . . 74.209999999999994 109.385 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' MET . . . . . 0.508 ' CG ' ' O ' ' A' ' 68' ' ' ILE . 6.0 ptp 42.88 42.82 3.22 Favored 'General case' 0 C--N 1.327 -0.381 0 O-C-N 124.41 1.069 . . . . 64.340000000000003 111.059 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.503 HD23 HD13 ' A' ' 68' ' ' ILE . 4.8 tp -62.11 140.65 96.0 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 62.43 109.299 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 170.89 19.41 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.514 1.797 . . . . 75.310000000000002 110.94 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 0.23 9.18 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.507 1.793 . . . . 73.310000000000002 111.03 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -93.28 7.25 45.14 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.438 1.086 . . . . 75.109999999999999 110.281 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -125.31 179.9 4.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.555 1.159 . . . . 74.239999999999995 109.35 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -136.58 149.13 47.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.145 . . . . 54.009999999999998 109.309 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.776 HD12 ' CD2' ' A' ' 109' ' ' TYR . 1.5 tt -149.45 120.01 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.396 1.06 . . . . 71.129999999999995 109.279 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . 0.613 ' HB3' HD11 ' A' ' 84' ' ' LEU . 52.1 m-85 -120.67 142.74 49.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.107 . . . . 70.230000000000004 110.995 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.701 HG12 HG23 ' A' ' 61' ' ' VAL . 11.3 mm -84.8 139.55 17.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.569 1.168 . . . . 70.040000000000006 109.298 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . 0.586 ' CZ ' HD13 ' A' ' 84' ' ' LEU . 6.9 m-85 -131.34 130.88 43.25 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.484 1.115 . . . . 63.119999999999997 111.076 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.682 HG12 ' ND2' ' A' ' 81' ' ' ASN . 2.8 t -130.27 118.73 44.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.453 1.096 . . . . 75.209999999999994 109.323 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . 0.682 ' ND2' HG12 ' A' ' 80' ' ' VAL . 2.4 m-80 60.82 19.36 9.57 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.535 1.147 . . . . 74.420000000000002 109.29 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . 0.493 ' CB ' ' O ' ' A' ' 81' ' ' ASN . 9.3 t0 81.08 25.7 0.25 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.439 1.087 . . . . 75.129999999999995 109.341 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' THR . . . . . 0.486 ' O ' ' CG2' ' A' ' 83' ' ' THR . 0.6 OUTLIER -133.15 112.94 12.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.107 . . . . 74.25 110.388 -179.94 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.613 HD11 ' HB3' ' A' ' 77' ' ' PHE . 0.3 OUTLIER -71.99 113.81 23.53 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.524 1.14 . . . . 64.219999999999999 109.306 179.967 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . 0.406 ' HD3' ' O ' ' A' ' 83' ' ' THR . 18.5 Cg_endo -74.98 165.32 31.58 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.482 1.78 . . . . 73.140000000000001 111.018 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . 0.733 ' HD2' ' HB2' ' A' ' 89' ' ' ALA . 18.5 Cg_endo -74.94 -167.27 0.4 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.586 1.835 . . . . 70.439999999999998 111.02 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 2.0 p -93.68 -32.13 14.17 Favored 'General case' 0 C--N 1.327 -0.406 0 O-C-N 124.449 1.093 . . . . 62.409999999999997 110.451 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -86.38 11.66 11.86 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.487 1.117 . . . . 71.439999999999998 109.306 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . 1.018 ' HB1' HD12 ' A' ' 94' ' ' ILE . . . -76.01 60.57 1.42 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.118 . . . . 73.430000000000007 109.301 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.556 ' CD1' HG23 ' A' ' 56' ' ' THR . 0.4 OUTLIER -28.99 115.64 0.1 Allowed 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.493 1.12 . . . . 71.209999999999994 109.424 179.926 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' MET . . . . . 0.94 ' SD ' HG22 ' A' ' 51' ' ' VAL . 0.3 OUTLIER -37.05 -31.1 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.546 1.154 . . . . 71.209999999999994 110.978 -179.973 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' SER . . . . . 0.492 ' HA ' HD13 ' A' ' 29' ' ' ILE . 1.5 t -67.81 -53.71 24.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.605 1.191 . . . . 61.219999999999999 110.001 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . 0.452 ' N ' ' O ' ' A' ' 90' ' ' LEU . . . -63.27 -13.16 35.1 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.561 1.163 . . . . 70.439999999999998 109.242 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 1.018 HD12 ' HB1' ' A' ' 89' ' ' ALA . 26.8 mm -88.28 -41.7 14.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.42 1.075 . . . . 61.530000000000001 109.376 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' TYR . . . . . 0.692 ' CD2' HD21 ' A' ' 105' ' ' LEU . 4.7 t80 -74.78 -9.02 58.16 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.44 1.088 . . . . 52.140000000000001 111.022 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . 0.467 ' O ' ' CG ' ' A' ' 96' ' ' GLN . 15.5 tp60 -100.99 -8.97 21.9 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.388 1.055 . . . . 73.329999999999998 110.301 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -118.3 -8.12 10.63 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 70.129999999999995 110.325 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . 0.564 ' HD2' HG23 ' A' ' 94' ' ' ILE . 61.4 m-70 -128.42 14.97 6.63 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.48 1.113 . . . . 62.030000000000001 109.624 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . 0.494 ' HB3' ' O ' ' A' ' 95' ' ' TYR . 0.1 OUTLIER -55.75 154.68 6.66 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.525 1.141 . . . . 60.420000000000002 109.306 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -124.66 171.59 9.94 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.507 1.129 . . . . 64.510000000000005 109.268 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . 0.648 ' CD ' ' CE2' ' A' ' 11' ' ' PHE . 0.1 OUTLIER -55.44 -43.04 75.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 74.239999999999995 109.362 179.947 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . 0.788 ' CG ' ' HH ' ' A' ' 106' ' ' TYR . 1.0 OUTLIER -72.01 -15.48 62.05 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.124 . . . . 52.350000000000001 109.277 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 88.77 -39.27 3.13 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.532 1.145 . . . . 42.140000000000001 111.046 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . 0.451 ' HE1' ' HZ3' ' A' ' 48' ' ' LYS . 0.4 OUTLIER -56.99 132.11 51.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 0.751 . . . . 73.230000000000004 110.866 -179.968 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.692 HD21 ' CD2' ' A' ' 95' ' ' TYR . 0.2 OUTLIER -77.37 151.16 34.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 74.420000000000002 109.342 179.97 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . 0.788 ' HH ' ' CG ' ' A' ' 102' ' ' ASP . 94.3 m-85 -130.62 95.9 3.98 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.496 1.122 . . . . 64.400000000000006 111.05 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . 0.603 ' CG2' ' CG2' ' A' ' 78' ' ' ILE . 11.5 p -106.07 171.44 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.533 1.145 . . . . 71.319999999999993 109.291 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' THR . . . . . 0.526 ' H ' HG23 ' A' ' 107' ' ' VAL . 0.3 OUTLIER -152.47 161.12 43.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.112 . . . . 74.209999999999994 110.42 179.983 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' TYR . . . . . 0.776 ' CD2' HD12 ' A' ' 76' ' ' ILE . 46.7 p90 -140.74 134.3 30.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.438 1.086 . . . . 63.539999999999999 110.94 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 22.9 t -136.33 157.56 46.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.377 1.048 . . . . 73.5 110.014 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -85.2 2.42 88.2 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.563 1.164 . . . . 54.340000000000003 111.048 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -121.69 124.53 44.49 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.547 0.793 . . . . 65.25 110.312 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 11.5 t-20 . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.405 1.065 . . . . 71.129999999999995 109.301 -179.967 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 629' ' ' ILE . . . . . 0.522 ' C ' HG11 ' A' ' 63' ' ' VAL . 1.2 pp . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 109.294 -0.632 . . . . 61.409999999999997 109.294 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 630' ' ' ALA . . . . . 0.72 ' CA ' HG22 ' A' ' 63' ' ' VAL . . . . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.144 . . . . 73.25 109.248 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.477 ' OG1' ' CG ' ' A' ' 47' ' ' ARG . 2.0 p . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 110.417 -0.216 . . . . 74.439999999999998 110.417 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . 0.591 ' O ' ' CE1' ' A' ' 9' ' ' TYR . 9.5 t80 -64.05 -10.59 22.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 75.109999999999999 110.995 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 13.1 tmtt? -98.44 -15.02 19.8 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 72.109999999999999 109.194 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -110.16 5.15 21.71 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.527 1.142 . . . . 63.350000000000001 109.998 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . 0.553 ' HB3' ' CE2' ' A' ' 9' ' ' TYR . 0.0 OUTLIER -82.35 0.7 40.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 75.049999999999997 110.28 -179.945 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . 0.591 ' CE1' ' O ' ' A' ' 5' ' ' PHE . 0.3 OUTLIER 179.55 169.77 0.61 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 62.130000000000003 110.98 -179.94 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 178.95 6.58 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.462 1.77 . . . . 44.439999999999998 110.987 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.57 ' HB2' HH21 ' A' ' 14' ' ' ARG . 4.4 t80 -71.08 -39.56 72.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 73.120000000000005 111.031 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.435 ' HA ' ' CD ' ' A' ' 15' ' ' LYS . 46.8 mt-10 -64.14 -10.78 24.86 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.513 1.133 . . . . 72.25 110.312 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -86.47 -58.14 2.73 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.501 1.125 . . . . 72.310000000000002 109.369 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.802 ' NH1' ' HH ' ' A' ' 106' ' ' TYR . 8.2 ptt180 -63.04 -45.08 93.95 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.483 1.115 . . . . 72.400000000000006 110.371 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.476 ' N ' ' CG ' ' A' ' 14' ' ' ARG . 39.0 pttt -47.4 -40.16 17.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.13 . . . . 63.020000000000003 109.255 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -68.36 -34.88 76.88 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.523 1.139 . . . . 52.130000000000003 109.311 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.446 ' N ' ' O ' ' A' ' 14' ' ' ARG . 24.8 tp10 -64.32 -39.81 94.65 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 64.25 110.361 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -74.95 -16.99 60.62 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.559 1.162 . . . . 73.400000000000006 110.054 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -75.09 -25.07 58.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.452 1.095 . . . . 72.310000000000002 110.309 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 13.3 ptm180 -101.82 -31.5 10.71 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.493 1.121 . . . . 74.030000000000001 110.281 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 3.9 mt -64.28 -19.6 25.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.488 1.117 . . . . 70.129999999999995 109.291 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -76.34 -14.43 60.09 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.474 1.109 . . . . 53.32 109.267 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -105.24 -39.43 6.19 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.46 1.1 . . . . 74.040000000000006 109.362 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.535 ' HB3' ' CE1' ' A' ' 25' ' ' PHE . 15.0 mmm-85 -68.07 -49.07 63.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.556 1.16 . . . . 72.200000000000003 110.231 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.535 ' CE1' ' HB3' ' A' ' 24' ' ' ARG . 0.9 OUTLIER -133.92 77.47 62.54 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.571 1.169 . . . . 64.319999999999993 110.943 -179.966 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 -24.95 12.32 Favored 'Trans proline' 0 C--N 1.358 1.068 0 O-C-N 124.528 1.804 . . . . 74.200000000000003 110.961 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 36.2 m-20 -91.94 21.97 4.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.438 1.087 . . . . 72.439999999999998 109.207 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.576 ' HB3' HD11 ' A' ' 50' ' ' LEU . 9.3 mmt-85 -114.41 -177.45 3.13 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.451 1.095 . . . . 75.129999999999995 110.245 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.642 HG23 ' CB ' ' A' ' 95' ' ' TYR . 35.8 mm -146.31 98.66 4.28 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.545 1.153 . . . . 73.209999999999994 109.351 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.567 ' HD2' ' CE1' ' A' ' 95' ' ' TYR . 18.4 Cg_endo -74.93 141.26 26.64 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.387 1.73 . . . . 64.019999999999996 110.97 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.777 HG21 ' HB3' ' A' ' 105' ' ' LEU . 5.5 p -159.92 152.77 5.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 75.340000000000003 109.309 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.651 ' CD1' ' HZ1' ' A' ' 48' ' ' LYS . 21.8 mm -113.06 115.48 49.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.438 1.086 . . . . 65.239999999999995 109.319 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 1.008 ' HG ' HD13 ' A' ' 64' ' ' ILE . 1.0 OUTLIER -90.38 111.88 23.28 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 43.200000000000003 108.324 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.703 ' HA ' HH21 ' A' ' 47' ' ' ARG . 87.7 tt0 -113.44 153.93 27.82 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.509 1.131 . . . . 74.129999999999995 110.246 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.96 ' HZ1' ' CB ' ' A' ' 39' ' ' SER . 0.4 OUTLIER -93.17 121.29 34.38 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.444 1.09 . . . . 74.109999999999999 109.406 179.969 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.455 ' CB ' ' HB3' ' A' ' 110' ' ' SER . . . -52.93 172.83 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.136 . . . . 61.539999999999999 109.299 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.407 ' HG3' ' N ' ' A' ' 38' ' ' LYS . 18.7 pt-20 -96.73 -48.0 5.66 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.105 . . . . 72.099999999999994 110.318 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.455 ' C ' ' HE2' ' A' ' 112' ' ' GLU . 8.8 mttp -52.38 -47.12 66.38 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.493 1.12 . . . . 70.129999999999995 109.289 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.96 ' CB ' ' HZ1' ' A' ' 35' ' ' LYS . 0.1 OUTLIER -48.58 173.6 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.427 1.079 . . . . 61.219999999999999 110.028 -179.93 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -137.61 19.1 2.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 65.120000000000005 109.301 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.62 HG23 ' OG ' ' A' ' 39' ' ' SER . 0.1 OUTLIER -81.68 168.26 25.55 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.465 1.103 . . . . 75.430000000000007 109.221 -179.925 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . 0.551 ' O ' HG21 ' A' ' 68' ' ' ILE . 18.2 Cg_endo -75.01 125.48 9.34 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.51 1.795 . . . . 64.400000000000006 111.012 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -63.82 148.6 48.91 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.546 1.153 . . . . 74.430000000000007 110.349 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 1.042 ' CD1' ' HH ' ' A' ' 49' ' ' TYR . 11.7 tt -69.01 170.37 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.581 1.176 . . . . 73.530000000000001 109.275 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -75.06 -44.69 46.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 74.129999999999995 109.304 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.649 ' HZ2' ' HD2' ' A' ' 67' ' ' ARG . 0.1 OUTLIER -144.46 168.42 20.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.125 . . . . 72.310000000000002 109.258 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.74 HH21 ' H ' ' A' ' 35' ' ' LYS . 0.7 OUTLIER -112.1 94.02 4.74 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.469 1.106 . . . . 73.310000000000002 110.312 -179.973 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.651 ' HZ1' ' CD1' ' A' ' 32' ' ' ILE . 0.0 OUTLIER -167.1 121.02 1.0 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.452 1.095 . . . . 65.409999999999997 109.326 -179.956 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 1.042 ' HH ' ' CD1' ' A' ' 44' ' ' ILE . 28.1 m-85 -146.9 108.46 4.31 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.504 1.128 . . . . 72.340000000000003 111.049 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.576 HD11 ' HB3' ' A' ' 28' ' ' ARG . 15.3 tp -104.41 76.72 1.33 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 74.329999999999998 109.248 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.715 HG11 ' CD1' ' A' ' 60' ' ' PHE . 28.8 m -77.19 157.25 81.19 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.396 1.06 . . . . 63.399999999999999 109.247 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 175.62 11.0 Favored 'Trans proline' 0 C--N 1.361 1.213 0 O-C-N 124.443 1.76 . . . . 72.439999999999998 111.029 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -87.99 17.96 4.57 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.585 1.178 . . . . 72.450000000000003 109.325 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -117.63 -38.14 3.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 72.409999999999997 109.311 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.501 ' CD1' ' O ' ' B' ' 630' ' ' ALA . 0.4 OUTLIER -57.48 133.8 55.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 73.349999999999994 109.22 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -94.25 -173.85 3.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.577 1.173 . . . . 33.539999999999999 110.397 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 2.6 t -73.37 -42.54 57.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.427 1.079 . . . . 60.439999999999998 109.278 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -72.25 -6.6 65.5 Favored Glycine 0 CA--C 1.529 0.927 0 O-C-N 124.454 1.096 . . . . 73.230000000000004 111.058 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . 0.419 ' CB ' ' HG ' ' A' ' 55' ' ' LEU . 14.5 mt-30 -99.29 -23.22 15.26 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 0.776 . . . . 74.530000000000001 110.312 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.715 ' CD1' HG11 ' A' ' 51' ' ' VAL . 34.1 t80 -76.68 -54.2 6.97 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.508 1.13 . . . . 73.030000000000001 110.96 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.754 HG13 ' CG2' ' A' ' 76' ' ' ILE . 90.7 t -40.08 -36.89 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.475 1.109 . . . . 73.010000000000005 109.29 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.581 ' CD1' ' HD3' ' A' ' 66' ' ' LYS . 0.5 OUTLIER -56.61 -54.53 44.98 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.497 1.123 . . . . 74.540000000000006 111.015 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 1.008 HG22 ' C ' ' B' ' 630' ' ' ALA . 77.5 t -58.63 -39.56 76.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.11 . . . . 65.319999999999993 109.289 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 1.008 HD13 ' HG ' ' A' ' 33' ' ' CYS . 16.0 mm -59.45 -48.35 87.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.478 1.111 . . . . 74.049999999999997 109.334 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.478 HH21 HG22 ' A' ' 76' ' ' ILE . 9.7 tpp85 -61.97 -33.52 74.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 63.25 110.35 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.581 ' HD3' ' CD1' ' A' ' 62' ' ' TYR . 0.1 OUTLIER -61.8 -53.45 55.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 71.450000000000003 109.235 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . 0.649 ' HD2' ' HZ2' ' A' ' 46' ' ' LYS . 1.2 mmp_? -48.6 -66.51 0.39 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.504 1.127 . . . . 74.150000000000006 110.31 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.815 HD12 HD13 ' A' ' 76' ' ' ILE . 5.5 pt -69.3 -7.65 8.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.505 1.128 . . . . 74.209999999999994 109.285 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' MET . . . . . 0.511 ' CG ' ' O ' ' A' ' 68' ' ' ILE . 6.7 ptp 43.47 41.18 3.13 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.495 1.122 . . . . 64.340000000000003 110.964 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.492 HD12 ' HA ' ' A' ' 70' ' ' LEU . 5.0 tp -62.28 141.03 96.31 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.597 1.186 . . . . 62.43 109.364 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.91 172.56 16.09 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.508 1.793 . . . . 75.310000000000002 111.022 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -2.87 13.11 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.496 1.788 . . . . 73.310000000000002 110.991 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -86.1 3.18 43.71 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.563 1.164 . . . . 75.109999999999999 110.324 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 10.5 mttp -133.73 -178.97 5.25 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.477 1.11 . . . . 74.239999999999995 109.253 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -139.15 177.11 8.14 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.462 1.101 . . . . 54.009999999999998 109.299 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.815 HD13 HD12 ' A' ' 68' ' ' ILE . 1.0 OUTLIER -161.83 116.51 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.439 1.087 . . . . 71.129999999999995 109.279 -179.951 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . 0.471 ' CE1' ' HB2' ' A' ' 113' ' ' ASN . 82.4 m-85 -116.35 140.99 48.74 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 70.230000000000004 111.012 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.648 ' CG1' HG23 ' A' ' 61' ' ' VAL . 5.1 mm -84.18 150.83 3.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 O-C-N 124.558 1.162 . . . . 70.040000000000006 109.297 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . 0.522 ' CD1' HD12 ' A' ' 84' ' ' LEU . 2.8 m-85 -145.8 117.38 8.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 63.119999999999997 110.998 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.685 HG11 ' CD2' ' A' ' 98' ' ' HIS . 1.5 t -119.45 110.65 30.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.573 1.171 . . . . 75.209999999999994 109.365 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . 0.497 ' O ' ' CB ' ' A' ' 82' ' ' ASP . 2.9 m-80 66.78 21.7 10.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.099 . . . . 74.420000000000002 109.29 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . 0.497 ' CB ' ' O ' ' A' ' 81' ' ' ASN . 4.1 m-20 81.66 21.14 0.33 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 75.129999999999995 109.304 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' THR . . . . . 0.618 HG23 ' O ' ' A' ' 80' ' ' VAL . 0.7 OUTLIER -124.58 135.08 52.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.145 . . . . 74.25 110.427 179.972 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.618 HD23 HD22 ' A' ' 113' ' ' ASN . 0.2 OUTLIER -95.6 111.14 54.55 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 64.219999999999999 109.285 -179.965 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 163.52 35.2 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.483 1.78 . . . . 73.140000000000001 111.007 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . 0.756 ' HG2' ' HB2' ' A' ' 89' ' ' ALA . 18.0 Cg_endo -75.08 -167.05 0.39 Allowed 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.493 1.786 . . . . 70.439999999999998 110.95 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 2.2 p -97.1 -35.34 10.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 62.409999999999997 110.365 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -82.39 5.28 20.89 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.458 1.099 . . . . 71.439999999999998 109.302 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . 1.072 ' HB1' HD12 ' A' ' 94' ' ' ILE . . . -76.06 61.0 1.49 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.466 1.104 . . . . 73.430000000000007 109.292 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.593 ' C ' ' O ' ' A' ' 89' ' ' ALA . 0.3 OUTLIER -24.58 124.11 0.05 OUTLIER 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.537 1.148 . . . . 71.209999999999994 109.283 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' MET . . . . . 0.489 ' HE1' ' HB3' ' A' ' 91' ' ' MET . 40.4 mmm -49.42 -21.29 0.87 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 71.209999999999994 111.004 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 3.2 p -68.54 -48.16 65.02 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.423 1.077 . . . . 61.219999999999999 109.932 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -73.56 -13.34 61.01 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.561 1.163 . . . . 70.439999999999998 109.379 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 1.072 HD12 ' HB1' ' A' ' 89' ' ' ALA . 18.3 mm -87.02 -43.46 15.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.458 1.099 . . . . 61.530000000000001 109.306 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' TYR . . . . . 0.69 ' CD1' HD21 ' A' ' 105' ' ' LEU . 2.2 t80 -76.02 -4.43 41.19 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.604 1.19 . . . . 52.140000000000001 111.039 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . 0.432 ' O ' ' CG ' ' A' ' 96' ' ' GLN . 1.6 tt0 -102.81 -10.78 18.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.562 1.164 . . . . 73.329999999999998 110.215 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -120.81 -6.16 9.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 70.129999999999995 110.254 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . 0.73 ' HB2' HD11 ' A' ' 105' ' ' LEU . 10.7 m-70 -122.11 11.29 10.18 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.526 1.141 . . . . 62.030000000000001 109.571 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . 0.495 ' HB3' ' O ' ' A' ' 95' ' ' TYR . 0.1 OUTLIER -67.37 157.83 33.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 60.420000000000002 109.287 -179.974 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . 0.43 ' O ' ' N ' ' A' ' 103' ' ' GLY . 0.1 OUTLIER -130.75 175.37 9.09 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.527 1.142 . . . . 64.510000000000005 109.275 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 36.9 mtmt -45.89 -50.45 14.43 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.491 1.119 . . . . 74.239999999999995 109.252 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . 0.431 ' HB3' ' CE2' ' A' ' 11' ' ' PHE . 0.4 OUTLIER -63.5 -31.77 73.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 52.350000000000001 109.234 -179.942 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . 0.43 ' N ' ' O ' ' A' ' 100' ' ' ASP . . . 100.62 -37.75 3.44 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.456 1.097 . . . . 42.140000000000001 110.979 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . 0.642 ' CE1' ' NZ ' ' A' ' 48' ' ' LYS . 2.9 m-85 -58.04 121.83 11.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 0.747 . . . . 73.230000000000004 110.972 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.777 ' HB3' HG21 ' A' ' 31' ' ' VAL . 0.3 OUTLIER -63.54 144.63 56.83 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.412 1.07 . . . . 74.420000000000002 109.302 179.945 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . 0.802 ' HH ' ' NH1' ' A' ' 14' ' ' ARG . 34.7 m-85 -121.59 88.14 2.88 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 64.400000000000006 111.007 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . 0.592 HG23 HG23 ' A' ' 78' ' ' ILE . 6.0 p -101.0 170.43 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.541 1.15 . . . . 71.319999999999993 109.289 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' THR . . . . . 0.523 HG21 ' HB3' ' A' ' 34' ' ' GLU . 0.2 OUTLIER -152.92 137.16 16.53 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.514 1.134 . . . . 74.209999999999994 110.402 -179.969 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' TYR . . . . . 0.767 ' CD2' HD12 ' A' ' 76' ' ' ILE . 41.3 p90 -118.57 134.7 54.9 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.444 1.09 . . . . 63.539999999999999 111.058 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' SER . . . . . 0.455 ' HB3' ' CB ' ' A' ' 36' ' ' ALA . 2.9 p -137.99 135.07 35.61 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.45 1.094 . . . . 73.5 110.043 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -57.53 -16.04 20.22 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.533 1.146 . . . . 54.340000000000003 110.932 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . 0.455 ' HE2' ' C ' ' A' ' 38' ' ' LYS . 4.4 pt-20 -102.22 125.33 48.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.45 0.736 . . . . 65.25 110.275 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . 0.618 HD22 HD23 ' A' ' 84' ' ' LEU . 9.9 t-20 . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.125 . . . . 71.129999999999995 109.296 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 629' ' ' ILE . . . . . 0.608 ' C ' HD13 ' B' ' 629' ' ' ILE . 1.5 pp . . . . . 0 N--CA 1.454 -0.243 0 N-CA-C 109.313 -0.625 . . . . 61.409999999999997 109.313 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 630' ' ' ALA . . . . . 1.008 ' C ' HG22 ' A' ' 63' ' ' VAL . . . . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.54 1.15 . . . . 73.25 109.332 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.776 ' HG1' ' HA ' ' A' ' 46' ' ' LYS . 2.8 p . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 110.411 -0.218 . . . . 74.439999999999998 110.411 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . 0.596 ' CE2' ' OH ' ' A' ' 9' ' ' TYR . 0.8 OUTLIER -47.43 -23.74 0.67 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.49 1.119 . . . . 75.109999999999999 111.001 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.482 ' HG3' ' CZ ' ' A' ' 14' ' ' ARG . 13.2 tttm -100.46 -26.56 13.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.112 . . . . 72.109999999999999 109.288 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' SER . . . . . 0.442 ' N ' ' O ' ' A' ' 4' ' ' THR . 0.6 OUTLIER -72.8 -3.67 26.88 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.608 1.193 . . . . 63.350000000000001 110.047 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . 0.491 ' HB3' ' CD1' ' A' ' 9' ' ' TYR . 35.6 tt0 -85.05 -56.22 3.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 75.049999999999997 110.267 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . 0.596 ' OH ' ' CE2' ' A' ' 5' ' ' PHE . 0.3 OUTLIER -121.06 168.93 9.81 Favored Pre-proline 0 C--N 1.324 -0.528 0 O-C-N 124.501 1.126 . . . . 62.130000000000003 111.003 179.972 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -176.76 3.04 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.547 1.814 . . . . 44.439999999999998 110.969 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.53 ' C ' ' CD1' ' A' ' 11' ' ' PHE . 0.2 OUTLIER -70.84 -36.58 72.95 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.129 . . . . 73.120000000000005 110.963 -179.961 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.411 ' HG2' ' HZ1' ' A' ' 15' ' ' LYS . 26.4 mt-10 -59.18 -20.24 52.13 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 72.25 110.339 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.438 ' CB ' ' HB2' ' A' ' 9' ' ' TYR . 1.3 tpmt? -77.68 -22.7 50.14 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.141 . . . . 72.310000000000002 109.257 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.592 ' NH2' HH21 ' A' ' 47' ' ' ARG . 0.2 OUTLIER -91.34 -39.16 12.18 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.434 1.084 . . . . 72.400000000000006 110.212 -179.899 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.411 ' HZ1' ' HG2' ' A' ' 12' ' ' GLU . 40.5 pttt -60.99 -38.4 85.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 63.020000000000003 109.27 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -78.19 -21.32 50.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.103 . . . . 52.130000000000003 109.308 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 26.8 tp10 -75.32 -56.45 4.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 64.25 110.336 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 51.9 p -59.52 -15.74 19.95 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.613 1.195 . . . . 73.400000000000006 109.955 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -68.76 -23.34 64.31 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.492 1.12 . . . . 72.310000000000002 110.297 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 8.6 mtm180 -101.75 -37.98 8.07 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.514 1.134 . . . . 74.030000000000001 110.344 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 11.4 mt -59.16 -20.98 18.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.54 1.15 . . . . 70.129999999999995 109.292 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -76.2 -25.03 54.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.46 1.1 . . . . 53.32 109.289 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -92.9 -20.08 21.01 Favored 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.548 1.155 . . . . 74.040000000000006 109.283 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 7.1 mtp180 -90.12 -60.76 1.84 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 72.200000000000003 110.361 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -126.79 84.26 63.43 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 64.319999999999993 110.977 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 -24.5 12.85 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.588 1.836 . . . . 74.200000000000003 111.057 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.437 ' OD1' ' N ' ' A' ' 27' ' ' ASN . 0.1 OUTLIER -94.41 41.73 1.09 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.605 1.191 . . . . 72.439999999999998 109.333 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.503 ' O ' HD11 ' A' ' 29' ' ' ILE . 9.3 mmt85 -130.87 179.41 5.99 Favored 'General case' 0 C--N 1.327 -0.403 0 O-C-N 124.493 1.121 . . . . 75.129999999999995 110.187 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.503 HD11 ' O ' ' A' ' 28' ' ' ARG . 41.0 mm -141.4 97.59 6.76 Favored Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.475 1.11 . . . . 73.209999999999994 109.292 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.578 ' HD2' ' CE2' ' A' ' 95' ' ' TYR . 18.4 Cg_endo -75.03 126.45 9.96 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.514 1.797 . . . . 64.019999999999996 110.991 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.411 ' O ' ' O ' ' A' ' 49' ' ' TYR . 0.9 OUTLIER -137.16 173.73 12.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.51 1.131 . . . . 75.340000000000003 109.23 -179.965 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.688 HG22 ' HB2' ' A' ' 47' ' ' ARG . 6.2 mm -135.68 98.4 2.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.108 . . . . 65.239999999999995 109.297 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.989 ' HG ' HD13 ' A' ' 64' ' ' ILE . 1.7 t -73.64 136.65 43.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.543 1.152 . . . . 43.200000000000003 108.246 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.993 ' HB3' HG21 ' A' ' 108' ' ' THR . 8.5 tm-20 -144.37 161.13 39.76 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.491 1.119 . . . . 74.129999999999995 110.267 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.514 ' HG2' ' CE2' ' A' ' 109' ' ' TYR . 0.0 OUTLIER -117.44 128.45 55.02 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.439 1.087 . . . . 74.109999999999999 109.258 -179.949 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.42 ' N ' ' HD2' ' A' ' 35' ' ' LYS . . . -69.55 134.74 49.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.546 1.154 . . . . 61.539999999999999 109.338 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.426 ' CG ' ' N ' ' A' ' 38' ' ' LYS . 10.3 pt-20 -60.3 -53.25 59.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.571 1.169 . . . . 72.099999999999994 110.336 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.426 ' N ' ' CG ' ' A' ' 37' ' ' GLU . 10.6 mmmt -41.05 -45.0 2.56 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.632 1.207 . . . . 70.129999999999995 109.259 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.508 ' HG ' ' H ' ' A' ' 111' ' ' GLY . 2.1 t -43.76 166.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 61.219999999999999 109.986 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 33.0 t0 -113.87 -5.97 13.22 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.128 . . . . 65.120000000000005 109.247 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.613 HD12 ' CE2' ' A' ' 109' ' ' TYR . 0.1 OUTLIER -74.39 165.65 51.68 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.536 1.147 . . . . 75.430000000000007 109.362 179.953 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . 0.438 ' O ' HG21 ' A' ' 68' ' ' ILE . 18.2 Cg_endo -75.0 126.57 10.06 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.506 1.793 . . . . 64.400000000000006 110.983 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -63.47 145.22 56.06 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.464 1.103 . . . . 74.430000000000007 110.224 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 1.016 HD12 ' HH ' ' A' ' 49' ' ' TYR . 10.5 tt -68.82 160.94 4.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.432 1.083 . . . . 73.530000000000001 109.209 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . 0.413 ' OD2' ' CD ' ' A' ' 46' ' ' LYS . 0.6 OUTLIER -64.27 -45.65 87.1 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.534 1.146 . . . . 74.129999999999995 109.293 179.951 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.776 ' HA ' ' HG1' ' A' ' 4' ' ' THR . 0.0 OUTLIER -153.81 163.03 40.72 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.459 1.099 . . . . 72.310000000000002 109.256 -179.905 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.688 ' HB2' HG22 ' A' ' 32' ' ' ILE . 9.2 ptm180 -109.48 95.49 5.66 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.463 1.102 . . . . 73.310000000000002 110.395 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.574 ' HB2' ' CD2' ' A' ' 5' ' ' PHE . 25.6 tptt -166.53 106.91 0.66 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 65.409999999999997 109.275 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 1.016 ' HH ' HD12 ' A' ' 44' ' ' ILE . 15.9 m-85 -133.36 150.46 51.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 72.340000000000003 111.074 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.48 HD13 ' HA ' ' A' ' 30' ' ' PRO . 6.9 tp -135.2 77.9 1.7 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.444 1.09 . . . . 74.329999999999998 109.311 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.736 HG11 ' CD1' ' A' ' 60' ' ' PHE . 16.0 m -79.6 151.3 74.22 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.501 1.126 . . . . 63.399999999999999 109.257 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . 0.413 ' HD3' ' CB ' ' B' ' 630' ' ' ALA . 18.1 Cg_endo -75.06 -178.24 4.04 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.539 1.81 . . . . 72.439999999999998 110.879 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -93.81 17.84 11.35 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.434 1.083 . . . . 72.450000000000003 109.277 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.523 ' O ' ' CD2' ' A' ' 90' ' ' LEU . 0.2 OUTLIER -118.66 -35.58 3.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.632 1.207 . . . . 72.409999999999997 109.283 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.614 HD13 ' HB1' ' B' ' 630' ' ' ALA . 0.4 OUTLIER -60.71 132.42 53.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.417 1.073 . . . . 73.349999999999994 109.285 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.705 HG23 ' CD2' ' A' ' 90' ' ' LEU . 9.4 p -93.8 172.93 7.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.099 . . . . 33.539999999999999 110.382 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.4 ' HB ' ' O ' ' A' ' 86' ' ' PRO . 2.3 t -58.77 -55.59 22.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.582 1.176 . . . . 60.439999999999998 109.306 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -60.24 -13.99 31.1 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.568 1.167 . . . . 73.230000000000004 110.982 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . 0.457 ' CG ' ' OG1' ' A' ' 56' ' ' THR . 3.6 mm100 -89.14 -26.47 21.3 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.504 0.767 . . . . 74.530000000000001 110.292 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.736 ' CD1' HG11 ' A' ' 51' ' ' VAL . 55.1 t80 -76.1 -49.54 17.13 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.426 1.079 . . . . 73.030000000000001 110.994 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.813 HG13 ' CG2' ' A' ' 76' ' ' ILE . 48.4 t -41.77 -41.11 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.543 1.152 . . . . 73.010000000000005 109.353 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -51.76 -44.59 63.41 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.444 1.09 . . . . 74.540000000000006 111.004 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.603 HG22 ' CA ' ' B' ' 630' ' ' ALA . 68.8 t -65.23 -45.37 93.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.368 1.043 . . . . 65.319999999999993 109.333 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.989 HD13 ' HG ' ' A' ' 33' ' ' CYS . 4.4 mm -60.47 -33.32 53.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 74.049999999999997 109.342 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.589 HH21 HG22 ' A' ' 76' ' ' ILE . 9.2 tpp85 -79.98 -3.28 47.66 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 63.25 110.25 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 1.2 mttm -93.46 -46.88 7.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.559 1.162 . . . . 71.450000000000003 109.342 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . 0.428 ' HG3' HD12 ' A' ' 44' ' ' ILE . 4.2 mmp_? -52.7 -58.18 7.68 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.559 1.162 . . . . 74.150000000000006 110.264 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.498 ' O ' ' CG ' ' A' ' 69' ' ' MET . 7.1 pt -83.61 -3.47 7.62 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 O-C-N 124.519 1.137 . . . . 74.209999999999994 109.331 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' MET . . . . . 0.498 ' CG ' ' O ' ' A' ' 68' ' ' ILE . 4.9 ptp 42.77 44.03 3.64 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.438 1.086 . . . . 64.340000000000003 110.981 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.479 HD12 ' HA ' ' A' ' 70' ' ' LEU . 5.0 tp -62.59 140.91 96.9 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.641 1.213 . . . . 62.43 109.316 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 169.82 21.78 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.441 1.758 . . . . 75.310000000000002 111.002 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -74.94 -0.43 9.93 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.555 1.818 . . . . 73.310000000000002 110.999 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -92.0 6.6 45.74 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.544 1.153 . . . . 75.109999999999999 110.269 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.05 -179.37 4.13 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.521 1.138 . . . . 74.239999999999995 109.308 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -138.54 143.68 39.58 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.476 1.11 . . . . 54.009999999999998 109.248 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.813 ' CG2' HG13 ' A' ' 61' ' ' VAL . 2.1 tt -138.17 121.44 20.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.442 1.089 . . . . 71.129999999999995 109.297 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . 0.65 ' HB3' HD22 ' A' ' 84' ' ' LEU . 90.9 m-85 -119.38 134.87 55.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.442 1.089 . . . . 70.230000000000004 110.999 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.58 ' CG2' ' CG2' ' A' ' 107' ' ' VAL . 1.9 mm -84.39 138.03 19.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 70.040000000000006 109.268 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -127.28 125.2 40.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 63.119999999999997 111.056 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.759 ' O ' HG23 ' A' ' 83' ' ' THR . 2.6 t -130.16 105.85 12.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.54 1.15 . . . . 75.209999999999994 109.34 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . 0.478 ' ND2' ' CE1' ' A' ' 98' ' ' HIS . 1.5 m-80 71.2 21.93 4.57 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.487 1.117 . . . . 74.420000000000002 109.275 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . 0.465 ' CB ' ' O ' ' A' ' 81' ' ' ASN . 1.0 OUTLIER 80.69 24.51 0.32 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.52 1.138 . . . . 75.129999999999995 109.274 179.964 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' THR . . . . . 0.759 HG23 ' O ' ' A' ' 80' ' ' VAL . 1.2 t -125.51 148.33 48.92 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.408 1.067 . . . . 74.25 110.429 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.65 HD22 ' HB3' ' A' ' 77' ' ' PHE . 1.8 mt -106.15 105.35 53.51 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 64.219999999999999 109.252 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.1 153.24 41.15 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.551 1.816 . . . . 73.140000000000001 111.024 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . 0.721 ' HD2' ' HB2' ' A' ' 89' ' ' ALA . 18.6 Cg_endo -74.88 177.01 9.11 Favored 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.535 1.808 . . . . 70.439999999999998 111.049 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 20.8 p -78.29 -33.24 49.54 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.424 1.078 . . . . 62.409999999999997 110.421 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -79.63 3.37 19.24 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 124.531 1.144 . . . . 71.439999999999998 109.266 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . 1.059 ' HB1' HD12 ' A' ' 94' ' ' ILE . . . -77.49 60.34 2.07 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.375 1.047 . . . . 73.430000000000007 109.342 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.705 ' CD2' HG23 ' A' ' 56' ' ' THR . 12.9 mt -28.98 117.94 0.12 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.44 1.088 . . . . 71.209999999999994 109.334 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' MET . . . . . 0.453 ' HB3' ' HE1' ' A' ' 91' ' ' MET . 49.5 mmm -38.55 -28.92 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.506 1.129 . . . . 71.209999999999994 110.993 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' SER . . . . . 0.454 ' N ' ' O ' ' A' ' 90' ' ' LEU . 1.0 OUTLIER -66.7 -51.92 50.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.457 1.098 . . . . 61.219999999999999 109.948 -179.959 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . 0.448 ' N ' ' O ' ' A' ' 90' ' ' LEU . . . -68.37 -9.41 47.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.541 1.151 . . . . 70.439999999999998 109.292 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 1.059 HD12 ' HB1' ' A' ' 89' ' ' ALA . 24.1 mm -90.8 -47.07 14.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.457 1.098 . . . . 61.530000000000001 109.247 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' TYR . . . . . 0.808 ' CD2' HD21 ' A' ' 105' ' ' LEU . 7.1 t80 -70.04 -6.31 32.68 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.557 1.161 . . . . 52.140000000000001 111.073 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . 0.448 ' O ' ' CG ' ' A' ' 96' ' ' GLN . 2.3 tp60 -101.01 -9.84 21.08 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.41 1.069 . . . . 73.329999999999998 110.293 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -116.93 -11.46 10.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.14 . . . . 70.129999999999995 110.243 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . 0.478 ' CE1' ' ND2' ' A' ' 81' ' ' ASN . 36.8 m-70 -125.97 16.91 7.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.45 1.093 . . . . 62.030000000000001 109.668 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . 0.48 ' HB3' ' O ' ' A' ' 95' ' ' TYR . 0.1 OUTLIER -55.46 156.51 4.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.548 1.155 . . . . 60.420000000000002 109.195 -179.875 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -125.02 170.16 11.42 Favored 'General case' 0 C--N 1.326 -0.413 0 O-C-N 124.485 1.116 . . . . 64.510000000000005 109.269 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 32.6 mtmt -60.03 -27.04 66.57 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 74.239999999999995 109.347 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . 0.493 ' HB3' ' CE2' ' A' ' 11' ' ' PHE . 0.5 OUTLIER -86.19 -15.92 39.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.433 1.083 . . . . 52.350000000000001 109.243 -179.972 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . 0.591 ' O ' ' CE2' ' A' ' 95' ' ' TYR . . . 90.63 -36.45 3.59 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.513 1.133 . . . . 42.140000000000001 110.948 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 18.4 m-85 -64.12 131.67 48.19 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.429 0.723 . . . . 73.230000000000004 110.991 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.808 HD21 ' CD2' ' A' ' 95' ' ' TYR . 0.2 OUTLIER -75.55 147.88 39.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.607 1.192 . . . . 74.420000000000002 109.414 179.964 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 60.0 m-85 -121.95 95.24 4.58 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.415 1.072 . . . . 64.400000000000006 111.038 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . 0.666 HG13 ' HA ' ' A' ' 33' ' ' CYS . 2.6 p -105.23 165.57 3.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.527 1.142 . . . . 71.319999999999993 109.372 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' THR . . . . . 0.993 HG21 ' HB3' ' A' ' 34' ' ' GLU . 0.4 OUTLIER -154.57 118.2 4.59 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.122 . . . . 74.209999999999994 110.382 179.967 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' TYR . . . . . 0.662 ' CD2' HD12 ' A' ' 76' ' ' ILE . 32.6 p90 -97.76 137.49 36.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.455 1.097 . . . . 63.539999999999999 110.976 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 1.2 p -132.3 158.22 42.42 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.532 1.145 . . . . 73.5 110.001 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' GLY . . . . . 0.508 ' H ' ' HG ' ' A' ' 39' ' ' SER . . . -81.87 0.95 87.77 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.473 1.108 . . . . 54.340000000000003 110.995 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -122.83 158.96 29.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 0.774 . . . . 65.25 110.387 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . 0.511 ' ND2' HD13 ' A' ' 84' ' ' LEU . 9.3 t-20 . . . . . 0 C--N 1.324 -0.536 0 O-C-N 124.425 1.078 . . . . 71.129999999999995 109.327 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 629' ' ' ILE . . . . . 0.555 ' HA ' HG11 ' A' ' 63' ' ' VAL . 0.5 OUTLIER . . . . . 0 CA--C 1.531 0.222 0 N-CA-C 109.209 -0.663 . . . . 61.409999999999997 109.209 . . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 630' ' ' ALA . . . . . 0.614 ' HB1' HD13 ' A' ' 55' ' ' LEU . . . . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 73.25 109.284 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.526 ' HG1' ' HA ' ' A' ' 46' ' ' LYS . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 110.332 -0.247 . . . . 74.439999999999998 110.332 . . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . 0.632 ' CZ ' ' OH ' ' A' ' 9' ' ' TYR . 28.7 t80 -63.95 -16.97 62.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.54 1.15 . . . . 75.109999999999999 111.109 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.622 ' HE3' ' HH ' ' A' ' 106' ' ' TYR . 4.9 tptt -100.64 -14.99 17.92 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.487 1.117 . . . . 72.109999999999999 109.312 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 10.0 t -96.03 5.28 51.53 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.524 1.14 . . . . 63.350000000000001 110.005 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -80.9 -64.67 1.14 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.553 1.158 . . . . 75.049999999999997 110.27 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . 0.632 ' OH ' ' CZ ' ' A' ' 5' ' ' PHE . 4.7 p90 -112.5 166.39 11.09 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.456 1.097 . . . . 62.130000000000003 111.008 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -74.97 -176.76 3.03 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.514 1.797 . . . . 44.439999999999998 111.056 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.442 ' CE1' ' HD3' ' A' ' 15' ' ' LYS . 22.7 t80 -63.86 -50.21 69.73 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.515 1.134 . . . . 73.120000000000005 111.004 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 25.6 mt-10 -47.78 -21.1 0.35 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.553 1.158 . . . . 72.25 110.347 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.515 ' CB ' ' HB2' ' A' ' 9' ' ' TYR . 0.1 OUTLIER -86.55 -54.5 4.37 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.548 1.155 . . . . 72.310000000000002 109.311 179.945 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.507 ' CZ ' ' OH ' ' A' ' 106' ' ' TYR . 22.0 ptt180 -65.47 -12.89 56.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 72.400000000000006 110.271 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.442 ' HD3' ' CE1' ' A' ' 11' ' ' PHE . 26.3 pttt -87.94 -40.62 13.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.549 1.156 . . . . 63.020000000000003 109.293 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -80.55 -8.43 59.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.573 1.17 . . . . 52.130000000000003 109.302 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.413 ' O ' ' CG ' ' A' ' 20' ' ' ARG . 3.3 tp10 -86.7 -61.98 1.61 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.519 1.137 . . . . 64.25 110.322 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.406 ' OG ' ' O ' ' A' ' 14' ' ' ARG . 0.0 OUTLIER -56.55 -17.99 10.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.102 . . . . 73.400000000000006 109.937 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -75.25 -37.37 61.02 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.463 1.102 . . . . 72.310000000000002 110.286 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.413 ' CG ' ' O ' ' A' ' 17' ' ' GLU . 6.3 ptm180 -87.19 -27.77 22.81 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.397 1.06 . . . . 74.030000000000001 110.253 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.456 ' O ' ' N ' ' A' ' 25' ' ' PHE . 3.6 mt -58.55 -19.84 15.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.129 . . . . 70.129999999999995 109.321 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.448 ' O ' ' HB3' ' A' ' 26' ' ' PRO . . . -70.48 -29.79 66.42 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.515 1.135 . . . . 53.32 109.298 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -84.12 -40.0 18.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.569 1.168 . . . . 74.040000000000006 109.284 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.55 ' HB3' ' CE2' ' A' ' 25' ' ' PHE . 10.7 mtp180 -80.29 -18.47 49.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.577 1.173 . . . . 72.200000000000003 110.302 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.55 ' CE2' ' HB3' ' A' ' 24' ' ' ARG . 39.7 m-85 -159.37 75.36 3.21 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 64.319999999999993 110.997 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . 0.448 ' HB3' ' O ' ' A' ' 22' ' ' ALA . 18.2 Cg_endo -75.03 -38.07 1.73 Allowed 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.491 1.785 . . . . 74.200000000000003 110.947 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 35.1 m-20 -91.74 41.48 1.07 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 72.439999999999998 109.314 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.57 ' HB3' HD11 ' A' ' 50' ' ' LEU . 2.6 mmt-85 -129.6 -178.43 4.68 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.127 . . . . 75.129999999999995 110.327 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.584 HG23 ' CB ' ' A' ' 95' ' ' TYR . 34.9 mm -146.56 97.11 4.35 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.462 1.101 . . . . 73.209999999999994 109.254 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.593 ' HD2' ' CE2' ' A' ' 95' ' ' TYR . 18.4 Cg_endo -74.93 139.93 25.04 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.48 1.779 . . . . 64.019999999999996 111.007 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.712 HG21 ' HB3' ' A' ' 105' ' ' LEU . 7.5 p -156.96 139.57 6.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 75.340000000000003 109.312 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.477 ' CG2' ' HB2' ' A' ' 47' ' ' ARG . 12.3 mm -100.24 116.77 44.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 65.239999999999995 109.352 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.558 ' HB2' ' CD2' ' A' ' 49' ' ' TYR . 0.5 OUTLIER -99.56 130.36 45.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 43.200000000000003 108.258 -179.948 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.746 ' CG ' HG21 ' A' ' 108' ' ' THR . 7.6 pt-20 -127.4 166.07 18.58 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 74.129999999999995 110.267 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.496 ' HG2' ' CE1' ' A' ' 109' ' ' TYR . 0.0 OUTLIER -107.62 97.41 7.14 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.484 1.115 . . . . 74.109999999999999 109.231 -179.922 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.622 ' HB2' HG23 ' A' ' 108' ' ' THR . . . -38.7 141.93 0.24 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.432 1.083 . . . . 61.539999999999999 109.303 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.422 ' CG ' ' N ' ' A' ' 38' ' ' LYS . 9.9 pt-20 -67.95 -53.07 29.0 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.467 1.104 . . . . 72.099999999999994 110.242 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.422 ' N ' ' CG ' ' A' ' 37' ' ' GLU . 35.9 mttp -47.16 -25.29 0.86 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.453 1.095 . . . . 70.129999999999995 109.306 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.413 ' N ' ' C ' ' A' ' 37' ' ' GLU . 2.9 t -59.79 156.69 13.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 61.219999999999999 110.034 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -115.95 -0.58 12.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.111 . . . . 65.120000000000005 109.334 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.577 HD12 ' CE1' ' A' ' 109' ' ' TYR . 0.1 OUTLIER -77.78 170.08 17.97 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 75.430000000000007 109.297 -179.971 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . 0.406 ' HD2' ' HB ' ' A' ' 41' ' ' ILE . 18.2 Cg_endo -75.02 129.34 12.24 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.599 1.842 . . . . 64.400000000000006 110.93 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 14.0 tt0 -57.96 166.34 1.53 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.432 1.082 . . . . 74.430000000000007 110.285 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.889 ' CD1' ' HH ' ' A' ' 49' ' ' TYR . 17.3 tt -96.54 167.37 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 73.530000000000001 109.217 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . 0.707 ' HB3' ' HZ1' ' A' ' 46' ' ' LYS . 7.9 t0 -69.23 -51.75 34.62 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.415 1.072 . . . . 74.129999999999995 109.356 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.707 ' HZ1' ' HB3' ' A' ' 45' ' ' ASP . 0.0 OUTLIER -144.45 177.07 8.91 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.524 1.14 . . . . 72.310000000000002 109.363 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.477 ' HB2' ' CG2' ' A' ' 32' ' ' ILE . 7.7 ptp180 -124.42 92.74 3.73 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 73.310000000000002 110.291 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.57 ' HG3' ' CZ ' ' A' ' 5' ' ' PHE . 4.1 tmtt? -167.69 115.09 0.75 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.443 1.089 . . . . 65.409999999999997 109.3 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.889 ' HH ' ' CD1' ' A' ' 44' ' ' ILE . 58.5 m-85 -139.21 116.11 10.88 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.542 1.151 . . . . 72.340000000000003 110.946 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.57 HD11 ' HB3' ' A' ' 28' ' ' ARG . 11.6 tp -106.32 75.55 1.09 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 74.329999999999998 109.243 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.829 HG22 ' SD ' ' A' ' 91' ' ' MET . 34.1 m -75.11 156.06 86.07 Favored Pre-proline 0 C--N 1.324 -0.536 0 O-C-N 124.492 1.12 . . . . 63.399999999999999 109.312 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -74.88 174.3 12.99 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.411 1.743 . . . . 72.439999999999998 111.055 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -87.38 18.81 3.57 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 72.450000000000003 109.355 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -120.11 -38.38 2.94 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 72.409999999999997 109.359 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.571 HD22 ' O ' ' B' ' 630' ' ' ALA . 0.7 OUTLIER -58.53 148.93 26.84 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.44 1.088 . . . . 73.349999999999994 109.269 179.944 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.49 HG23 ' CD1' ' A' ' 90' ' ' LEU . 1.3 p -106.61 -158.2 0.65 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 33.539999999999999 110.405 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.67 ' O ' HG21 ' A' ' 61' ' ' VAL . 2.6 t -86.81 -41.37 14.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 60.439999999999998 109.192 -179.917 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -66.73 -27.73 73.42 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.5 1.125 . . . . 73.230000000000004 111.044 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . 0.411 ' CB ' ' HG ' ' A' ' 55' ' ' LEU . 11.6 mt-30 -81.16 -25.52 36.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 0.776 . . . . 74.530000000000001 110.275 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.407 ' HE1' ' CD1' ' A' ' 49' ' ' TYR . 36.0 t80 -78.85 -42.6 27.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 73.030000000000001 110.988 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.72 HG13 HG23 ' A' ' 76' ' ' ILE . 89.6 t -55.43 -32.52 29.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 73.010000000000005 109.297 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.401 ' HB3' ' O ' ' A' ' 59' ' ' GLN . 1.6 t80 -57.11 -43.29 82.14 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.518 1.136 . . . . 74.540000000000006 110.939 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.626 HG22 ' C ' ' B' ' 630' ' ' ALA . 28.5 t -68.64 -46.5 79.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 65.319999999999993 109.328 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.642 ' CD1' ' CZ ' ' A' ' 49' ' ' TYR . 18.3 mm -59.2 -34.41 53.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.591 1.182 . . . . 74.049999999999997 109.334 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.499 ' HE ' HG22 ' A' ' 76' ' ' ILE . 6.0 tpp85 -79.36 -6.4 56.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 63.25 110.369 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 2.2 mttm -98.0 -35.69 10.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.453 1.096 . . . . 71.450000000000003 109.295 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.45 -39.79 84.78 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.565 1.165 . . . . 74.150000000000006 110.299 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.486 HD12 HD13 ' A' ' 76' ' ' ILE . 2.5 pt -103.89 6.96 10.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.461 1.101 . . . . 74.209999999999994 109.253 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 4.7 ptt? 38.11 43.42 0.56 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.443 1.089 . . . . 64.340000000000003 110.972 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.43 HD12 ' HA ' ' A' ' 70' ' ' LEU . 5.5 tp -53.47 140.48 46.23 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.424 1.077 . . . . 62.43 109.316 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 170.1 21.15 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.489 1.784 . . . . 75.310000000000002 111.003 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.92 -1.36 11.1 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.515 1.797 . . . . 73.310000000000002 110.977 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 20.1 pt-20 -94.12 -14.91 25.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.109 . . . . 75.109999999999999 110.337 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 11.8 mttt -107.43 -179.5 3.94 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.122 . . . . 74.239999999999995 109.29 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -144.71 170.26 16.42 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.467 1.105 . . . . 54.009999999999998 109.36 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.81 HD12 ' CD1' ' A' ' 109' ' ' TYR . 1.3 tt -154.49 129.44 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 71.129999999999995 109.311 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . 0.684 ' HB3' HD11 ' A' ' 84' ' ' LEU . 95.7 m-85 -129.07 136.36 50.15 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.459 1.099 . . . . 70.230000000000004 110.997 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.642 ' CG1' HG23 ' A' ' 61' ' ' VAL . 4.8 mm -86.49 130.64 36.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.456 1.097 . . . . 70.040000000000006 109.31 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -119.98 121.17 38.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.572 1.17 . . . . 63.119999999999997 111.039 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.824 HG23 ' ND2' ' A' ' 81' ' ' ASN . 13.1 p -124.33 113.58 37.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 75.209999999999994 109.311 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . 0.824 ' ND2' HG23 ' A' ' 80' ' ' VAL . 0.9 OUTLIER 67.25 32.44 6.0 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.467 1.104 . . . . 74.420000000000002 109.315 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 15.1 t0 66.35 14.54 9.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.423 1.077 . . . . 75.129999999999995 109.297 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' THR . . . . . 0.51 ' O ' ' CG2' ' A' ' 83' ' ' THR . 0.5 OUTLIER -125.45 111.75 15.46 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.436 1.085 . . . . 74.25 110.382 -179.961 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.684 HD11 ' HB3' ' A' ' 77' ' ' PHE . 0.4 OUTLIER -72.11 116.87 53.07 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.539 1.149 . . . . 64.219999999999999 109.32 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . 0.446 ' HD3' HG12 ' A' ' 80' ' ' VAL . 18.3 Cg_endo -74.91 159.87 41.12 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.375 1.724 . . . . 73.140000000000001 111.005 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . 0.786 ' HD2' ' HB2' ' A' ' 89' ' ' ALA . 18.8 Cg_endo -75.0 177.85 8.05 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.544 1.813 . . . . 70.439999999999998 111.003 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 4.6 p -79.33 -33.6 42.97 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.507 1.13 . . . . 62.409999999999997 110.403 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -84.08 9.62 12.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.1 . . . . 71.439999999999998 109.347 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . 1.065 ' HB1' HD12 ' A' ' 94' ' ' ILE . . . -74.71 63.2 1.12 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 73.430000000000007 109.27 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.531 ' C ' ' O ' ' A' ' 89' ' ' ALA . 0.7 OUTLIER -30.37 111.19 0.07 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 71.209999999999994 109.333 179.97 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' MET . . . . . 0.829 ' SD ' HG22 ' A' ' 51' ' ' VAL . 0.0 OUTLIER -37.37 -30.27 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.135 . . . . 71.209999999999994 110.961 -179.965 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' SER . . . . . 0.46 ' N ' ' O ' ' A' ' 90' ' ' LEU . 2.2 t -63.37 -52.23 62.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.146 . . . . 61.219999999999999 110.009 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . 0.463 ' N ' ' O ' ' A' ' 90' ' ' LEU . . . -67.99 -32.45 72.85 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.456 1.097 . . . . 70.439999999999998 109.207 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 1.065 HD12 ' HB1' ' A' ' 89' ' ' ALA . 25.5 mm -64.49 -47.1 90.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.426 1.079 . . . . 61.530000000000001 109.308 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' TYR . . . . . 0.593 ' CE2' ' HD2' ' A' ' 30' ' ' PRO . 33.6 t80 -70.54 -4.58 23.7 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.465 1.103 . . . . 52.140000000000001 110.935 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . 0.454 ' O ' ' CG ' ' A' ' 96' ' ' GLN . 32.3 tp60 -104.19 -9.21 18.82 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.406 1.067 . . . . 73.329999999999998 110.383 179.882 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . 0.546 ' HG3' ' CE1' ' A' ' 98' ' ' HIS . 10.4 pt-20 -119.59 -7.61 10.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.142 . . . . 70.129999999999995 110.307 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . 0.566 ' HD2' HG23 ' A' ' 94' ' ' ILE . 23.7 m-70 -129.51 17.6 5.88 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.384 1.052 . . . . 62.030000000000001 109.627 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . 0.492 ' HB3' ' O ' ' A' ' 95' ' ' TYR . 0.1 OUTLIER -60.29 160.25 8.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 60.420000000000002 109.293 -180.0 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -125.91 166.3 17.15 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 64.510000000000005 109.284 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 24.4 mtmt -54.02 -47.47 71.5 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.536 1.148 . . . . 74.239999999999995 109.292 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . 0.518 ' HD2' ' HE1' ' A' ' 106' ' ' TYR . 0.4 OUTLIER -66.95 -19.95 65.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.43 1.081 . . . . 52.350000000000001 109.262 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 101.04 -39.38 2.76 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.547 1.154 . . . . 42.140000000000001 111.035 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . 0.459 ' O ' ' CE1' ' A' ' 106' ' ' TYR . 1.5 m-85 -59.54 134.6 57.17 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.421 0.718 . . . . 73.230000000000004 110.996 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.712 ' HB3' HG21 ' A' ' 31' ' ' VAL . 4.3 tp -81.13 167.32 19.81 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.452 1.095 . . . . 74.420000000000002 109.251 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . 0.622 ' HH ' ' HE3' ' A' ' 6' ' ' LYS . 91.7 m-85 -145.07 131.54 19.75 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.511 1.132 . . . . 64.400000000000006 111.007 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . 0.756 HG21 ' N ' ' A' ' 108' ' ' THR . 1.5 m -138.24 -177.66 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.459 1.099 . . . . 71.319999999999993 109.319 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' THR . . . . . 0.756 ' N ' HG21 ' A' ' 107' ' ' VAL . 1.6 m -153.67 107.88 3.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 74.209999999999994 110.374 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' TYR . . . . . 0.81 ' CD1' HD12 ' A' ' 76' ' ' ILE . 9.7 p90 -95.2 122.08 37.51 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.518 1.136 . . . . 63.539999999999999 111.01 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 35.9 t -131.98 165.3 24.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.105 . . . . 73.5 109.961 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -81.18 2.17 82.38 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.488 1.117 . . . . 54.340000000000003 111.051 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -123.2 166.89 14.46 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.493 0.76 . . . . 65.25 110.29 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 63.2 t-20 . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.101 . . . . 71.129999999999995 109.304 179.984 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 629' ' ' ILE . . . . . 0.485 ' C ' HD13 ' B' ' 629' ' ' ILE . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 109.32 -0.622 . . . . 61.409999999999997 109.32 . . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 630' ' ' ALA . . . . . 0.648 ' HA ' HG12 ' A' ' 51' ' ' VAL . . . . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 73.25 109.303 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.81 ' HG1' ' HB3' ' A' ' 46' ' ' LYS . 22.5 p . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 110.319 -0.252 . . . . 74.439999999999998 110.319 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . 0.598 ' CZ ' ' OH ' ' A' ' 9' ' ' TYR . 85.6 t80 -60.6 -32.54 71.66 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.097 . . . . 75.109999999999999 111.007 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.583 ' HZ3' ' HB3' ' A' ' 6' ' ' LYS . 0.0 OUTLIER -100.55 3.86 43.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.456 1.098 . . . . 72.109999999999999 109.303 179.93 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 40.0 t -109.44 5.27 23.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 63.350000000000001 110.097 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -93.35 -57.92 2.46 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.465 1.103 . . . . 75.049999999999997 110.281 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . 0.598 ' OH ' ' CZ ' ' A' ' 5' ' ' PHE . 2.3 p90 -120.79 164.94 20.34 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 62.130000000000003 110.994 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.92 173.91 13.67 Favored 'Trans proline' 0 C--N 1.361 1.223 0 O-C-N 124.466 1.772 . . . . 44.439999999999998 111.078 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.563 ' CE1' ' HB3' ' A' ' 102' ' ' ASP . 4.8 t80 -59.34 -56.45 21.92 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.482 1.114 . . . . 73.120000000000005 110.981 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.402 ' N ' ' CD2' ' A' ' 11' ' ' PHE . 23.6 mt-10 -38.57 -30.14 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.64 1.213 . . . . 72.25 110.33 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.508 ' O ' ' HB3' ' A' ' 16' ' ' ALA . 2.1 tppt? -79.07 -51.6 9.35 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.581 1.175 . . . . 72.310000000000002 109.258 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.706 ' CD ' ' CD2' ' A' ' 104' ' ' PHE . 0.1 OUTLIER -56.44 -53.82 52.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 72.400000000000006 110.378 179.95 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 5.1 pttt -45.28 -42.59 9.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.138 . . . . 63.020000000000003 109.368 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.508 ' HB3' ' O ' ' A' ' 13' ' ' LYS . . . -54.96 -40.03 69.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.558 1.161 . . . . 52.130000000000003 109.314 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.441 ' N ' ' O ' ' A' ' 14' ' ' ARG . 24.9 tp10 -62.32 -43.93 97.68 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.437 1.086 . . . . 64.25 110.261 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.462 ' HB3' ' CD2' ' A' ' 104' ' ' PHE . 0.1 OUTLIER -68.97 -22.86 64.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 73.400000000000006 109.982 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 16.8 mm-40 -72.22 -23.75 61.29 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.352 1.033 . . . . 72.310000000000002 110.33 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.436 ' CG ' ' O ' ' A' ' 17' ' ' GLU . 3.3 ptp180 -101.74 -31.15 10.91 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.529 1.143 . . . . 74.030000000000001 110.235 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.415 ' N ' ' HG3' ' A' ' 20' ' ' ARG . 4.3 mt -65.94 -19.51 25.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 70.129999999999995 109.311 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -74.31 -20.02 60.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.437 1.085 . . . . 53.32 109.286 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -105.92 -11.04 16.34 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.443 1.089 . . . . 74.040000000000006 109.31 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 12.7 mmm180 -94.03 -55.24 3.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.107 . . . . 72.200000000000003 110.269 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.45 ' HB3' ' CG ' ' A' ' 28' ' ' ARG . 5.0 m-85 -132.76 86.01 45.27 Favored Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.562 1.164 . . . . 64.319999999999993 110.909 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -32.45 5.33 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.554 1.818 . . . . 74.200000000000003 111.037 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 22.7 m-20 -91.23 40.12 1.02 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.461 1.101 . . . . 72.439999999999998 109.309 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.45 ' CG ' ' HB3' ' A' ' 25' ' ' PHE . 8.4 mmt-85 -128.43 178.39 6.31 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.554 1.159 . . . . 75.129999999999995 110.275 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.58 HG23 ' CB ' ' A' ' 95' ' ' TYR . 23.6 mm -142.15 93.66 7.23 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.429 1.081 . . . . 73.209999999999994 109.279 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.6 ' HD2' ' CE2' ' A' ' 95' ' ' TYR . 18.1 Cg_endo -74.99 119.0 5.47 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.474 1.776 . . . . 64.019999999999996 111.02 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.53 HG13 HG23 ' A' ' 51' ' ' VAL . 1.0 OUTLIER -127.66 173.2 13.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.607 1.192 . . . . 75.340000000000003 109.301 -179.988 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.678 HG22 ' HB2' ' A' ' 47' ' ' ARG . 4.8 mm -137.05 99.11 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.485 1.116 . . . . 65.239999999999995 109.26 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.605 ' HA ' HG13 ' A' ' 107' ' ' VAL . 0.5 OUTLIER -84.86 123.87 30.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.138 . . . . 43.200000000000003 108.284 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.488 ' O ' ' CG2' ' A' ' 108' ' ' THR . 53.4 tt0 -135.02 152.43 51.71 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.484 1.115 . . . . 74.129999999999995 110.265 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 1.003 ' HZ1' ' CB ' ' A' ' 39' ' ' SER . 0.3 OUTLIER -87.44 123.82 32.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.452 1.095 . . . . 74.109999999999999 109.336 180.0 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.452 ' N ' ' HD2' ' A' ' 35' ' ' LYS . . . -57.02 -179.73 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 61.539999999999999 109.316 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.432 ' CG ' ' N ' ' A' ' 38' ' ' LYS . 12.9 pt-20 -96.96 -50.15 4.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 72.099999999999994 110.294 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.432 ' N ' ' CG ' ' A' ' 37' ' ' GLU . 38.0 mttp -57.65 -43.67 85.09 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.452 1.095 . . . . 70.129999999999995 109.319 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 1.003 ' CB ' ' HZ1' ' A' ' 35' ' ' LYS . 0.1 OUTLIER -40.72 158.32 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 61.219999999999999 109.976 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -122.48 21.01 10.31 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.489 1.118 . . . . 65.120000000000005 109.282 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.619 HD12 ' CE2' ' A' ' 109' ' ' TYR . 0.1 OUTLIER -89.48 166.07 22.83 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.466 1.104 . . . . 75.430000000000007 109.276 179.992 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . 0.458 ' O ' HG21 ' A' ' 68' ' ' ILE . 18.4 Cg_endo -74.98 114.71 4.09 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.524 1.802 . . . . 64.400000000000006 110.99 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -48.97 156.49 0.5 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 74.430000000000007 110.322 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 1.016 ' CD1' ' HH ' ' A' ' 49' ' ' TYR . 5.7 tt -92.17 164.27 2.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.554 1.159 . . . . 73.530000000000001 109.322 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . 0.437 ' N ' ' CG1' ' A' ' 44' ' ' ILE . 1.4 m-20 -55.78 -57.66 11.09 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.447 1.092 . . . . 74.129999999999995 109.307 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.81 ' HB3' ' HG1' ' A' ' 4' ' ' THR . 0.0 OUTLIER -148.79 166.71 27.65 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.425 1.078 . . . . 72.310000000000002 109.38 179.961 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.678 ' HB2' HG22 ' A' ' 32' ' ' ILE . 10.8 ptm180 -107.56 95.25 5.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.425 1.078 . . . . 73.310000000000002 110.292 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.514 ' HB2' ' CG ' ' A' ' 5' ' ' PHE . 12.5 tptp -166.34 105.7 0.65 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 65.409999999999997 109.229 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 1.016 ' HH ' ' CD1' ' A' ' 44' ' ' ILE . 23.8 m-85 -129.15 147.65 51.02 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.489 1.118 . . . . 72.340000000000003 110.997 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.453 HD13 ' HA ' ' A' ' 30' ' ' PRO . 3.1 tp -132.27 77.47 1.76 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.392 1.058 . . . . 74.329999999999998 109.304 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.762 HG11 ' CD1' ' A' ' 60' ' ' PHE . 19.0 m -80.62 149.83 68.74 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 63.399999999999999 109.295 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . 0.427 ' HD3' ' CB ' ' B' ' 630' ' ' ALA . 18.2 Cg_endo -75.03 -178.36 4.12 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.518 1.799 . . . . 72.439999999999998 111.029 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -93.26 18.1 10.09 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.466 1.104 . . . . 72.450000000000003 109.277 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -118.58 -38.25 3.16 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.466 1.104 . . . . 72.409999999999997 109.29 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.434 ' HG ' ' CB ' ' A' ' 59' ' ' GLN . 0.7 OUTLIER -58.53 134.38 56.65 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.502 1.126 . . . . 73.349999999999994 109.201 -179.923 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 1.077 HG23 ' CD2' ' A' ' 90' ' ' LEU . 5.0 p -94.13 176.0 6.49 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 33.539999999999999 110.374 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.404 ' HB ' ' O ' ' A' ' 86' ' ' PRO . 2.9 t -63.7 -48.78 85.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 60.439999999999998 109.282 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -64.64 -10.64 45.25 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.534 1.146 . . . . 73.230000000000004 111.071 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . 0.434 ' CB ' ' HG ' ' A' ' 55' ' ' LEU . 5.4 mt-30 -96.48 -25.5 15.64 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 0.752 . . . . 74.530000000000001 110.283 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.762 ' CD1' HG11 ' A' ' 51' ' ' VAL . 32.8 t80 -75.52 -47.62 26.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.579 1.174 . . . . 73.030000000000001 110.998 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.69 HG23 ' CG1' ' A' ' 78' ' ' ILE . 59.4 t -44.16 -39.29 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 O-C-N 124.378 1.049 . . . . 73.010000000000005 109.326 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.529 ' CG ' ' N ' ' A' ' 63' ' ' VAL . 0.2 OUTLIER -53.91 -62.72 1.47 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.151 . . . . 74.540000000000006 111.028 179.923 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.767 HG22 ' HA ' ' B' ' 630' ' ' ALA . 78.8 t -43.48 -36.17 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.107 . . . . 65.319999999999993 109.301 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.612 ' CD1' ' CE2' ' A' ' 49' ' ' TYR . 4.4 mm -68.84 -61.91 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 74.049999999999997 109.351 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.454 ' CD ' ' HB3' ' A' ' 70' ' ' LEU . 6.8 tpp85 -44.26 -28.1 0.49 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.528 1.142 . . . . 63.25 110.301 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 2.2 mptp? -77.2 -43.62 33.01 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.502 1.126 . . . . 71.450000000000003 109.275 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . 0.464 ' N ' ' O ' ' A' ' 64' ' ' ILE . 0.4 OUTLIER -59.43 -15.08 14.83 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.478 1.111 . . . . 74.150000000000006 110.294 -179.928 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.642 HD12 ' CD1' ' A' ' 76' ' ' ILE . 2.1 pt -130.57 7.5 2.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.515 1.134 . . . . 74.209999999999994 109.306 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' MET . . . . . 0.449 ' N ' ' O ' ' A' ' 65' ' ' ARG . 0.0 OUTLIER 35.5 34.34 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.581 1.176 . . . . 64.340000000000003 111.0 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.454 ' HB3' ' CD ' ' A' ' 65' ' ' ARG . 5.9 tp -49.32 140.01 13.42 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.442 1.088 . . . . 62.43 109.323 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 165.72 30.66 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.579 1.831 . . . . 75.310000000000002 111.016 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 1.15 8.08 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.517 1.798 . . . . 73.310000000000002 111.001 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -99.0 6.76 46.54 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.517 1.136 . . . . 75.109999999999999 110.358 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.29 178.64 4.57 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.426 1.079 . . . . 74.239999999999995 109.297 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -138.58 149.14 44.98 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.503 1.127 . . . . 54.009999999999998 109.307 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.67 HD12 ' CD2' ' A' ' 109' ' ' TYR . 2.3 tt -142.7 122.51 9.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.558 1.161 . . . . 71.129999999999995 109.27 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . 0.424 ' HB3' HD22 ' A' ' 84' ' ' LEU . 90.1 m-85 -121.19 137.48 54.65 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 70.230000000000004 110.99 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.69 ' CG1' HG23 ' A' ' 61' ' ' VAL . 4.1 mm -84.43 147.41 5.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.53 1.144 . . . . 70.040000000000006 109.342 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -136.49 124.45 22.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.106 . . . . 63.119999999999997 111.012 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.756 ' O ' HG23 ' A' ' 83' ' ' THR . 1.9 t -126.57 104.4 12.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 75.209999999999994 109.317 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . 0.53 HD22 ' ND1' ' A' ' 98' ' ' HIS . 1.9 m-80 69.77 23.34 5.72 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.501 1.125 . . . . 74.420000000000002 109.282 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . 0.49 ' CB ' ' O ' ' A' ' 81' ' ' ASN . 3.5 m-20 81.73 23.57 0.26 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 75.129999999999995 109.239 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' THR . . . . . 0.756 HG23 ' O ' ' A' ' 80' ' ' VAL . 1.2 t -121.22 152.08 39.25 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.525 1.141 . . . . 74.25 110.432 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.52 HD13 ' ND2' ' A' ' 113' ' ' ASN . 2.1 mt -113.74 102.43 54.8 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.564 1.165 . . . . 64.219999999999999 109.307 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.08 155.09 42.55 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.475 1.776 . . . . 73.140000000000001 110.975 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . 0.726 ' HD2' ' HB2' ' A' ' 89' ' ' ALA . 18.2 Cg_endo -75.01 177.84 8.06 Favored 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.449 1.763 . . . . 70.439999999999998 110.97 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 15.8 p -78.43 -34.41 47.89 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.571 1.169 . . . . 62.409999999999997 110.347 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -79.58 4.31 16.27 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.448 1.093 . . . . 71.439999999999998 109.304 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . 1.061 ' HB1' HD12 ' A' ' 94' ' ' ILE . . . -77.89 61.54 2.53 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.571 1.17 . . . . 73.430000000000007 109.264 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 1.077 ' CD2' HG23 ' A' ' 56' ' ' THR . 16.7 mt -29.35 125.65 0.12 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 71.209999999999994 109.27 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' MET . . . . . 0.44 ' HE1' ' HB3' ' A' ' 91' ' ' MET . 47.2 mmm -52.09 -20.11 2.3 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 71.209999999999994 110.967 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 25.1 t -73.29 -35.13 66.08 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.576 1.172 . . . . 61.219999999999999 109.905 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -89.12 -9.32 51.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 70.439999999999998 109.289 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 1.061 HD12 ' HB1' ' A' ' 89' ' ' ALA . 27.3 mm -87.65 -47.45 15.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.553 1.158 . . . . 61.530000000000001 109.248 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' TYR . . . . . 0.821 ' CD2' HD21 ' A' ' 105' ' ' LEU . 6.1 t80 -69.03 -6.45 28.06 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.6 1.187 . . . . 52.140000000000001 111.085 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -99.03 -13.35 19.91 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.523 1.139 . . . . 73.329999999999998 110.357 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -113.76 -11.42 12.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 70.129999999999995 110.373 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . 0.53 ' ND1' HD22 ' A' ' 81' ' ' ASN . 51.3 m-70 -124.82 16.48 8.66 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.589 1.181 . . . . 62.030000000000001 109.621 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . 0.481 ' HB3' ' O ' ' A' ' 95' ' ' TYR . 0.1 OUTLIER -55.21 154.07 6.22 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.567 1.167 . . . . 60.420000000000002 109.374 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . 0.441 ' OD1' ' CE2' ' A' ' 106' ' ' TYR . 0.7 OUTLIER -121.81 177.16 5.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 64.510000000000005 109.252 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 17.4 mtpt -55.89 -51.42 67.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.563 1.164 . . . . 74.239999999999995 109.335 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . 0.573 ' HD2' HH21 ' A' ' 14' ' ' ARG . 8.7 p-10 -67.97 -15.38 63.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 52.350000000000001 109.327 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . 0.515 ' O ' ' CZ ' ' A' ' 95' ' ' TYR . . . 95.78 -39.34 2.86 Favored Glycine 0 CA--C 1.531 1.09 0 O-C-N 124.517 1.135 . . . . 42.140000000000001 110.995 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . 0.706 ' CD2' ' CD ' ' A' ' 14' ' ' ARG . 9.6 m-85 -51.14 155.85 1.22 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.522 0.777 . . . . 73.230000000000004 110.974 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.821 HD21 ' CD2' ' A' ' 95' ' ' TYR . 0.2 OUTLIER -99.83 139.91 34.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 74.420000000000002 109.335 179.938 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . 0.606 ' CZ ' ' NH2' ' A' ' 14' ' ' ARG . 60.7 m-85 -114.54 90.01 3.24 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.448 1.092 . . . . 64.400000000000006 110.987 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . 0.621 ' CG2' ' CG2' ' A' ' 78' ' ' ILE . 9.9 p -101.13 165.61 2.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 71.319999999999993 109.214 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' THR . . . . . 0.488 ' CG2' ' O ' ' A' ' 34' ' ' GLU . 0.3 OUTLIER -153.36 128.97 10.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.139 . . . . 74.209999999999994 110.316 -179.981 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' TYR . . . . . 0.703 ' HH ' ' CG2' ' A' ' 44' ' ' ILE . 37.6 p90 -108.54 132.92 53.36 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.51 1.131 . . . . 63.539999999999999 110.968 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 1.4 t -130.05 164.16 24.95 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.519 1.137 . . . . 73.5 110.056 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' GLY . . . . . 0.457 ' HA3' ' CG2' ' A' ' 41' ' ' ILE . . . -85.03 3.31 87.45 Favored Glycine 0 CA--C 1.531 1.069 0 O-C-N 124.451 1.094 . . . . 54.340000000000003 111.008 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -122.89 152.84 40.39 Favored 'General case' 0 C--N 1.327 -0.403 0 O-C-N 124.492 0.76 . . . . 65.25 110.263 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . 0.52 ' ND2' HD13 ' A' ' 84' ' ' LEU . 9.4 t-20 . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.441 1.088 . . . . 71.129999999999995 109.29 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 629' ' ' ILE . . . . . 0.701 ' C ' HG11 ' A' ' 63' ' ' VAL . 0.8 OUTLIER . . . . . 0 N--CA 1.452 -0.34 0 N-CA-C 109.301 -0.629 . . . . 61.409999999999997 109.301 . . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 630' ' ' ALA . . . . . 0.767 ' HA ' HG22 ' A' ' 63' ' ' VAL . . . . . . . . 0 C--N 1.323 -0.576 0 O-C-N 124.569 1.168 . . . . 73.25 109.348 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.641 ' HG1' ' HA ' ' A' ' 46' ' ' LYS . 4.6 p . . . . . 0 N--CA 1.454 -0.23 0 N-CA-C 110.372 -0.233 . . . . 74.439999999999998 110.372 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . 0.601 ' CZ ' ' OH ' ' A' ' 9' ' ' TYR . 40.1 t80 -56.23 -24.89 45.13 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.525 1.141 . . . . 75.109999999999999 111.016 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.551 ' CG ' ' NH2' ' A' ' 14' ' ' ARG . 0.2 OUTLIER -100.63 -24.42 14.44 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.472 1.108 . . . . 72.109999999999999 109.258 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 22.7 t -73.05 -3.23 24.97 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.525 1.141 . . . . 63.350000000000001 109.983 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . 0.518 ' HB3' ' CD2' ' A' ' 9' ' ' TYR . 1.3 tp10 -86.49 -52.06 5.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 75.049999999999997 110.304 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . 0.601 ' OH ' ' CZ ' ' A' ' 5' ' ' PHE . 2.8 p90 -124.88 166.68 18.93 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.546 1.154 . . . . 62.130000000000003 110.96 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -177.11 3.24 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.488 1.783 . . . . 44.439999999999998 110.983 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.542 ' CE2' ' HB3' ' A' ' 102' ' ' ASP . 20.2 t80 -62.42 -60.91 2.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 73.120000000000005 110.991 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -38.84 -31.4 0.06 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.565 1.166 . . . . 72.25 110.254 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.497 ' CB ' ' HB2' ' A' ' 9' ' ' TYR . 15.9 mmtt -70.97 -54.6 10.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 72.310000000000002 109.319 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.573 ' HD2' ' CD1' ' A' ' 104' ' ' PHE . 4.0 tpp85 -55.42 -60.19 3.75 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.478 1.111 . . . . 72.400000000000006 110.247 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.41 ' CG ' ' N ' ' A' ' 16' ' ' ALA . 27.0 pttt -42.13 -46.52 4.36 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.431 1.082 . . . . 63.020000000000003 109.388 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.496 ' HB3' ' O ' ' A' ' 13' ' ' LYS . . . -50.94 -45.89 60.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.613 1.196 . . . . 52.130000000000003 109.343 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.59 ' HG2' HD13 ' A' ' 21' ' ' ILE . 62.9 tt0 -50.18 -33.74 20.25 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.47 1.106 . . . . 64.25 110.273 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -80.12 -23.93 40.86 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.507 1.129 . . . . 73.400000000000006 109.938 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.425 ' N ' ' O ' ' A' ' 16' ' ' ALA . 71.3 mt-10 -68.96 -28.28 66.49 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.522 1.139 . . . . 72.310000000000002 110.357 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.407 ' HG3' ' N ' ' A' ' 21' ' ' ILE . 5.2 ptp180 -100.73 -34.27 9.92 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.441 1.088 . . . . 74.030000000000001 110.249 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.59 HD13 ' HG2' ' A' ' 17' ' ' GLU . 8.1 mt -65.55 -20.88 28.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.487 1.117 . . . . 70.129999999999995 109.247 -179.921 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -83.12 -15.11 52.05 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.494 1.121 . . . . 53.32 109.273 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -105.87 -23.45 12.68 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.518 1.136 . . . . 74.040000000000006 109.29 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 11.2 mtm180 -91.85 -54.38 3.88 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.531 1.144 . . . . 72.200000000000003 110.273 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.414 ' HB3' ' CG ' ' A' ' 28' ' ' ARG . 3.1 m-85 -131.62 84.94 53.68 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 64.319999999999993 111.031 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.95 -27.8 9.81 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.496 1.788 . . . . 74.200000000000003 110.962 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 77.2 m-20 -92.06 37.42 0.98 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.451 1.094 . . . . 72.439999999999998 109.296 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.414 ' CG ' ' HB3' ' A' ' 25' ' ' PHE . 10.1 mmt-85 -119.14 174.09 6.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.107 . . . . 75.129999999999995 110.227 -179.894 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.717 HG23 ' CB ' ' A' ' 95' ' ' TYR . 13.0 mm -137.27 91.51 14.43 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.122 . . . . 73.209999999999994 109.252 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.747 ' HA ' HD23 ' A' ' 50' ' ' LEU . 18.1 Cg_endo -75.01 103.85 1.8 Allowed 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.556 1.819 . . . . 64.019999999999996 111.003 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.497 ' HA ' ' CB ' ' A' ' 105' ' ' LEU . 2.4 p -119.58 165.36 15.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.587 1.179 . . . . 75.340000000000003 109.265 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.56 ' CD1' ' NH2' ' A' ' 14' ' ' ARG . 5.8 mm -127.65 106.21 14.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.45 1.094 . . . . 65.239999999999995 109.389 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.865 ' HG ' HD13 ' A' ' 64' ' ' ILE . 1.4 t -81.52 124.98 29.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.103 . . . . 43.200000000000003 108.25 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.899 ' HB3' HG21 ' A' ' 108' ' ' THR . 73.3 tt0 -122.26 160.69 24.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.578 1.173 . . . . 74.129999999999995 110.242 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.684 ' HZ1' ' HB3' ' A' ' 39' ' ' SER . 0.3 OUTLIER -109.17 120.08 41.46 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.459 1.099 . . . . 74.109999999999999 109.331 -179.974 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.511 ' HB3' ' HB2' ' A' ' 39' ' ' SER . . . -49.87 169.07 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 61.539999999999999 109.268 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.438 ' CG ' ' N ' ' A' ' 38' ' ' LYS . 17.7 pt-20 -94.47 -49.78 5.52 Favored 'General case' 0 C--N 1.326 -0.413 0 O-C-N 124.481 1.113 . . . . 72.099999999999994 110.244 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.438 ' N ' ' CG ' ' A' ' 37' ' ' GLU . 48.8 mttm -58.4 -22.39 53.82 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.527 1.142 . . . . 70.129999999999995 109.293 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.684 ' HB3' ' HZ1' ' A' ' 35' ' ' LYS . 0.8 OUTLIER -57.21 162.73 2.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 61.219999999999999 110.015 -179.973 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 24.5 m-20 -123.55 1.11 8.88 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.129 . . . . 65.120000000000005 109.217 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.59 HD12 ' CE2' ' A' ' 109' ' ' TYR . 0.1 OUTLIER -74.65 166.41 45.44 Favored Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.407 1.067 . . . . 75.430000000000007 109.282 179.978 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . 0.45 ' O ' HG21 ' A' ' 68' ' ' ILE . 18.0 Cg_endo -75.05 123.27 7.74 Favored 'Trans proline' 0 C--N 1.362 1.238 0 O-C-N 124.502 1.79 . . . . 64.400000000000006 111.0 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 17.9 tt0 -56.58 161.85 2.52 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.473 1.108 . . . . 74.430000000000007 110.319 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 1.039 ' CD1' ' HH ' ' A' ' 49' ' ' TYR . 15.4 tt -88.36 169.36 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.485 1.116 . . . . 73.530000000000001 109.256 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . 0.403 ' H ' ' CG1' ' A' ' 44' ' ' ILE . 19.0 m-20 -71.42 -48.65 48.35 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.523 1.139 . . . . 74.129999999999995 109.355 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.641 ' HA ' ' HG1' ' A' ' 4' ' ' THR . 0.0 OUTLIER -150.9 167.76 26.56 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 72.310000000000002 109.285 -179.958 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.543 ' O ' HG23 ' A' ' 32' ' ' ILE . 11.9 mtm180 -108.39 94.63 5.17 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.461 1.101 . . . . 73.310000000000002 110.303 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.584 ' HZ3' HD21 ' A' ' 50' ' ' LEU . 35.4 tptt -166.9 106.46 0.61 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.13 . . . . 65.409999999999997 109.285 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 1.039 ' HH ' ' CD1' ' A' ' 44' ' ' ILE . 23.0 m-85 -130.08 103.27 6.65 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.426 1.079 . . . . 72.340000000000003 110.973 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.747 HD23 ' HA ' ' A' ' 30' ' ' PRO . 0.6 OUTLIER -92.29 77.14 5.21 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.561 1.163 . . . . 74.329999999999998 109.279 -179.986 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.684 HG12 ' HB2' ' B' ' 630' ' ' ALA . 28.8 m -83.61 152.28 63.25 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.551 1.157 . . . . 63.399999999999999 109.328 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . 0.423 ' HD3' ' CB ' ' B' ' 630' ' ' ALA . 18.2 Cg_endo -74.97 -179.34 4.88 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.553 1.817 . . . . 72.439999999999998 110.984 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -91.46 19.11 6.44 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.522 1.139 . . . . 72.450000000000003 109.251 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -117.54 -38.68 3.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.571 1.169 . . . . 72.409999999999997 109.305 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.618 HD12 ' N ' ' A' ' 56' ' ' THR . 0.0 OUTLIER -56.14 131.93 49.01 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.437 1.085 . . . . 73.349999999999994 109.32 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.618 ' N ' HD12 ' A' ' 55' ' ' LEU . 1.0 OUTLIER -94.11 -174.88 3.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.45 1.094 . . . . 33.539999999999999 110.359 -179.921 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 3.1 t -72.79 -62.8 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 60.439999999999998 109.355 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -55.0 -23.49 31.69 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.413 1.07 . . . . 73.230000000000004 111.041 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . 0.503 ' CB ' ' CD1' ' A' ' 55' ' ' LEU . 9.6 mt-30 -89.12 -25.87 21.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 0.771 . . . . 74.530000000000001 110.27 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.597 ' CD1' HG11 ' A' ' 51' ' ' VAL . 40.7 t80 -70.83 -37.47 73.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 73.030000000000001 110.942 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.768 HG13 ' CG2' ' A' ' 76' ' ' ILE . 68.8 t -51.49 -46.01 35.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.124 . . . . 73.010000000000005 109.321 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.6 ' CD1' ' O ' ' A' ' 62' ' ' TYR . 0.1 OUTLIER -46.71 -27.13 1.08 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.134 . . . . 74.540000000000006 111.044 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.868 HG22 ' HA ' ' B' ' 630' ' ' ALA . 60.0 t -78.11 -38.12 23.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 65.319999999999993 109.274 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.865 HD13 ' HG ' ' A' ' 33' ' ' CYS . 3.9 mm -69.57 -38.91 77.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.45 1.094 . . . . 74.049999999999997 109.241 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.456 ' CD ' ' HB3' ' A' ' 70' ' ' LEU . 6.2 tpp85 -72.91 -3.47 25.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.567 1.167 . . . . 63.25 110.386 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 2.3 mttm -94.25 -42.16 9.08 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.115 . . . . 71.450000000000003 109.283 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . 0.451 ' HG3' HD12 ' A' ' 44' ' ' ILE . 4.9 mmp_? -60.94 -38.59 86.38 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.418 1.074 . . . . 74.150000000000006 110.272 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.45 HG21 ' O ' ' A' ' 42' ' ' PRO . 2.9 pt -104.23 4.06 10.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.387 1.054 . . . . 74.209999999999994 109.314 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 3.8 ptt? 37.32 31.4 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.439 1.087 . . . . 64.340000000000003 110.951 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.49 HD12 ' HA ' ' A' ' 70' ' ' LEU . 5.5 tp -49.27 140.3 12.89 Favored Pre-proline 0 C--N 1.323 -0.544 0 O-C-N 124.53 1.144 . . . . 62.43 109.209 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' ' 70' ' ' LEU . 18.2 Cg_endo -74.99 170.32 20.68 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.42 1.747 . . . . 75.310000000000002 110.952 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 -1.87 11.78 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.519 1.8 . . . . 73.310000000000002 110.968 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -89.27 3.31 52.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.589 1.181 . . . . 75.109999999999999 110.28 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 6.8 mttm -124.36 179.57 4.86 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.432 1.082 . . . . 74.239999999999995 109.306 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -137.9 163.67 30.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 54.009999999999998 109.288 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.785 HD12 ' CD2' ' A' ' 109' ' ' TYR . 2.2 tt -155.63 115.56 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.454 1.096 . . . . 71.129999999999995 109.308 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . 0.549 ' CE1' ' HB2' ' A' ' 113' ' ' ASN . 71.1 m-85 -112.51 134.79 53.85 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.494 1.121 . . . . 70.230000000000004 111.028 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.704 ' O ' HD21 ' A' ' 84' ' ' LEU . 5.1 mm -84.6 129.22 38.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 70.040000000000006 109.288 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . 0.432 ' CE1' ' HG ' ' A' ' 84' ' ' LEU . 3.4 m-85 -123.66 119.13 28.94 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.501 1.126 . . . . 63.119999999999997 111.061 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.762 ' O ' HG23 ' A' ' 83' ' ' THR . 1.8 t -115.48 101.78 12.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.49 1.119 . . . . 75.209999999999994 109.306 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . 0.492 ' O ' ' CB ' ' A' ' 82' ' ' ASP . 2.1 m-80 72.25 23.45 3.29 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.145 . . . . 74.420000000000002 109.299 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . 0.492 ' CB ' ' O ' ' A' ' 81' ' ' ASN . 0.3 OUTLIER 82.24 20.37 0.29 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.447 1.092 . . . . 75.129999999999995 109.275 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' THR . . . . . 0.762 HG23 ' O ' ' A' ' 80' ' ' VAL . 1.2 t -120.52 141.39 50.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 74.25 110.466 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.704 HD21 ' O ' ' A' ' 78' ' ' ILE . 3.6 mt -104.63 106.04 52.93 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.573 1.171 . . . . 64.219999999999999 109.314 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 165.94 30.31 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.479 1.779 . . . . 73.140000000000001 110.996 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . 0.69 ' HG2' ' HB2' ' A' ' 89' ' ' ALA . 18.1 Cg_endo -75.01 -170.8 0.83 Allowed 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.548 1.815 . . . . 70.439999999999998 110.963 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 4.4 p -93.33 -34.58 13.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.535 1.147 . . . . 62.409999999999997 110.378 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -83.27 6.77 18.51 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 71.439999999999998 109.283 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . 1.055 ' HB1' HD12 ' A' ' 94' ' ' ILE . . . -76.33 60.03 1.49 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.465 1.103 . . . . 73.430000000000007 109.29 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.594 ' C ' ' O ' ' A' ' 89' ' ' ALA . 0.4 OUTLIER -23.99 123.12 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.455 1.097 . . . . 71.209999999999994 109.335 179.957 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' MET . . . . . 0.493 ' HB3' ' HE1' ' A' ' 91' ' ' MET . 47.2 mmm -48.57 -21.64 0.61 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.597 1.186 . . . . 71.209999999999994 111.018 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' SER . . . . . 0.482 ' HA ' HD13 ' A' ' 29' ' ' ILE . 43.1 t -68.22 -49.33 61.44 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.39 1.057 . . . . 61.219999999999999 110.019 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -69.13 -22.26 63.97 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.482 1.114 . . . . 70.439999999999998 109.365 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 1.055 HD12 ' HB1' ' A' ' 89' ' ' ALA . 10.8 mm -79.7 -41.12 21.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 O-C-N 124.475 1.109 . . . . 61.530000000000001 109.333 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' TYR . . . . . 0.717 ' CB ' HG23 ' A' ' 29' ' ' ILE . 1.2 t80 -75.72 -4.81 42.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.456 1.098 . . . . 52.140000000000001 111.007 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . 0.437 ' O ' ' CG ' ' A' ' 96' ' ' GLN . 0.6 OUTLIER -104.15 -9.84 18.39 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.417 1.073 . . . . 73.329999999999998 110.24 -179.978 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -121.11 -4.77 9.52 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.595 1.184 . . . . 70.129999999999995 110.237 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . 0.694 ' CD2' HG11 ' A' ' 80' ' ' VAL . 11.2 m-70 -125.53 12.4 8.06 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.577 1.173 . . . . 62.030000000000001 109.667 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . 0.55 ' HA ' HD23 ' A' ' 105' ' ' LEU . 0.0 OUTLIER -65.6 167.28 9.24 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.454 1.096 . . . . 60.420000000000002 109.317 -179.95 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -138.22 177.98 7.47 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 64.510000000000005 109.269 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . 0.403 ' C ' ' N ' ' A' ' 103' ' ' GLY . 20.3 mmmt -51.39 -57.67 8.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.626 1.204 . . . . 74.239999999999995 109.312 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . 0.542 ' HB3' ' CE2' ' A' ' 11' ' ' PHE . 0.5 OUTLIER -44.77 -27.91 0.57 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 52.350000000000001 109.343 -179.993 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . 0.403 ' N ' ' C ' ' A' ' 101' ' ' LYS . . . 94.66 -9.4 71.18 Favored Glycine 0 CA--C 1.531 1.083 0 O-C-N 124.63 1.206 . . . . 42.140000000000001 110.975 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . 0.573 ' CD1' ' HD2' ' A' ' 14' ' ' ARG . 1.8 m-85 -90.78 165.66 13.53 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.481 0.753 . . . . 73.230000000000004 111.007 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.708 HD21 ' CD1' ' A' ' 95' ' ' TYR . 0.3 OUTLIER -100.2 160.91 13.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.584 1.178 . . . . 74.420000000000002 109.274 -179.983 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 62.1 m-85 -145.03 93.55 2.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.54 1.15 . . . . 64.400000000000006 110.944 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . 0.604 ' CG2' ' CG2' ' A' ' 78' ' ' ILE . 8.5 p -102.71 173.55 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.561 1.163 . . . . 71.319999999999993 109.293 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' THR . . . . . 0.899 HG21 ' HB3' ' A' ' 34' ' ' GLU . 0.2 OUTLIER -147.74 151.17 35.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 74.209999999999994 110.336 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' TYR . . . . . 0.785 ' CD2' HD12 ' A' ' 76' ' ' ILE . 41.1 p90 -136.22 131.79 35.01 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.409 1.068 . . . . 63.539999999999999 110.985 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 41.3 t -132.99 152.44 51.95 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.495 1.122 . . . . 73.5 109.956 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -79.09 4.03 63.64 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.475 1.109 . . . . 54.340000000000003 110.95 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -126.06 124.52 40.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.574 0.808 . . . . 65.25 110.298 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . 0.549 ' HB2' ' CE1' ' A' ' 77' ' ' PHE . 60.8 t-20 . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.111 . . . . 71.129999999999995 109.337 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 629' ' ' ILE . . . . . 0.638 ' C ' HG11 ' A' ' 63' ' ' VAL . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.299 -0.63 . . . . 61.409999999999997 109.299 . . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 630' ' ' ALA . . . . . 0.868 ' HA ' HG22 ' A' ' 63' ' ' VAL . . . . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 73.25 109.257 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.72 ' HG1' ' CB ' ' A' ' 46' ' ' LYS . 40.7 p . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 110.408 -0.219 . . . . 74.439999999999998 110.408 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . 0.604 ' CZ ' ' OH ' ' A' ' 9' ' ' TYR . 32.1 t80 -57.49 -18.49 19.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.635 1.21 . . . . 75.109999999999999 111.024 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.434 ' HG3' ' CZ ' ' A' ' 14' ' ' ARG . 0.0 OUTLIER -101.11 -50.62 3.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.563 1.164 . . . . 72.109999999999999 109.342 179.923 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 7.0 t -65.09 -10.91 34.28 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.594 1.184 . . . . 63.350000000000001 109.943 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . 0.424 ' HB3' ' CD1' ' A' ' 9' ' ' TYR . 3.5 tp10 -64.74 -62.39 1.6 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.644 1.215 . . . . 75.049999999999997 110.227 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . 0.604 ' OH ' ' CZ ' ' A' ' 5' ' ' PHE . 1.8 p90 -117.52 167.45 11.02 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.116 . . . . 62.130000000000003 111.121 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . 0.4 ' HD2' ' HB2' ' A' ' 9' ' ' TYR . 18.4 Cg_endo -75.0 -176.59 2.96 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.526 1.803 . . . . 44.439999999999998 111.014 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.464 ' O ' ' N ' ' A' ' 14' ' ' ARG . 15.7 t80 -62.76 -58.21 8.25 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.54 1.15 . . . . 73.120000000000005 110.967 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 -40.4 -30.47 0.11 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.476 1.11 . . . . 72.25 110.224 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.51 ' CB ' ' HB2' ' A' ' 9' ' ' TYR . 0.2 OUTLIER -73.04 -50.43 23.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 72.310000000000002 109.348 -179.982 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.65 ' NH2' ' CE1' ' A' ' 106' ' ' TYR . 3.2 mmm180 -56.51 -60.44 3.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.104 . . . . 72.400000000000006 110.277 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 26.7 pttt -42.82 -42.32 3.57 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.523 1.139 . . . . 63.020000000000003 109.276 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.439 ' HB3' ' O ' ' A' ' 13' ' ' LYS . . . -60.59 -46.63 89.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 52.130000000000003 109.259 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.43 ' N ' ' O ' ' A' ' 14' ' ' ARG . 27.7 tp10 -62.05 -37.48 85.13 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.613 1.195 . . . . 64.25 110.275 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.3 p -75.92 -27.95 57.82 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.481 1.113 . . . . 73.400000000000006 109.99 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -60.98 -26.82 67.84 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.44 1.087 . . . . 72.310000000000002 110.249 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.455 ' O ' ' N ' ' A' ' 24' ' ' ARG . 1.1 mtm180 -98.04 -44.42 6.65 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.538 1.149 . . . . 74.030000000000001 110.309 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.432 HD13 ' CZ ' ' A' ' 104' ' ' PHE . 7.3 mt -54.76 -26.7 17.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.519 1.137 . . . . 70.129999999999995 109.319 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -83.6 -23.73 31.79 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.566 1.167 . . . . 53.32 109.348 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -97.23 -6.29 34.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.147 . . . . 74.040000000000006 109.323 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.455 ' N ' ' O ' ' A' ' 20' ' ' ARG . 38.3 mtm180 -107.83 -51.56 2.89 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.598 1.186 . . . . 72.200000000000003 110.271 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.501 ' CD2' HD22 ' A' ' 50' ' ' LEU . 1.1 m-85 -120.71 80.77 32.39 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.552 1.157 . . . . 64.319999999999993 110.989 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 -25.85 11.45 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.508 1.794 . . . . 74.200000000000003 110.945 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 21.9 m-20 -93.23 27.99 2.34 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.536 1.147 . . . . 72.439999999999998 109.366 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.458 ' CG ' ' HB3' ' A' ' 25' ' ' PHE . 1.0 OUTLIER -123.9 -179.97 4.6 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.481 1.113 . . . . 75.129999999999995 110.295 179.97 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.488 HG23 ' CB ' ' A' ' 95' ' ' TYR . 24.8 mm -142.09 99.47 6.02 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.471 1.107 . . . . 73.209999999999994 109.255 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.572 ' HD2' ' CE2' ' A' ' 95' ' ' TYR . 18.3 Cg_endo -74.97 123.91 8.25 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.541 1.811 . . . . 64.019999999999996 111.029 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.521 ' O ' HD11 ' A' ' 32' ' ' ILE . 1.0 OUTLIER -138.85 173.24 12.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.594 1.184 . . . . 75.340000000000003 109.286 179.974 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.719 HG22 ' HB3' ' A' ' 47' ' ' ARG . 4.6 mm -138.46 109.92 5.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.595 1.185 . . . . 65.239999999999995 109.336 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.751 ' HG ' HD13 ' A' ' 64' ' ' ILE . 0.5 OUTLIER -83.7 148.55 27.02 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.139 . . . . 43.200000000000003 108.322 -179.955 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.899 ' HB3' HG21 ' A' ' 108' ' ' THR . 5.1 tm-20 -146.3 171.47 14.93 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.506 1.129 . . . . 74.129999999999995 110.287 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.692 ' HZ3' ' HA ' ' A' ' 43' ' ' GLU . 0.0 OUTLIER -116.75 125.84 52.25 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.52 1.137 . . . . 74.109999999999999 109.39 -179.976 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.531 ' HB3' ' HB2' ' A' ' 110' ' ' SER . . . -57.77 177.77 0.1 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.537 1.148 . . . . 61.539999999999999 109.242 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.445 ' CG ' ' N ' ' A' ' 38' ' ' LYS . 11.6 pt-20 -96.11 -51.23 4.51 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.484 1.115 . . . . 72.099999999999994 110.257 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.686 ' HB3' ' HZ3' ' A' ' 38' ' ' LYS . 0.3 OUTLIER -54.09 -45.04 71.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.445 1.091 . . . . 70.129999999999995 109.375 179.971 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.432 ' HG ' ' HD3' ' A' ' 35' ' ' LYS . 3.9 t -41.24 157.05 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 61.219999999999999 109.988 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -117.22 -4.93 11.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.128 . . . . 65.120000000000005 109.304 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.452 ' CG2' ' HA3' ' A' ' 111' ' ' GLY . 0.2 OUTLIER -62.97 163.16 17.48 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.596 1.185 . . . . 75.430000000000007 109.279 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 129.12 12.04 Favored 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.562 1.822 . . . . 64.400000000000006 110.94 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.692 ' HA ' ' HZ3' ' A' ' 35' ' ' LYS . 6.0 tt0 -53.85 163.0 0.79 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.508 1.13 . . . . 74.430000000000007 110.283 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 1.062 ' CD1' ' HH ' ' A' ' 49' ' ' TYR . 12.3 tt -93.22 167.31 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 73.530000000000001 109.27 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . 0.625 ' HD2' ' HE3' ' A' ' 46' ' ' LYS . 6.7 p-10 -60.75 -55.82 28.62 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.553 1.158 . . . . 74.129999999999995 109.217 -179.883 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.72 ' CB ' ' HG1' ' A' ' 4' ' ' THR . 0.1 OUTLIER -155.44 179.61 9.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 72.310000000000002 109.275 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.719 ' HB3' HG22 ' A' ' 32' ' ' ILE . 6.2 mtp180 -108.13 94.65 5.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.455 1.097 . . . . 73.310000000000002 110.339 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.802 ' HB3' ' HZ3' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -166.11 110.04 0.8 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.563 1.164 . . . . 65.409999999999997 109.261 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 1.062 ' HH ' ' CD1' ' A' ' 44' ' ' ILE . 27.3 m-85 -140.35 118.24 11.79 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.427 1.079 . . . . 72.340000000000003 111.05 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.501 HD22 ' CD2' ' A' ' 25' ' ' PHE . 1.0 OUTLIER -104.41 77.14 1.36 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.424 1.078 . . . . 74.329999999999998 109.34 179.972 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.55 HG12 ' HA ' ' B' ' 630' ' ' ALA . 27.8 m -77.7 148.76 76.81 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.147 . . . . 63.399999999999999 109.356 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -178.32 4.07 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.397 1.735 . . . . 72.439999999999998 111.06 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -93.36 18.2 10.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 72.450000000000003 109.194 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -118.96 -38.48 3.06 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.567 1.167 . . . . 72.409999999999997 109.302 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.979 HD21 ' HB1' ' B' ' 630' ' ' ALA . 0.0 OUTLIER -58.16 131.96 52.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 73.349999999999994 109.338 179.958 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.567 ' N ' HD12 ' A' ' 55' ' ' LEU . 1.2 p -92.95 -170.35 2.41 Favored 'General case' 0 C--N 1.323 -0.576 0 O-C-N 124.545 1.153 . . . . 33.539999999999999 110.45 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 2.7 t -76.84 -62.49 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.134 . . . . 60.439999999999998 109.268 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -57.19 -24.12 49.99 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.471 1.107 . . . . 73.230000000000004 110.925 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . 0.533 ' CB ' ' CD1' ' A' ' 55' ' ' LEU . 29.1 mt-30 -83.58 -27.39 29.27 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.546 0.792 . . . . 74.530000000000001 110.266 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.894 ' CE1' HD12 ' A' ' 64' ' ' ILE . 1.4 t80 -69.81 -46.32 65.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.454 1.096 . . . . 73.030000000000001 110.997 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.819 HG13 ' CG2' ' A' ' 76' ' ' ILE . 52.1 t -39.96 -48.41 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.529 1.143 . . . . 73.010000000000005 109.377 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.596 ' C ' ' CD1' ' A' ' 62' ' ' TYR . 0.0 OUTLIER -44.13 -45.41 8.2 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.449 1.093 . . . . 74.540000000000006 110.967 179.948 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.885 HG22 ' C ' ' B' ' 630' ' ' ALA . 86.4 t -63.65 -37.82 80.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.41 1.069 . . . . 65.319999999999993 109.266 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.894 HD12 ' CE1' ' A' ' 60' ' ' PHE . 19.0 mm -70.59 -30.42 42.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 74.049999999999997 109.359 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.435 HH21 ' CG1' ' A' ' 61' ' ' VAL . 4.1 tpp85 -79.33 -3.17 44.92 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 63.25 110.257 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 7.9 mtmt -96.16 -41.73 8.56 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 71.450000000000003 109.313 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . 0.401 ' HG3' ' OH ' ' A' ' 49' ' ' TYR . 0.7 OUTLIER -59.61 -39.61 84.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.591 1.182 . . . . 74.150000000000006 110.252 -179.991 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 2.2 pt -104.81 5.22 10.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 74.209999999999994 109.296 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 2.6 ptt? 37.55 38.36 0.14 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.547 1.154 . . . . 64.340000000000003 110.969 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.487 HD12 ' HA ' ' A' ' 70' ' ' LEU . 6.2 tp -50.63 139.98 19.95 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.472 1.107 . . . . 62.43 109.294 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 165.99 30.13 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.548 1.815 . . . . 75.310000000000002 110.922 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 0.78 8.51 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.491 1.785 . . . . 73.310000000000002 110.944 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -98.1 -1.78 41.57 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.581 1.176 . . . . 75.109999999999999 110.264 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -112.23 178.91 4.15 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 74.239999999999995 109.26 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -138.03 152.51 48.92 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.612 1.195 . . . . 54.009999999999998 109.276 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.898 HD12 ' CD1' ' A' ' 109' ' ' TYR . 1.2 tt -145.78 117.18 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.437 1.086 . . . . 71.129999999999995 109.407 179.899 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 80.2 m-85 -114.21 137.68 51.46 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.55 1.156 . . . . 70.230000000000004 111.03 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.591 ' CG2' ' CG2' ' A' ' 107' ' ' VAL . 3.9 mm -85.92 158.19 3.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 O-C-N 124.482 1.113 . . . . 70.040000000000006 109.286 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . 0.441 ' CZ ' ' CD1' ' A' ' 84' ' ' LEU . 8.6 m-85 -150.58 133.51 15.99 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.453 1.095 . . . . 63.119999999999997 111.0 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.735 ' O ' HG23 ' A' ' 83' ' ' THR . 2.4 t -136.31 108.64 7.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.459 1.099 . . . . 75.209999999999994 109.298 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . 0.443 ' O ' ' CB ' ' A' ' 82' ' ' ASP . 3.5 m-80 72.35 22.31 3.52 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.499 1.124 . . . . 74.420000000000002 109.248 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . 0.443 ' CB ' ' O ' ' A' ' 81' ' ' ASN . 2.1 m-20 79.05 20.88 0.7 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 75.129999999999995 109.266 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' THR . . . . . 0.735 HG23 ' O ' ' A' ' 80' ' ' VAL . 1.1 t -126.43 142.03 51.68 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.5 1.125 . . . . 74.25 110.447 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.441 ' CD1' ' CZ ' ' A' ' 79' ' ' PHE . 0.2 OUTLIER -98.6 109.64 53.81 Favored Pre-proline 0 C--N 1.324 -0.541 0 O-C-N 124.541 1.151 . . . . 64.219999999999999 109.286 -179.94 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.06 167.04 27.86 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.445 1.761 . . . . 73.140000000000001 110.987 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . 0.886 ' HG2' ' HB2' ' A' ' 89' ' ' ALA . 18.6 Cg_endo -74.94 -171.7 1.05 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.481 1.78 . . . . 70.439999999999998 111.039 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 4.2 p -94.27 -35.39 12.46 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.551 1.157 . . . . 62.409999999999997 110.419 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -84.61 8.22 17.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.421 1.076 . . . . 71.439999999999998 109.324 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . 1.056 ' HB1' HD12 ' A' ' 94' ' ' ILE . . . -76.13 60.92 1.51 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.545 1.153 . . . . 73.430000000000007 109.329 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.608 ' C ' ' O ' ' A' ' 89' ' ' ALA . 0.4 OUTLIER -23.51 121.79 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.106 . . . . 71.209999999999994 109.228 -179.917 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' MET . . . . . 0.471 ' HB3' ' HE1' ' A' ' 91' ' ' MET . 47.3 mmm -50.81 -20.49 1.3 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.418 1.074 . . . . 71.209999999999994 110.987 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 2.1 t -70.09 -47.17 62.97 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 61.219999999999999 110.008 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -74.88 -13.68 60.58 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 70.439999999999998 109.289 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 1.056 HD12 ' HB1' ' A' ' 89' ' ' ALA . 22.0 mm -82.55 -44.74 19.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.554 1.159 . . . . 61.530000000000001 109.208 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' TYR . . . . . 0.817 ' CD2' HD21 ' A' ' 105' ' ' LEU . 4.5 t80 -72.98 -5.64 40.06 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.457 1.098 . . . . 52.140000000000001 110.931 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . 0.438 ' O ' ' CG ' ' A' ' 96' ' ' GLN . 3.0 tp-100 -100.21 -10.37 21.46 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.481 1.113 . . . . 73.329999999999998 110.27 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -118.55 -10.92 9.99 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.454 1.097 . . . . 70.129999999999995 110.331 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . 0.558 ' HB2' HD11 ' A' ' 105' ' ' LEU . 31.5 m-70 -123.1 16.34 9.94 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.485 1.116 . . . . 62.030000000000001 109.601 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . 0.47 ' HB3' ' O ' ' A' ' 95' ' ' TYR . 0.0 OUTLIER -59.99 157.74 12.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.12 . . . . 60.420000000000002 109.346 179.974 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -128.87 170.88 12.85 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.55 1.156 . . . . 64.510000000000005 109.339 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . 0.415 ' HB2' ' CE2' ' A' ' 11' ' ' PHE . 30.0 mtmm -57.31 -29.42 63.91 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.118 . . . . 74.239999999999995 109.311 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -82.71 -20.47 36.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 52.350000000000001 109.242 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . 0.404 ' O ' ' CE2' ' A' ' 95' ' ' TYR . . . 91.63 -39.32 3.06 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.568 1.167 . . . . 42.140000000000001 111.023 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . 0.598 ' CD1' HD12 ' A' ' 32' ' ' ILE . 10.5 m-85 -61.64 120.14 10.03 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.472 0.748 . . . . 73.230000000000004 110.992 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.817 HD21 ' CD2' ' A' ' 95' ' ' TYR . 0.3 OUTLIER -63.32 159.66 17.56 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.532 1.145 . . . . 74.420000000000002 109.339 -179.963 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . 0.65 ' CE1' ' NH2' ' A' ' 14' ' ' ARG . 50.4 m-85 -133.17 101.66 5.28 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.506 1.129 . . . . 64.400000000000006 111.049 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . 0.591 ' CG2' ' CG2' ' A' ' 78' ' ' ILE . 14.7 p -115.07 168.53 6.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.461 1.1 . . . . 71.319999999999993 109.364 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' THR . . . . . 0.899 HG21 ' HB3' ' A' ' 34' ' ' GLU . 0.7 OUTLIER -149.8 145.79 26.8 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.511 1.132 . . . . 74.209999999999994 110.409 179.922 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' TYR . . . . . 0.898 ' CD1' HD12 ' A' ' 76' ' ' ILE . 30.2 p90 -129.3 126.05 38.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.567 1.167 . . . . 63.539999999999999 111.006 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' SER . . . . . 0.531 ' HB2' ' HB3' ' A' ' 36' ' ' ALA . 1.4 t -119.33 158.83 25.32 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.484 1.115 . . . . 73.5 109.989 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' GLY . . . . . 0.452 ' HA3' ' CG2' ' A' ' 41' ' ' ILE . . . -68.1 -24.19 74.61 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.515 1.134 . . . . 54.340000000000003 110.94 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . 0.557 ' HE2' ' HZ3' ' A' ' 38' ' ' LYS . 2.8 pt-20 -115.07 178.8 4.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 0.783 . . . . 65.25 110.275 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 49.0 t-20 . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.103 . . . . 71.129999999999995 109.297 179.995 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 629' ' ' ILE . . . . . 0.459 ' C ' HG11 ' A' ' 63' ' ' VAL . 1.2 pp . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.269 -0.641 . . . . 61.409999999999997 109.269 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 630' ' ' ALA . . . . . 0.979 ' HB1' HD21 ' A' ' 55' ' ' LEU . . . . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 73.25 109.294 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.743 ' HG1' ' HA ' ' A' ' 46' ' ' LYS . 31.4 p . . . . . 0 N--CA 1.454 -0.26 0 N-CA-C 110.384 -0.228 . . . . 74.439999999999998 110.384 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . 0.654 ' CE2' ' CB ' ' A' ' 48' ' ' LYS . 12.4 m-85 -50.94 -45.81 60.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 75.109999999999999 111.034 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.403 ' HB2' ' NE ' ' A' ' 47' ' ' ARG . 8.6 tttt -69.17 -31.57 70.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.109 . . . . 72.109999999999999 109.248 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 40.4 t -81.82 -4.96 57.73 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.534 1.146 . . . . 63.350000000000001 110.031 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -86.9 -52.59 5.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 75.049999999999997 110.329 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . 0.723 ' HH ' ' NH1' ' A' ' 14' ' ' ARG . 4.5 p90 -126.2 165.12 29.57 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 62.130000000000003 111.015 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 -176.92 3.12 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.531 1.806 . . . . 44.439999999999998 111.027 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.554 ' CE1' ' HB3' ' A' ' 102' ' ' ASP . 35.9 t80 -63.76 -57.17 10.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.409 1.068 . . . . 73.120000000000005 111.051 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 17.0 mt-10 -42.51 -28.13 0.2 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.534 1.146 . . . . 72.25 110.297 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.486 ' CB ' ' HB2' ' A' ' 9' ' ' TYR . 8.9 mmtt -73.2 -49.09 29.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.616 1.197 . . . . 72.310000000000002 109.244 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.723 ' NH1' ' HH ' ' A' ' 9' ' ' TYR . 16.7 tpp180 -57.11 -42.19 80.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.437 1.085 . . . . 72.400000000000006 110.345 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.33 -43.47 66.94 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 63.020000000000003 109.32 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.41 -31.78 70.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 52.130000000000003 109.327 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.476 ' HG3' HD13 ' A' ' 21' ' ' ILE . 18.0 tp10 -70.41 -44.3 68.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.431 1.082 . . . . 64.25 110.327 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.451 ' HB3' ' CD2' ' A' ' 104' ' ' PHE . 89.5 p -70.47 -19.5 62.94 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 73.400000000000006 110.094 179.91 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -66.3 -23.41 66.37 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.56 1.163 . . . . 72.310000000000002 110.312 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 28.8 mtm180 -101.76 -39.11 7.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.588 1.18 . . . . 74.030000000000001 110.267 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.476 HD13 ' HG3' ' A' ' 17' ' ' GLU . 7.2 mt -60.25 -20.56 20.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.64 1.213 . . . . 70.129999999999995 109.341 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -80.47 -21.65 41.84 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 53.32 109.284 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -103.49 -12.9 16.84 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 74.040000000000006 109.372 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 27.5 mmm-85 -97.08 -48.96 5.18 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.104 . . . . 72.200000000000003 110.268 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.458 ' HB3' ' CG ' ' A' ' 28' ' ' ARG . 1.3 m-85 -132.84 89.5 34.62 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.429 1.081 . . . . 64.319999999999993 110.951 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.98 -34.21 4.02 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.488 1.783 . . . . 74.200000000000003 111.009 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 12.2 p30 -90.9 40.2 1.01 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.469 1.106 . . . . 72.439999999999998 109.305 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.588 ' HB3' HD11 ' A' ' 50' ' ' LEU . 1.6 mmt-85 -126.14 171.37 10.92 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.464 1.103 . . . . 75.129999999999995 110.271 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.484 ' CD1' ' HA ' ' A' ' 92' ' ' SER . 17.4 mm -135.99 98.03 11.99 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 73.209999999999994 109.285 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 1.049 ' HA ' HD23 ' A' ' 50' ' ' LEU . 18.2 Cg_endo -75.0 117.21 4.83 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.488 1.783 . . . . 64.019999999999996 110.986 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.761 HG23 ' O ' ' A' ' 49' ' ' TYR . 5.7 m -135.61 156.54 38.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 75.340000000000003 109.296 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.732 HG23 ' O ' ' A' ' 47' ' ' ARG . 18.4 mm -124.73 104.91 14.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.558 1.161 . . . . 65.239999999999995 109.292 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.503 ' HB3' ' CE1' ' A' ' 49' ' ' TYR . 2.1 t -84.82 144.32 28.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.419 1.074 . . . . 43.200000000000003 108.311 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.496 ' O ' ' CG2' ' A' ' 108' ' ' THR . 32.2 tt0 -148.6 156.75 42.83 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.452 1.095 . . . . 74.129999999999995 110.342 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.632 ' HD3' ' HG ' ' A' ' 39' ' ' SER . 0.0 OUTLIER -92.66 127.39 38.14 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.456 1.098 . . . . 74.109999999999999 109.331 -179.978 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -59.06 177.99 0.14 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.115 . . . . 61.539999999999999 109.343 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.443 ' CG ' ' N ' ' A' ' 38' ' ' LYS . 12.1 pt-20 -96.5 -50.8 4.59 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.486 1.116 . . . . 72.099999999999994 110.348 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.443 ' N ' ' CG ' ' A' ' 37' ' ' GLU . 30.8 mttm -55.05 -43.88 74.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.576 1.172 . . . . 70.129999999999995 109.371 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.632 ' HG ' ' HD3' ' A' ' 35' ' ' LYS . 1.4 t -39.84 158.0 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.457 1.098 . . . . 61.219999999999999 110.025 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -114.76 -1.48 13.23 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.462 1.102 . . . . 65.120000000000005 109.366 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.597 HD12 ' CE2' ' A' ' 109' ' ' TYR . 0.1 OUTLIER -74.55 165.71 51.34 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.408 1.067 . . . . 75.430000000000007 109.288 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.1 130.25 13.0 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.424 1.75 . . . . 64.400000000000006 110.985 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.411 ' HG2' ' N ' ' A' ' 44' ' ' ILE . 5.5 tt0 -67.73 144.35 55.47 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.554 1.159 . . . . 74.430000000000007 110.29 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 1.045 ' CD1' ' HH ' ' A' ' 49' ' ' TYR . 13.9 tt -65.82 171.55 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.492 1.12 . . . . 73.530000000000001 109.22 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . 0.452 ' O ' HG22 ' A' ' 4' ' ' THR . 3.6 t0 -75.67 -40.15 56.42 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.464 1.102 . . . . 74.129999999999995 109.326 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.743 ' HA ' ' HG1' ' A' ' 4' ' ' THR . 0.0 OUTLIER -153.75 160.75 42.39 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 72.310000000000002 109.259 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.732 ' O ' HG23 ' A' ' 32' ' ' ILE . 0.8 OUTLIER -101.14 96.96 7.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 73.310000000000002 110.334 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.654 ' CB ' ' CE2' ' A' ' 5' ' ' PHE . 3.8 tptt -165.39 127.34 2.05 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.548 1.155 . . . . 65.409999999999997 109.309 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 1.045 ' HH ' ' CD1' ' A' ' 44' ' ' ILE . 31.2 m-85 -155.99 105.8 2.38 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.517 1.135 . . . . 72.340000000000003 110.966 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 1.049 HD23 ' HA ' ' A' ' 30' ' ' PRO . 0.4 OUTLIER -94.58 77.05 3.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 74.329999999999998 109.333 179.958 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.764 HG11 ' CD1' ' A' ' 60' ' ' PHE . 9.9 m -75.97 147.04 80.02 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.506 1.128 . . . . 63.399999999999999 109.301 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . 0.415 ' HA ' ' HD2' ' A' ' 28' ' ' ARG . 18.2 Cg_endo -74.94 -177.07 3.2 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.49 1.784 . . . . 72.439999999999998 111.012 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -92.64 18.39 8.79 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.546 1.154 . . . . 72.450000000000003 109.291 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -120.77 -39.11 2.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.41 1.069 . . . . 72.409999999999997 109.339 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.852 HD21 ' HB1' ' B' ' 630' ' ' ALA . 0.0 OUTLIER -58.67 131.68 51.58 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.453 1.096 . . . . 73.349999999999994 109.393 179.959 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.563 ' N ' HD12 ' A' ' 55' ' ' LEU . 0.1 OUTLIER -96.05 -168.69 1.79 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.525 1.141 . . . . 33.539999999999999 110.456 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 3.1 t -77.76 -62.39 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.492 1.12 . . . . 60.439999999999998 109.294 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -53.81 -18.87 9.01 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.468 1.105 . . . . 73.230000000000004 110.953 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . 0.54 ' CB ' ' CD1' ' A' ' 55' ' ' LEU . 68.1 mt-30 -95.6 -27.24 15.43 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.511 0.771 . . . . 74.530000000000001 110.351 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.764 ' CD1' HG11 ' A' ' 51' ' ' VAL . 70.2 t80 -69.64 -36.56 76.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 73.030000000000001 111.031 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.777 HG13 ' CG2' ' A' ' 76' ' ' ILE . 59.1 t -54.09 -47.48 66.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.55 1.156 . . . . 73.010000000000005 109.31 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.557 ' CD1' ' O ' ' A' ' 62' ' ' TYR . 0.1 OUTLIER -43.22 -28.99 0.35 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.62 1.2 . . . . 74.540000000000006 110.974 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.931 HG22 ' C ' ' B' ' 630' ' ' ALA . 79.1 t -80.71 -44.61 21.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.431 1.082 . . . . 65.319999999999993 109.238 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.693 ' CD1' ' CE2' ' A' ' 49' ' ' TYR . 9.3 mm -62.0 -30.88 49.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 74.049999999999997 109.294 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 6.7 tpp85 -82.43 -6.09 59.07 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.395 1.059 . . . . 63.25 110.345 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 8.2 mtmt -86.53 -44.65 11.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.143 . . . . 71.450000000000003 109.302 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . 0.519 ' HG3' HD12 ' A' ' 44' ' ' ILE . 4.4 mmp_? -57.68 -64.66 0.82 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.103 . . . . 74.150000000000006 110.3 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.618 HD12 HD13 ' A' ' 76' ' ' ILE . 5.9 pt -72.75 -5.56 6.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.538 1.149 . . . . 74.209999999999994 109.345 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' MET . . . . . 0.501 ' CG ' ' O ' ' A' ' 68' ' ' ILE . 3.8 ptp 42.59 44.34 3.59 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.126 . . . . 64.340000000000003 111.04 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.489 HD23 HD13 ' A' ' 68' ' ' ILE . 5.1 tp -65.79 140.57 97.35 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.492 1.12 . . . . 62.43 109.252 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 171.55 18.1 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.425 1.75 . . . . 75.310000000000002 110.979 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_endo -74.9 -1.49 11.27 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.555 1.818 . . . . 73.310000000000002 111.064 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -86.81 1.95 50.59 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.143 . . . . 75.109999999999999 110.335 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 20.5 mttp -125.51 -179.23 4.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 74.239999999999995 109.311 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -139.61 151.21 45.82 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.516 1.135 . . . . 54.009999999999998 109.308 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.777 ' CG2' HG13 ' A' ' 61' ' ' VAL . 2.1 tt -141.28 119.93 10.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 71.129999999999995 109.25 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . 0.604 ' HB3' HD11 ' A' ' 84' ' ' LEU . 80.9 m-85 -115.62 135.22 54.28 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 70.230000000000004 111.004 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.552 ' CG2' ' CG2' ' A' ' 107' ' ' VAL . 3.0 mm -84.5 137.46 20.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.472 1.108 . . . . 70.040000000000006 109.324 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -128.43 121.28 28.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 63.119999999999997 110.964 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.596 ' O ' HG23 ' A' ' 83' ' ' THR . 2.8 t -122.86 109.24 23.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.582 1.176 . . . . 75.209999999999994 109.302 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . 0.553 ' ND2' ' CE1' ' A' ' 98' ' ' HIS . 2.1 m-80 71.31 19.82 5.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 74.420000000000002 109.226 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . 0.503 ' CB ' ' O ' ' A' ' 81' ' ' ASN . 0.9 OUTLIER 81.93 24.53 0.22 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 75.129999999999995 109.248 179.979 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' THR . . . . . 0.596 HG23 ' O ' ' A' ' 80' ' ' VAL . 0.7 OUTLIER -133.43 135.36 44.54 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.472 1.108 . . . . 74.25 110.393 -179.97 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.604 HD11 ' HB3' ' A' ' 77' ' ' PHE . 0.2 OUTLIER -91.62 112.27 53.54 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.135 . . . . 64.219999999999999 109.257 179.963 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.09 167.13 27.64 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.45 1.763 . . . . 73.140000000000001 110.93 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . 0.879 ' HG2' ' HB2' ' A' ' 89' ' ' ALA . 18.7 Cg_endo -74.84 -168.54 0.52 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.406 1.74 . . . . 70.439999999999998 111.085 179.895 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 3.7 p -97.02 -35.19 10.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.451 1.094 . . . . 62.409999999999997 110.447 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -85.11 8.71 17.09 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.549 1.156 . . . . 71.439999999999998 109.281 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . 1.082 ' HB1' HD12 ' A' ' 94' ' ' ILE . . . -76.84 61.23 1.87 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.408 1.068 . . . . 73.430000000000007 109.272 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.591 ' C ' ' O ' ' A' ' 89' ' ' ALA . 0.3 OUTLIER -24.66 122.41 0.05 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 71.209999999999994 109.331 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' MET . . . . . 0.477 ' HB3' ' HE1' ' A' ' 91' ' ' MET . 44.3 mmm -52.93 -19.32 2.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.441 1.088 . . . . 71.209999999999994 110.968 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' SER . . . . . 0.484 ' HA ' ' CD1' ' A' ' 29' ' ' ILE . 10.8 t -69.73 -46.69 65.36 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.483 1.115 . . . . 61.219999999999999 110.024 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -73.25 -31.9 64.39 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.554 1.159 . . . . 70.439999999999998 109.267 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 1.082 HD12 ' HB1' ' A' ' 89' ' ' ALA . 16.6 mm -61.81 -45.32 98.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 61.530000000000001 109.38 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' TYR . . . . . 0.632 ' O ' ' CD1' ' A' ' 95' ' ' TYR . 10.5 t80 -69.19 -6.15 27.11 Favored 'General case' 0 C--N 1.326 -0.413 0 O-C-N 124.429 1.08 . . . . 52.140000000000001 110.99 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . 0.466 ' O ' ' CG ' ' A' ' 96' ' ' GLN . 2.7 tp-100 -102.56 -8.97 20.57 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.13 . . . . 73.329999999999998 110.272 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -119.42 -7.82 10.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 70.129999999999995 110.285 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . 0.553 ' CE1' ' ND2' ' A' ' 81' ' ' ASN . 48.6 m-70 -133.04 17.99 4.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 62.030000000000001 109.607 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . 0.487 ' HB3' ' O ' ' A' ' 95' ' ' TYR . 0.0 OUTLIER -51.12 171.87 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.453 1.095 . . . . 60.420000000000002 109.249 -179.973 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -134.73 166.32 23.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.564 1.165 . . . . 64.510000000000005 109.385 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 28.2 mtmt -59.23 -45.6 90.71 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.463 1.102 . . . . 74.239999999999995 109.294 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . 0.554 ' HB3' ' CE1' ' A' ' 11' ' ' PHE . 0.5 OUTLIER -72.24 -6.57 43.87 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 52.350000000000001 109.293 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 88.02 -39.58 3.11 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.529 1.143 . . . . 42.140000000000001 110.984 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . 0.572 ' CD2' ' HG3' ' A' ' 14' ' ' ARG . 3.7 m-85 -62.76 134.44 56.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.44 0.73 . . . . 73.230000000000004 111.023 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.511 HD13 ' CD2' ' A' ' 95' ' ' TYR . 2.7 tp -79.69 165.4 22.88 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.446 1.091 . . . . 74.420000000000002 109.281 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . 0.478 ' HH ' ' CG ' ' A' ' 102' ' ' ASP . 88.4 m-85 -142.19 91.88 2.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 64.400000000000006 111.05 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . 0.552 ' CG2' ' CG2' ' A' ' 78' ' ' ILE . 1.4 p -102.43 164.73 3.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.64 1.212 . . . . 71.319999999999993 109.164 -179.907 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' THR . . . . . 0.496 ' CG2' ' O ' ' A' ' 34' ' ' GLU . 0.2 OUTLIER -144.53 160.48 41.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.446 1.091 . . . . 74.209999999999994 110.359 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' TYR . . . . . 0.741 ' CD2' HD12 ' A' ' 76' ' ' ILE . 41.5 p90 -138.85 135.98 35.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.54 1.15 . . . . 63.539999999999999 111.041 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 52.7 p -127.46 160.29 31.92 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.468 1.105 . . . . 73.5 110.05 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' GLY . . . . . 0.466 ' HA3' ' CG2' ' A' ' 41' ' ' ILE . . . -80.89 -3.14 90.58 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.463 1.102 . . . . 54.340000000000003 110.998 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 10.9 pm0 -125.95 159.65 32.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 0.77 . . . . 65.25 110.356 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . 0.579 HD22 HD23 ' A' ' 84' ' ' LEU . 25.0 t-20 . . . . . 0 C--N 1.326 -0.438 0 O-C-N 124.56 1.162 . . . . 71.129999999999995 109.271 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 629' ' ' ILE . . . . . . . . . . . . . 1.2 pp . . . . . 0 N--CA 1.453 -0.275 0 N-CA-C 109.317 -0.623 . . . . 61.409999999999997 109.317 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 630' ' ' ALA . . . . . 0.931 ' C ' HG22 ' A' ' 63' ' ' VAL . . . . . . . . 0 C--N 1.324 -0.511 0 O-C-N 124.543 1.152 . . . . 73.25 109.288 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.815 ' HG1' ' HA ' ' A' ' 46' ' ' LYS . 81.3 p . . . . . 0 N--CA 1.454 -0.255 0 N-CA-C 110.398 -0.223 . . . . 74.439999999999998 110.398 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . 0.609 ' CZ ' ' OH ' ' A' ' 9' ' ' TYR . 88.2 t80 -57.99 -30.32 65.96 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.546 1.153 . . . . 75.109999999999999 110.972 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 17.5 ttpp -91.64 -28.16 17.66 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.563 1.164 . . . . 72.109999999999999 109.278 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 19.9 t -80.5 2.97 23.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.613 1.195 . . . . 63.350000000000001 109.956 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . 0.526 ' HB3' ' CD1' ' A' ' 9' ' ' TYR . 12.8 tp10 -85.6 -32.88 21.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 75.049999999999997 110.319 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . 0.609 ' OH ' ' CZ ' ' A' ' 5' ' ' PHE . 2.0 p90 -148.2 166.37 15.88 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.487 1.117 . . . . 62.130000000000003 111.035 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.9 168.38 24.97 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.502 1.791 . . . . 44.439999999999998 111.042 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.559 ' CE2' ' HB3' ' A' ' 102' ' ' ASP . 1.4 t80 -61.97 -28.81 69.81 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.558 1.161 . . . . 73.120000000000005 110.998 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 13.5 mt-10 -66.96 -8.71 31.7 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.648 1.217 . . . . 72.25 110.283 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.8 tppp? -100.06 -48.73 4.54 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.522 1.138 . . . . 72.310000000000002 109.301 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.784 HH21 ' HB3' ' A' ' 104' ' ' PHE . 4.2 ptm85 -64.52 -42.98 95.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 72.400000000000006 110.278 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.487 ' N ' ' CG ' ' A' ' 14' ' ' ARG . 2.2 pttt -56.37 -40.03 73.9 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.531 1.145 . . . . 63.020000000000003 109.331 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -77.77 -19.65 54.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 52.130000000000003 109.284 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.829 ' HE2' ' HD2' ' A' ' 20' ' ' ARG . 13.7 tp10 -74.73 -58.23 3.42 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.114 . . . . 64.25 110.288 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -57.46 -17.11 11.63 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.494 1.121 . . . . 73.400000000000006 109.959 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -68.57 -45.13 72.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 72.310000000000002 110.315 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.829 ' HD2' ' HE2' ' A' ' 17' ' ' GLU . 0.5 OUTLIER -75.68 -24.61 56.32 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.526 1.141 . . . . 74.030000000000001 110.272 -179.938 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.431 ' N ' ' HG3' ' A' ' 20' ' ' ARG . 5.9 mt -66.76 -23.08 30.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.546 1.154 . . . . 70.129999999999995 109.288 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -68.51 -17.2 64.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.108 . . . . 53.32 109.287 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -102.15 -41.08 6.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.45 1.094 . . . . 74.040000000000006 109.295 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.598 ' O ' ' CD1' ' A' ' 25' ' ' PHE . 14.1 mmm-85 -66.4 -33.04 74.83 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.531 1.145 . . . . 72.200000000000003 110.309 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.598 ' CD1' ' O ' ' A' ' 24' ' ' ARG . 34.3 m-85 -159.75 86.56 2.06 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.459 1.099 . . . . 64.319999999999993 110.976 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -14.36 21.15 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.483 1.781 . . . . 74.200000000000003 110.933 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 20.6 m-20 -107.76 48.49 0.85 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 72.439999999999998 109.317 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.522 ' O ' HD11 ' A' ' 29' ' ' ILE . 8.5 mmt85 -134.31 -179.66 5.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 75.129999999999995 110.294 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.522 HD11 ' O ' ' A' ' 28' ' ' ARG . 37.3 mm -143.2 97.31 5.7 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.13 . . . . 73.209999999999994 109.368 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.577 ' HD2' ' CE2' ' A' ' 95' ' ' TYR . 18.2 Cg_endo -74.96 123.9 8.25 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.518 1.799 . . . . 64.019999999999996 111.024 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.478 HG13 HG23 ' A' ' 51' ' ' VAL . 0.9 OUTLIER -134.0 173.4 14.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.504 1.128 . . . . 75.340000000000003 109.323 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.45 ' CG2' ' HG3' ' A' ' 47' ' ' ARG . 7.4 mm -135.04 98.45 2.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.135 . . . . 65.239999999999995 109.29 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 1.037 ' HG ' HD13 ' A' ' 64' ' ' ILE . 14.3 t -68.22 116.03 8.36 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.552 1.158 . . . . 43.200000000000003 108.291 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.911 ' HB3' HG21 ' A' ' 108' ' ' THR . 16.5 tp10 -114.3 158.09 21.9 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.562 1.164 . . . . 74.129999999999995 110.324 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.581 ' HD3' ' HG ' ' A' ' 39' ' ' SER . 0.2 OUTLIER -118.69 116.69 27.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 74.109999999999999 109.378 179.941 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.403 ' O ' ' NZ ' ' A' ' 35' ' ' LYS . . . -55.88 172.71 0.17 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.528 1.142 . . . . 61.539999999999999 109.282 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.427 ' CG ' ' N ' ' A' ' 38' ' ' LYS . 11.6 pt-20 -96.16 -49.28 5.3 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.477 1.111 . . . . 72.099999999999994 110.328 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.427 ' N ' ' CG ' ' A' ' 37' ' ' GLU . 35.7 mttm -51.26 -31.33 20.61 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.465 1.103 . . . . 70.129999999999995 109.309 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.581 ' HG ' ' HD3' ' A' ' 35' ' ' LYS . 0.2 OUTLIER -56.58 153.13 10.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 61.219999999999999 109.989 179.963 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 9.3 t0 -115.77 13.95 16.24 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.456 1.097 . . . . 65.120000000000005 109.256 -179.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.611 HD12 ' CE2' ' A' ' 109' ' ' TYR . 0.1 OUTLIER -85.45 165.78 33.98 Favored Pre-proline 0 C--N 1.326 -0.434 0 O-C-N 124.547 1.155 . . . . 75.430000000000007 109.281 -179.95 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . 0.553 ' O ' HG21 ' A' ' 68' ' ' ILE . 18.4 Cg_endo -75.12 122.48 7.18 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.472 1.775 . . . . 64.400000000000006 110.985 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -62.55 142.75 57.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.44 1.087 . . . . 74.430000000000007 110.304 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.503 ' CD1' ' OH ' ' A' ' 49' ' ' TYR . 17.8 tt -68.67 170.16 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 73.530000000000001 109.289 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -70.85 -46.24 63.04 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.535 1.147 . . . . 74.129999999999995 109.404 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.815 ' HA ' ' HG1' ' A' ' 4' ' ' THR . 0.0 OUTLIER -151.18 160.02 44.09 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.507 1.129 . . . . 72.310000000000002 109.241 179.952 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.654 HH21 ' CG2' ' A' ' 4' ' ' THR . 0.0 OUTLIER -103.7 93.6 5.0 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 73.310000000000002 110.333 179.968 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.729 ' HZ3' ' C ' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -167.03 112.28 0.75 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.554 1.159 . . . . 65.409999999999997 109.215 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.547 ' CD1' ' HB2' ' A' ' 33' ' ' CYS . 27.7 m-85 -136.91 119.66 16.19 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.516 1.135 . . . . 72.340000000000003 110.997 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.426 ' HA ' HD13 ' A' ' 50' ' ' LEU . 0.0 OUTLIER -98.68 76.72 2.22 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.53 1.144 . . . . 74.329999999999998 109.299 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.57 HG11 ' CD1' ' A' ' 60' ' ' PHE . 13.1 m -80.42 147.59 64.39 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.12 . . . . 63.399999999999999 109.239 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.13 -178.56 4.28 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.53 1.805 . . . . 72.439999999999998 110.962 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -93.16 18.42 9.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.115 . . . . 72.450000000000003 109.272 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 32.4 m-20 -119.47 -38.38 3.02 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.451 1.094 . . . . 72.409999999999997 109.291 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.8 HD13 ' HB1' ' B' ' 630' ' ' ALA . 0.5 OUTLIER -56.32 131.19 47.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.106 . . . . 73.349999999999994 109.318 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 1.044 HG23 ' CD2' ' A' ' 90' ' ' LEU . 5.6 p -92.37 175.22 6.92 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.486 1.116 . . . . 33.539999999999999 110.45 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.484 ' CG1' ' O ' ' A' ' 86' ' ' PRO . 3.2 t -66.09 -35.75 75.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.55 1.156 . . . . 60.439999999999998 109.357 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -77.74 -6.41 86.98 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.564 1.165 . . . . 73.230000000000004 110.979 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . 0.604 ' OE1' HG21 ' A' ' 56' ' ' THR . 53.7 mt-30 -99.63 -22.19 15.53 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.541 0.789 . . . . 74.530000000000001 110.342 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.733 ' CZ ' HD12 ' A' ' 64' ' ' ILE . 40.0 t80 -78.24 -54.39 6.28 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 73.030000000000001 111.044 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.724 HG23 ' CG1' ' A' ' 78' ' ' ILE . 63.9 t -40.25 -34.63 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.508 1.13 . . . . 73.010000000000005 109.277 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.582 ' CD1' ' HD3' ' A' ' 66' ' ' LYS . 0.5 OUTLIER -58.07 -57.29 13.47 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.449 1.093 . . . . 74.540000000000006 111.062 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.94 HG22 ' C ' ' B' ' 630' ' ' ALA . 74.3 t -56.64 -40.86 72.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 65.319999999999993 109.33 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 1.037 HD13 ' HG ' ' A' ' 33' ' ' CYS . 29.5 mm -57.93 -50.94 76.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.558 1.162 . . . . 74.049999999999997 109.313 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.455 ' CD ' ' HB3' ' A' ' 70' ' ' LEU . 8.4 tpp85 -59.25 -31.32 68.97 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.491 1.12 . . . . 63.25 110.229 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.582 ' HD3' ' CD1' ' A' ' 62' ' ' TYR . 0.1 OUTLIER -64.5 -53.71 43.75 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.529 1.143 . . . . 71.450000000000003 109.312 -179.962 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . 0.413 ' HG3' ' OH ' ' A' ' 49' ' ' TYR . 0.7 OUTLIER -48.26 -66.16 0.45 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.572 1.17 . . . . 74.150000000000006 110.313 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.735 HD12 HD13 ' A' ' 76' ' ' ILE . 5.4 pt -71.23 -5.98 6.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.516 1.135 . . . . 74.209999999999994 109.261 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' MET . . . . . 0.508 ' CG ' ' O ' ' A' ' 68' ' ' ILE . 9.0 ptp 43.21 43.96 4.23 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 64.340000000000003 110.974 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.488 HD12 ' HA ' ' A' ' 70' ' ' LEU . 5.6 tp -66.79 140.75 96.43 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 62.43 109.321 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.13 167.57 26.63 Favored 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.433 1.754 . . . . 75.310000000000002 110.972 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 0.13 9.25 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.612 1.848 . . . . 73.310000000000002 110.997 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -89.23 4.06 49.93 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 75.109999999999999 110.3 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -124.85 -179.39 4.51 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.475 1.11 . . . . 74.239999999999995 109.287 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -138.27 138.06 38.07 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.125 . . . . 54.009999999999998 109.304 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.735 HD13 HD12 ' A' ' 68' ' ' ILE . 0.9 OUTLIER -131.66 121.44 47.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.56 1.163 . . . . 71.129999999999995 109.254 -180.0 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . 0.45 ' HB3' HD11 ' A' ' 84' ' ' LEU . 70.5 m-85 -120.42 143.08 48.66 Favored 'General case' 0 C--N 1.327 -0.408 0 O-C-N 124.468 1.105 . . . . 70.230000000000004 111.02 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.724 ' CG1' HG23 ' A' ' 61' ' ' VAL . 3.7 mm -84.7 157.84 3.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.448 1.092 . . . . 70.040000000000006 109.33 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . 0.484 ' N ' ' O ' ' A' ' 108' ' ' THR . 5.8 m-85 -148.23 129.76 14.92 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 63.119999999999997 111.085 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.604 ' O ' HG23 ' A' ' 83' ' ' THR . 2.0 t -138.2 114.87 11.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.424 1.077 . . . . 75.209999999999994 109.3 -179.899 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . 0.481 ' O ' ' CB ' ' A' ' 82' ' ' ASP . 1.1 m-80 67.31 20.28 10.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.146 . . . . 74.420000000000002 109.347 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . 0.481 ' CB ' ' O ' ' A' ' 81' ' ' ASN . 0.2 OUTLIER 82.42 16.02 0.4 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.47 1.106 . . . . 75.129999999999995 109.259 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' THR . . . . . 0.604 HG23 ' O ' ' A' ' 80' ' ' VAL . 0.7 OUTLIER -121.45 137.59 54.65 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.469 1.106 . . . . 74.25 110.372 -179.936 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.501 ' CD1' ' O ' ' A' ' 78' ' ' ILE . 0.2 OUTLIER -92.87 111.22 50.32 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.574 1.171 . . . . 64.219999999999999 109.284 179.958 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . 0.417 ' HD3' ' O ' ' A' ' 83' ' ' THR . 18.3 Cg_endo -75.01 155.33 42.87 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.483 1.78 . . . . 73.140000000000001 110.972 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . 0.645 ' HD2' ' HB2' ' A' ' 89' ' ' ALA . 18.5 Cg_endo -75.03 -163.34 0.18 Allowed 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.65 1.869 . . . . 70.439999999999998 111.06 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 7.1 p -97.22 -34.81 10.97 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 62.409999999999997 110.323 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -79.62 2.68 21.54 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.412 1.07 . . . . 71.439999999999998 109.224 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . 1.039 ' HB1' HD12 ' A' ' 94' ' ' ILE . . . -76.44 60.28 1.56 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.444 1.09 . . . . 73.430000000000007 109.341 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 1.044 ' CD2' HG23 ' A' ' 56' ' ' THR . 14.6 mt -28.34 118.09 0.11 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 71.209999999999994 109.374 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' MET . . . . . 0.457 ' HB3' ' HE1' ' A' ' 91' ' ' MET . 48.2 mmm -40.22 -28.22 0.06 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 71.209999999999994 110.962 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' SER . . . . . 0.419 ' N ' ' O ' ' A' ' 90' ' ' LEU . 1.0 OUTLIER -66.1 -49.66 66.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.595 1.185 . . . . 61.219999999999999 109.97 -179.964 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . 0.446 ' N ' ' O ' ' A' ' 90' ' ' LEU . . . -71.96 -8.15 52.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.566 1.166 . . . . 70.439999999999998 109.256 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 1.039 HD12 ' HB1' ' A' ' 89' ' ' ALA . 19.8 mm -90.21 -47.6 14.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.565 1.165 . . . . 61.530000000000001 109.259 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' TYR . . . . . 0.793 ' CD2' HD21 ' A' ' 105' ' ' LEU . 5.1 t80 -70.9 -6.45 38.44 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 52.140000000000001 111.068 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . 0.451 ' O ' ' CG ' ' A' ' 96' ' ' GLN . 19.0 tp60 -100.71 -9.7 21.56 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.454 1.096 . . . . 73.329999999999998 110.26 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . 0.458 ' HG3' ' CE1' ' A' ' 98' ' ' HIS . 4.6 pt-20 -118.09 -10.59 10.31 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.535 1.147 . . . . 70.129999999999995 110.322 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . 0.481 ' HB2' HD11 ' A' ' 105' ' ' LEU . 25.0 m-70 -125.8 16.78 8.04 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 62.030000000000001 109.625 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . 0.481 ' HB3' ' O ' ' A' ' 95' ' ' TYR . 0.1 OUTLIER -57.05 157.19 6.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.607 1.192 . . . . 60.420000000000002 109.322 -179.953 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -126.72 173.81 9.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.11 . . . . 64.510000000000005 109.29 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 20.9 mmmt -60.45 -31.18 70.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 74.239999999999995 109.338 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . 0.677 ' CG ' ' HH ' ' A' ' 106' ' ' TYR . 0.4 OUTLIER -84.11 -15.22 48.09 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.572 1.17 . . . . 52.350000000000001 109.293 179.927 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . 0.473 ' O ' ' CE2' ' A' ' 95' ' ' TYR . . . 87.87 -39.31 3.12 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.491 1.119 . . . . 42.140000000000001 110.992 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . 0.784 ' HB3' HH21 ' A' ' 14' ' ' ARG . 11.9 m-85 -59.7 121.08 10.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 0.759 . . . . 73.230000000000004 110.996 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.793 HD21 ' CD2' ' A' ' 95' ' ' TYR . 0.3 OUTLIER -66.06 146.33 54.8 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 74.420000000000002 109.335 179.955 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . 0.677 ' HH ' ' CG ' ' A' ' 102' ' ' ASP . 73.0 m-85 -122.82 88.8 2.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.144 . . . . 64.400000000000006 110.929 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . 0.68 HG13 ' HA ' ' A' ' 33' ' ' CYS . 3.1 p -95.09 168.19 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.506 1.129 . . . . 71.319999999999993 109.28 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' THR . . . . . 0.911 HG21 ' HB3' ' A' ' 34' ' ' GLU . 0.2 OUTLIER -153.02 126.84 8.9 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.468 1.105 . . . . 74.209999999999994 110.388 -179.958 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' TYR . . . . . 0.625 ' CD2' HD12 ' A' ' 76' ' ' ILE . 40.4 p90 -112.34 138.68 48.72 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.381 1.051 . . . . 63.539999999999999 111.047 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -128.71 162.9 26.3 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.507 1.129 . . . . 73.5 109.978 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' GLY . . . . . 0.471 ' HA3' ' CG2' ' A' ' 41' ' ' ILE . . . -74.01 -31.35 59.94 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.462 1.101 . . . . 54.340000000000003 111.01 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . 0.427 ' OE1' ' N ' ' A' ' 112' ' ' GLU . 3.6 pm0 -97.29 177.28 5.61 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 0.784 . . . . 65.25 110.318 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 38.8 t30 . . . . . 0 C--N 1.324 -0.527 0 O-C-N 124.553 1.158 . . . . 71.129999999999995 109.314 179.972 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 629' ' ' ILE . . . . . 0.486 ' C ' HD13 ' B' ' 629' ' ' ILE . 0.7 OUTLIER . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 109.284 -0.636 . . . . 61.409999999999997 109.284 . . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 630' ' ' ALA . . . . . 0.94 ' C ' HG22 ' A' ' 63' ' ' VAL . . . . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.548 1.155 . . . . 73.25 109.303 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 2.1 p . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 110.4 -0.222 . . . . 74.439999999999998 110.4 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . 0.618 ' CZ ' ' OH ' ' A' ' 9' ' ' TYR . 59.1 t80 -66.56 -23.1 66.16 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.11 . . . . 75.109999999999999 111.031 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.93 ' HD3' HG21 ' A' ' 32' ' ' ILE . 3.8 mtmm -100.86 -24.45 14.36 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.415 1.072 . . . . 72.109999999999999 109.289 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 1.3 t -70.09 -6.53 34.55 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.485 1.116 . . . . 63.350000000000001 110.002 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . 0.413 ' HB3' ' CD1' ' A' ' 9' ' ' TYR . 6.9 tp10 -79.77 -50.35 10.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 75.049999999999997 110.379 179.889 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . 0.618 ' OH ' ' CZ ' ' A' ' 5' ' ' PHE . 2.3 p90 -123.53 165.17 24.23 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.541 1.15 . . . . 62.130000000000003 110.958 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -177.16 3.27 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.521 1.8 . . . . 44.439999999999998 111.017 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.41 ' CE1' ' HB3' ' A' ' 102' ' ' ASP . 33.5 t80 -74.52 -33.06 62.69 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.538 1.149 . . . . 73.120000000000005 111.074 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.403 ' HG2' ' NZ ' ' A' ' 15' ' ' LYS . 18.9 mt-10 -69.81 -7.2 37.86 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.471 1.107 . . . . 72.25 110.284 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 6.4 tppt? -100.42 -41.52 6.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.141 . . . . 72.310000000000002 109.309 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.658 ' NE ' ' HH ' ' A' ' 106' ' ' TYR . 3.3 ptm85 -72.64 -39.57 67.07 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.425 1.078 . . . . 72.400000000000006 110.317 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.443 ' N ' ' CG ' ' A' ' 14' ' ' ARG . 47.5 pttt -58.9 -37.22 76.13 Favored 'General case' 0 C--N 1.327 -0.404 0 O-C-N 124.433 1.083 . . . . 63.020000000000003 109.363 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -82.4 -16.07 50.38 Favored 'General case' 0 C--N 1.327 -0.392 0 O-C-N 124.467 1.105 . . . . 52.130000000000003 109.281 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.448 ' HE2' ' HD2' ' A' ' 20' ' ' ARG . 27.3 tp10 -76.3 -50.85 13.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.558 1.161 . . . . 64.25 110.321 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.482 ' OG ' ' CD2' ' A' ' 104' ' ' PHE . 0.0 OUTLIER -66.38 -10.35 42.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.59 1.181 . . . . 73.400000000000006 110.008 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -72.04 -41.0 67.98 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.138 . . . . 72.310000000000002 110.344 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.448 ' HD2' ' HE2' ' A' ' 17' ' ' GLU . 0.7 OUTLIER -81.31 -27.91 34.82 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.502 1.126 . . . . 74.030000000000001 110.282 179.959 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.46 HG12 ' CE2' ' A' ' 25' ' ' PHE . 3.7 mt -69.05 -19.17 23.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.543 1.152 . . . . 70.129999999999995 109.347 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.409 ' O ' ' HB3' ' A' ' 26' ' ' PRO . . . -78.97 -11.96 60.02 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.454 1.097 . . . . 53.32 109.309 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -106.18 -36.63 6.84 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 74.040000000000006 109.295 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.497 ' HB3' ' CE1' ' A' ' 25' ' ' PHE . 5.3 mmm180 -81.26 -39.11 25.79 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.145 . . . . 72.200000000000003 110.233 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.497 ' CE1' ' HB3' ' A' ' 24' ' ' ARG . 1.9 m-85 -130.41 66.86 79.26 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.597 1.185 . . . . 64.319999999999993 111.065 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . 0.409 ' HB3' ' O ' ' A' ' 22' ' ' ALA . 18.5 Cg_endo -74.97 -31.91 5.85 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.52 1.8 . . . . 74.200000000000003 111.096 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 51.8 m-20 -87.42 11.73 13.89 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.474 1.109 . . . . 72.439999999999998 109.246 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.502 ' O ' HD11 ' A' ' 29' ' ' ILE . 1.6 mmt-85 -105.77 -175.94 2.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 75.129999999999995 110.324 179.891 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.688 HG23 ' CB ' ' A' ' 95' ' ' TYR . 37.4 mm -145.08 97.34 4.84 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 73.209999999999994 109.207 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.565 ' HA ' ' CD2' ' A' ' 50' ' ' LEU . 18.2 Cg_endo -75.06 139.63 24.36 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.502 1.79 . . . . 64.019999999999996 111.031 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.835 HG21 ' HB3' ' A' ' 105' ' ' LEU . 5.0 p -156.76 147.22 11.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 75.340000000000003 109.272 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.93 HG21 ' HD3' ' A' ' 6' ' ' LYS . 4.4 mm -111.11 105.76 19.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 65.239999999999995 109.295 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.565 ' HB2' ' CD1' ' A' ' 49' ' ' TYR . 0.5 OUTLIER -76.36 146.77 38.53 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 43.200000000000003 108.28 -179.969 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.706 ' HB3' HG21 ' A' ' 108' ' ' THR . 6.3 tt0 -135.42 168.82 18.5 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.572 1.17 . . . . 74.129999999999995 110.296 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.413 ' HD2' ' N ' ' A' ' 36' ' ' ALA . 0.0 OUTLIER -127.19 127.42 44.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 74.109999999999999 109.293 -179.975 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.449 ' HB3' ' HB2' ' A' ' 110' ' ' SER . . . -74.45 134.87 42.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.115 . . . . 61.539999999999999 109.289 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.447 ' CG ' ' N ' ' A' ' 38' ' ' LYS . 11.2 pt-20 -64.72 -52.25 58.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 72.099999999999994 110.312 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.447 ' N ' ' CG ' ' A' ' 37' ' ' GLU . 47.3 mttt -41.83 -36.6 1.07 Allowed 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.395 1.06 . . . . 70.129999999999995 109.294 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.707 ' HG ' ' H ' ' A' ' 111' ' ' GLY . 0.4 OUTLIER -54.62 169.97 0.18 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 61.219999999999999 109.998 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -123.43 13.7 9.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 65.120000000000005 109.337 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.588 HD12 ' CE1' ' A' ' 109' ' ' TYR . 0.1 OUTLIER -89.11 165.6 25.8 Favored Pre-proline 0 C--N 1.327 -0.402 0 O-C-N 124.469 1.105 . . . . 75.430000000000007 109.302 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . 0.626 ' O ' HG21 ' A' ' 68' ' ' ILE . 18.2 Cg_endo -74.99 130.03 12.9 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.547 1.814 . . . . 64.400000000000006 110.977 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 22.3 tt0 -61.38 155.44 21.5 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.518 1.136 . . . . 74.430000000000007 110.27 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.71 ' HB ' ' HH ' ' A' ' 109' ' ' TYR . 6.7 tt -80.71 158.46 4.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.542 1.151 . . . . 73.530000000000001 109.26 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . 0.43 ' N ' HG12 ' A' ' 44' ' ' ILE . 0.9 OUTLIER -66.29 -46.84 75.6 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.528 1.143 . . . . 74.129999999999995 109.245 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.643 ' O ' HD11 ' A' ' 44' ' ' ILE . 0.0 OUTLIER -149.47 170.45 18.55 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.448 1.092 . . . . 72.310000000000002 109.253 -179.982 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.7 ' HB3' HG22 ' A' ' 32' ' ' ILE . 3.1 mtt180 -114.41 93.72 4.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 73.310000000000002 110.379 179.905 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.57 ' HE2' ' CZ ' ' A' ' 5' ' ' PHE . 0.0 OUTLIER -168.81 118.12 0.7 Allowed 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.499 1.124 . . . . 65.409999999999997 109.273 179.954 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.706 ' HH ' ' CD1' ' A' ' 44' ' ' ILE . 46.5 m-85 -141.03 122.26 14.79 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.555 1.159 . . . . 72.340000000000003 111.047 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.565 ' CD2' ' HA ' ' A' ' 30' ' ' PRO . 6.7 mt -110.26 76.75 1.0 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 74.329999999999998 109.302 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.578 HG11 ' CD1' ' A' ' 60' ' ' PHE . 31.4 m -81.22 154.36 72.08 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 63.399999999999999 109.333 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . 0.418 ' HD3' ' CB ' ' B' ' 630' ' ' ALA . 18.1 Cg_endo -74.96 173.98 13.57 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.394 1.734 . . . . 72.439999999999998 110.962 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -86.83 18.04 3.7 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.45 1.094 . . . . 72.450000000000003 109.312 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 47.3 m-20 -119.44 -37.89 3.09 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.542 1.151 . . . . 72.409999999999997 109.278 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.427 ' HG ' ' CB ' ' A' ' 59' ' ' GLN . 0.5 OUTLIER -58.76 137.02 57.89 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.56 1.163 . . . . 73.349999999999994 109.259 -179.949 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.517 HG23 ' CD1' ' A' ' 90' ' ' LEU . 1.4 p -96.83 -175.67 3.35 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.529 1.143 . . . . 33.539999999999999 110.413 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.663 ' O ' HG21 ' A' ' 61' ' ' VAL . 2.6 t -70.64 -40.54 77.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.403 1.064 . . . . 60.439999999999998 109.26 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -66.5 -32.75 82.6 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.514 1.134 . . . . 73.230000000000004 111.026 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . 0.427 ' CB ' ' HG ' ' A' ' 55' ' ' LEU . 8.1 mt-30 -77.51 -24.0 50.15 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 0.748 . . . . 74.530000000000001 110.283 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.581 ' CZ ' HD12 ' A' ' 64' ' ' ILE . 36.5 t80 -77.13 -42.59 37.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 73.030000000000001 111.048 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.677 HG13 ' CG2' ' A' ' 76' ' ' ILE . 66.6 t -53.26 -34.45 22.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.506 1.129 . . . . 73.010000000000005 109.261 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.593 ' CE1' ' HD2' ' A' ' 66' ' ' LYS . 0.7 OUTLIER -57.74 -38.27 75.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 74.540000000000006 110.992 -179.97 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.628 HG11 ' HA ' ' B' ' 629' ' ' ILE . 64.3 t -74.72 -44.95 45.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 65.319999999999993 109.287 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.698 ' CD1' ' CE2' ' A' ' 49' ' ' TYR . 8.2 mm -60.38 -32.93 52.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.526 1.141 . . . . 74.049999999999997 109.334 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.425 ' CD ' ' HB3' ' A' ' 70' ' ' LEU . 5.5 tpp85 -82.32 -10.99 58.88 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.447 1.092 . . . . 63.25 110.286 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.593 ' HD2' ' CE1' ' A' ' 62' ' ' TYR . 4.6 mttp -86.57 -39.49 16.13 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.582 1.176 . . . . 71.450000000000003 109.316 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -59.67 -41.23 90.15 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.507 1.129 . . . . 74.150000000000006 110.387 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.626 HG21 ' O ' ' A' ' 42' ' ' PRO . 3.9 pt -99.82 4.25 10.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 74.209999999999994 109.31 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' MET . . . . . 0.402 ' C ' ' O ' ' A' ' 68' ' ' ILE . 3.5 ptp 37.43 34.53 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 64.340000000000003 110.916 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.469 HD12 ' HD2' ' A' ' 71' ' ' PRO . 19.5 tp -51.0 139.24 23.33 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.468 1.105 . . . . 62.43 109.286 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . 0.469 ' HD2' HD12 ' A' ' 70' ' ' LEU . 18.2 Cg_endo -75.1 171.45 18.29 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.531 1.806 . . . . 75.310000000000002 110.988 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -14.92 21.14 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.505 1.792 . . . . 73.310000000000002 111.047 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -71.45 -18.94 62.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.607 1.192 . . . . 75.109999999999999 110.307 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 2.9 mttm -109.54 -179.02 3.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.416 1.073 . . . . 74.239999999999995 109.317 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -136.5 -179.45 5.69 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.542 1.151 . . . . 54.009999999999998 109.278 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.705 HD12 ' CD1' ' A' ' 109' ' ' TYR . 1.3 tt -165.62 136.08 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.469 1.106 . . . . 71.129999999999995 109.298 -179.892 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . 0.6 ' HB3' HD11 ' A' ' 84' ' ' LEU . 89.1 m-85 -135.25 133.01 38.52 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.527 1.142 . . . . 70.230000000000004 111.094 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.633 ' CG1' HG23 ' A' ' 61' ' ' VAL . 5.7 mm -84.25 123.54 39.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.42 1.075 . . . . 70.040000000000006 109.337 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -112.86 122.19 46.9 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.535 1.147 . . . . 63.119999999999997 110.968 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.557 HG11 ' CD2' ' A' ' 98' ' ' HIS . 8.2 p -125.78 108.31 19.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.46 1.1 . . . . 75.209999999999994 109.28 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . 0.557 ' ND2' HG23 ' A' ' 80' ' ' VAL . 4.0 m-80 73.27 29.07 1.73 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.466 1.104 . . . . 74.420000000000002 109.358 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 70.43 13.56 7.47 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.487 1.117 . . . . 75.129999999999995 109.361 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' THR . . . . . 0.508 ' O ' ' CG2' ' A' ' 83' ' ' THR . 0.5 OUTLIER -126.47 112.33 15.46 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.452 1.095 . . . . 74.25 110.418 -179.97 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.6 HD11 ' HB3' ' A' ' 77' ' ' PHE . 0.5 OUTLIER -73.34 115.21 38.82 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.59 1.181 . . . . 64.219999999999999 109.241 -179.969 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 161.06 39.44 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.447 1.761 . . . . 73.140000000000001 111.022 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . 0.713 ' HD2' ' HB2' ' A' ' 89' ' ' ALA . 18.4 Cg_endo -75.08 -179.79 5.35 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.486 1.782 . . . . 70.439999999999998 110.995 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' THR . . . . . 0.426 ' H ' HG21 ' A' ' 87' ' ' THR . 2.7 p -82.16 -35.05 28.8 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.438 1.086 . . . . 62.409999999999997 110.443 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -80.97 6.02 14.6 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.533 1.146 . . . . 71.439999999999998 109.302 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . 1.097 ' HB1' HD12 ' A' ' 94' ' ' ILE . . . -76.34 62.66 1.84 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 73.430000000000007 109.263 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.559 ' C ' ' O ' ' A' ' 89' ' ' ALA . 0.6 OUTLIER -26.73 114.89 0.06 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.556 1.16 . . . . 71.209999999999994 109.309 179.963 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' MET . . . . . 0.504 ' HE3' HG22 ' A' ' 51' ' ' VAL . 48.7 mmm -40.28 -27.77 0.05 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.57 1.169 . . . . 71.209999999999994 110.984 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' SER . . . . . 0.419 ' N ' ' O ' ' A' ' 90' ' ' LEU . 0.4 OUTLIER -66.64 -52.08 48.96 Favored 'General case' 0 C--N 1.323 -0.563 0 O-C-N 124.543 1.152 . . . . 61.219999999999999 109.962 -179.907 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . 0.407 ' N ' ' O ' ' A' ' 90' ' ' LEU . . . -69.99 -8.27 47.69 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.56 1.163 . . . . 70.439999999999998 109.307 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 1.097 HD12 ' HB1' ' A' ' 89' ' ' ALA . 36.8 mm -92.44 -42.41 13.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.105 . . . . 61.530000000000001 109.297 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' TYR . . . . . 0.688 ' CB ' HG23 ' A' ' 29' ' ' ILE . 4.0 t80 -76.58 -4.54 43.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.115 . . . . 52.140000000000001 110.989 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . 0.442 ' O ' ' CG ' ' A' ' 96' ' ' GLN . 22.8 tp60 -104.26 -10.3 17.96 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.547 1.155 . . . . 73.329999999999998 110.242 -179.906 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -121.22 -5.89 9.42 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.486 1.116 . . . . 70.129999999999995 110.287 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . 0.68 ' HB2' HD11 ' A' ' 105' ' ' LEU . 8.8 m-70 -123.46 11.98 9.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.657 1.223 . . . . 62.030000000000001 109.606 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . 0.48 ' HB3' ' O ' ' A' ' 95' ' ' TYR . 0.1 OUTLIER -67.09 155.45 38.68 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.537 1.148 . . . . 60.420000000000002 109.317 179.959 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . 0.422 ' O ' ' N ' ' A' ' 103' ' ' GLY . 1.3 t70 -130.63 178.21 6.8 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.425 1.078 . . . . 64.510000000000005 109.28 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 29.8 mtmm -47.06 -53.87 11.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.584 1.177 . . . . 74.239999999999995 109.265 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . 0.594 ' HD2' ' HE2' ' A' ' 106' ' ' TYR . 1.1 p30 -61.62 -26.16 67.82 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.485 1.115 . . . . 52.350000000000001 109.312 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . 0.422 ' N ' ' O ' ' A' ' 100' ' ' ASP . . . 93.88 -39.39 2.94 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.519 1.137 . . . . 42.140000000000001 110.976 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . 0.561 ' CE1' ' NZ ' ' A' ' 48' ' ' LYS . 12.6 m-85 -57.36 122.18 11.96 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.499 0.764 . . . . 73.230000000000004 111.003 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.835 ' HB3' HG21 ' A' ' 31' ' ' VAL . 0.2 OUTLIER -61.75 163.48 7.32 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.435 1.084 . . . . 74.420000000000002 109.268 -179.95 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . 0.658 ' HH ' ' NE ' ' A' ' 14' ' ' ARG . 81.5 m-85 -145.64 115.33 7.27 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.56 1.163 . . . . 64.400000000000006 110.983 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . 0.732 HG21 ' N ' ' A' ' 108' ' ' THR . 1.4 m -122.42 -178.29 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.455 1.097 . . . . 71.319999999999993 109.316 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' THR . . . . . 0.732 ' N ' HG21 ' A' ' 107' ' ' VAL . 1.2 m -153.22 106.12 2.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 74.209999999999994 110.372 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' TYR . . . . . 0.71 ' HH ' ' HB ' ' A' ' 44' ' ' ILE . 11.4 p90 -94.87 122.9 37.98 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.478 1.112 . . . . 63.539999999999999 110.974 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' SER . . . . . 0.449 ' HB2' ' HB3' ' A' ' 36' ' ' ALA . 15.2 t -134.46 155.14 50.87 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.538 1.149 . . . . 73.5 109.998 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' GLY . . . . . 0.707 ' H ' ' HG ' ' A' ' 39' ' ' SER . . . -58.78 -40.64 95.28 Favored Glycine 0 CA--C 1.528 0.9 0 O-C-N 124.415 1.072 . . . . 54.340000000000003 110.935 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . 0.577 ' HE2' ' HA ' ' A' ' 39' ' ' SER . 25.9 pm0 -94.26 151.89 19.1 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.454 0.738 . . . . 65.25 110.326 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 60.2 t-20 . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 71.129999999999995 109.328 -179.95 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 629' ' ' ILE . . . . . 0.628 ' HA ' HG11 ' A' ' 63' ' ' VAL . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.27 -0.641 . . . . 61.409999999999997 109.27 . . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 630' ' ' ALA . . . . . 0.576 ' HB2' HG12 ' A' ' 51' ' ' VAL . . . . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 73.25 109.311 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.832 ' HG1' ' HA ' ' A' ' 46' ' ' LYS . 2.1 p . . . . . 0 N--CA 1.452 -0.353 0 N-CA-C 110.391 -0.226 . . . . 74.439999999999998 110.391 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . 0.609 ' CZ ' ' OH ' ' A' ' 9' ' ' TYR . 20.2 t80 -62.67 -12.7 25.09 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 75.109999999999999 110.997 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 12.0 tttt -100.48 -13.8 18.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.566 1.166 . . . . 72.109999999999999 109.302 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 28.8 t -103.63 5.29 36.37 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.528 1.143 . . . . 63.350000000000001 110.039 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . 0.582 ' HB3' ' CE2' ' A' ' 9' ' ' TYR . 18.9 tp10 -84.13 -18.4 36.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.412 1.07 . . . . 75.049999999999997 110.232 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . 0.609 ' OH ' ' CZ ' ' A' ' 5' ' ' PHE . 0.3 OUTLIER -159.26 171.33 7.51 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.565 1.166 . . . . 62.130000000000003 110.976 179.986 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -177.17 3.28 Favored 'Trans proline' 0 C--N 1.361 1.232 0 O-C-N 124.421 1.748 . . . . 44.439999999999998 111.033 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.51 ' HA ' ' CD ' ' A' ' 14' ' ' ARG . 1.0 OUTLIER -73.27 -22.85 60.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.41 1.069 . . . . 73.120000000000005 110.987 -179.95 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.479 ' HA ' ' CD ' ' A' ' 15' ' ' LYS . 40.4 mt-10 -75.57 -4.09 37.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.57 1.169 . . . . 72.25 110.351 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.497 ' CB ' ' HB2' ' A' ' 9' ' ' TYR . 0.1 OUTLIER -86.17 -64.66 1.12 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.411 1.069 . . . . 72.310000000000002 109.29 -179.971 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.515 ' CZ ' ' OH ' ' A' ' 106' ' ' TYR . 0.0 OUTLIER -57.83 -25.35 60.52 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.546 1.154 . . . . 72.400000000000006 110.348 179.97 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.479 ' CD ' ' HA ' ' A' ' 12' ' ' GLU . 34.0 pttt -76.55 -40.3 50.21 Favored 'General case' 0 C--N 1.323 -0.566 0 O-C-N 124.512 1.132 . . . . 63.020000000000003 109.27 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -74.81 -27.92 60.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.57 1.169 . . . . 52.130000000000003 109.352 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.725 ' HE2' HH21 ' A' ' 20' ' ' ARG . 36.7 tp10 -71.7 -42.59 67.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 64.25 110.261 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.521 ' HB3' ' CD1' ' A' ' 104' ' ' PHE . 60.2 p -73.58 -8.61 56.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.148 . . . . 73.400000000000006 110.027 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -81.45 -28.41 34.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 72.310000000000002 110.285 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.725 HH21 ' HE2' ' A' ' 17' ' ' GLU . 23.0 ptt180 -101.81 -29.8 11.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.412 1.07 . . . . 74.030000000000001 110.275 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 6.7 mt -62.34 -20.89 25.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.112 . . . . 70.129999999999995 109.251 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.425 ' O ' ' HB3' ' A' ' 26' ' ' PRO . . . -71.98 -20.11 61.78 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.486 1.116 . . . . 53.32 109.263 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -101.74 -36.56 8.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.585 1.178 . . . . 74.040000000000006 109.297 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.511 ' HB3' ' CD2' ' A' ' 25' ' ' PHE . 0.2 OUTLIER -71.01 -53.1 15.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.459 1.099 . . . . 72.200000000000003 110.224 -179.929 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.511 ' CD2' ' HB3' ' A' ' 24' ' ' ARG . 4.7 m-85 -136.32 81.84 36.28 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.477 1.111 . . . . 64.319999999999993 110.995 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . 0.425 ' HB3' ' O ' ' A' ' 22' ' ' ALA . 18.3 Cg_endo -74.93 -8.18 19.91 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.392 1.733 . . . . 74.200000000000003 110.91 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 7.5 p30 -107.42 27.29 9.25 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.421 1.075 . . . . 72.439999999999998 109.285 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.544 ' HB3' HD11 ' A' ' 50' ' ' LEU . 19.8 mmt-85 -113.85 178.1 4.4 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.477 1.111 . . . . 75.129999999999995 110.232 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.585 HG23 ' CB ' ' A' ' 95' ' ' TYR . 37.4 mm -147.64 93.02 4.65 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.351 1.032 . . . . 73.209999999999994 109.292 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.585 ' HD2' ' CE2' ' A' ' 95' ' ' TYR . 18.4 Cg_endo -75.04 119.72 5.76 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.554 1.818 . . . . 64.019999999999996 110.982 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.788 HG21 ' HB3' ' A' ' 105' ' ' LEU . 3.8 p -137.6 148.5 25.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.456 1.097 . . . . 75.340000000000003 109.39 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.564 HG23 ' O ' ' A' ' 47' ' ' ARG . 40.4 mm -113.1 105.53 18.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.142 . . . . 65.239999999999995 109.263 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.453 ' SG ' HG23 ' A' ' 107' ' ' VAL . 2.6 t -93.31 128.01 39.15 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.482 1.114 . . . . 43.200000000000003 108.3 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.458 ' O ' ' CD1' ' A' ' 109' ' ' TYR . 5.8 tp10 -125.77 166.04 17.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 74.129999999999995 110.308 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.551 ' HG2' ' CE2' ' A' ' 109' ' ' TYR . 0.0 OUTLIER -103.99 127.61 51.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.567 1.167 . . . . 74.109999999999999 109.292 179.957 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.418 ' N ' ' HD2' ' A' ' 35' ' ' LYS . . . -70.91 138.42 50.1 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.57 1.169 . . . . 61.539999999999999 109.274 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.453 ' CG ' ' N ' ' A' ' 38' ' ' LYS . 11.7 pt-20 -62.08 -49.28 76.57 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.537 1.148 . . . . 72.099999999999994 110.352 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.453 ' N ' ' CG ' ' A' ' 37' ' ' GLU . 0.1 OUTLIER -44.92 -50.93 10.21 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.543 1.152 . . . . 70.129999999999995 109.274 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.515 ' HG ' ' HD3' ' A' ' 35' ' ' LYS . 0.3 OUTLIER -42.69 164.03 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.549 1.155 . . . . 61.219999999999999 110.039 179.96 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 68.3 m-20 -117.54 1.62 12.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.412 1.07 . . . . 65.120000000000005 109.313 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.6 HD12 ' CE2' ' A' ' 109' ' ' TYR . 0.1 OUTLIER -75.26 166.2 47.39 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.137 . . . . 75.430000000000007 109.35 179.916 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . 0.448 ' O ' HG21 ' A' ' 68' ' ' ILE . 18.3 Cg_endo -75.0 127.82 10.99 Favored 'Trans proline' 0 C--N 1.358 1.077 0 O-C-N 124.528 1.804 . . . . 64.400000000000006 110.942 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 7.7 tt0 -62.4 156.37 22.78 Favored 'General case' 0 C--N 1.327 -0.404 0 O-C-N 124.415 1.072 . . . . 74.430000000000007 110.301 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.51 ' HB ' ' HH ' ' A' ' 109' ' ' TYR . 16.5 tt -85.4 157.94 3.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.563 1.164 . . . . 73.530000000000001 109.284 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -62.22 -48.41 80.12 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.559 1.162 . . . . 74.129999999999995 109.263 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.832 ' HA ' ' HG1' ' A' ' 4' ' ' THR . 0.0 OUTLIER -143.3 165.49 27.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.566 1.166 . . . . 72.310000000000002 109.266 179.974 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.564 ' O ' HG23 ' A' ' 32' ' ' ILE . 3.5 ptm180 -111.46 94.88 5.19 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.636 1.21 . . . . 73.310000000000002 110.361 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.557 ' HD3' ' CE1' ' A' ' 5' ' ' PHE . 15.0 tptp -166.65 127.89 1.7 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 65.409999999999997 109.303 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.698 ' CE2' ' CD1' ' A' ' 64' ' ' ILE . 44.8 m-85 -149.43 104.14 3.35 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.465 1.103 . . . . 72.340000000000003 110.996 -179.899 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.544 HD11 ' HB3' ' A' ' 28' ' ' ARG . 17.9 tp -98.6 77.26 2.28 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.504 1.127 . . . . 74.329999999999998 109.318 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 1.017 HG12 ' HB2' ' B' ' 630' ' ' ALA . 30.2 m -82.35 157.7 67.49 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.463 1.102 . . . . 63.399999999999999 109.245 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.06 176.76 9.51 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.477 1.777 . . . . 72.439999999999998 110.977 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -89.65 18.31 5.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 72.450000000000003 109.281 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -117.42 -38.05 3.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.449 1.093 . . . . 72.409999999999997 109.361 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.478 HD22 ' HA ' ' A' ' 60' ' ' PHE . 0.4 OUTLIER -56.43 135.58 54.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 73.349999999999994 109.276 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 1.103 HG23 ' CD2' ' A' ' 90' ' ' LEU . 10.6 p -95.18 169.67 9.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 33.539999999999999 110.406 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.417 ' HB ' ' O ' ' A' ' 86' ' ' PRO . 2.4 t -59.83 -47.85 89.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 60.439999999999998 109.296 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -61.27 -30.96 75.41 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.442 1.089 . . . . 73.230000000000004 110.982 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 9.2 mt-30 -82.35 -21.12 36.11 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.519 0.776 . . . . 74.530000000000001 110.272 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.478 ' HA ' HD22 ' A' ' 55' ' ' LEU . 20.7 t80 -76.14 -41.98 48.29 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.501 1.126 . . . . 73.030000000000001 110.952 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.861 HG13 ' CG2' ' A' ' 76' ' ' ILE . 48.0 t -51.53 -38.05 20.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 73.010000000000005 109.311 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.524 ' CZ ' ' HE2' ' A' ' 66' ' ' LYS . 0.7 OUTLIER -55.19 -38.85 68.89 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.536 1.148 . . . . 74.540000000000006 110.956 -179.977 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.756 HG22 ' HA ' ' B' ' 630' ' ' ALA . 64.1 t -65.0 -38.14 82.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.123 . . . . 65.319999999999993 109.312 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.698 ' CD1' ' CE2' ' A' ' 49' ' ' TYR . 6.4 mm -69.04 -39.8 80.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.123 . . . . 74.049999999999997 109.361 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.445 ' CD ' ' HB3' ' A' ' 70' ' ' LEU . 5.9 tpp85 -72.84 -3.78 27.65 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.424 1.077 . . . . 63.25 110.387 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.524 ' HE2' ' CZ ' ' A' ' 62' ' ' TYR . 0.7 OUTLIER -94.14 -42.73 8.83 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.395 1.059 . . . . 71.450000000000003 109.25 -179.91 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -60.55 -36.95 79.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.582 1.176 . . . . 74.150000000000006 110.297 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.548 HD12 ' CD1' ' A' ' 76' ' ' ILE . 2.7 pt -105.57 4.03 10.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.557 1.161 . . . . 74.209999999999994 109.348 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' MET . . . . . 0.405 ' C ' ' O ' ' A' ' 68' ' ' ILE . 4.9 ptp 37.47 33.55 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.142 . . . . 64.340000000000003 111.006 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.479 HD23 HD13 ' A' ' 68' ' ' ILE . 5.4 tp -54.24 140.48 53.96 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 62.43 109.288 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.95 170.93 19.31 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.57 1.826 . . . . 75.310000000000002 111.026 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 -2.15 12.16 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.554 1.818 . . . . 73.310000000000002 111.051 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -87.96 2.13 52.44 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.504 1.128 . . . . 75.109999999999999 110.311 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 11.1 mttm -121.38 -179.09 3.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 74.239999999999995 109.284 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -141.67 149.61 40.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 54.009999999999998 109.272 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.861 ' CG2' HG13 ' A' ' 61' ' ' VAL . 2.6 tt -141.83 124.91 15.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.576 1.173 . . . . 71.129999999999995 109.326 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . 0.809 ' HB3' HD22 ' A' ' 84' ' ' LEU . 99.0 m-85 -119.87 134.32 55.28 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.553 1.158 . . . . 70.230000000000004 111.013 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.683 ' CG2' HG22 ' A' ' 107' ' ' VAL . 3.2 mm -86.85 114.22 25.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 70.040000000000006 109.347 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -104.47 118.74 37.35 Favored 'General case' 0 C--N 1.323 -0.556 0 O-C-N 124.6 1.188 . . . . 63.119999999999997 110.974 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.92 HG23 ' ND2' ' A' ' 81' ' ' ASN . 1.7 p -125.9 105.22 14.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.409 1.068 . . . . 75.209999999999994 109.312 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . 0.92 ' ND2' HG23 ' A' ' 80' ' ' VAL . 3.3 m-20 74.71 31.87 0.91 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.458 1.099 . . . . 74.420000000000002 109.297 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 69.43 13.16 8.4 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.494 1.121 . . . . 75.129999999999995 109.285 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' THR . . . . . 0.694 HG23 ' O ' ' A' ' 80' ' ' VAL . 0.6 OUTLIER -119.5 141.58 49.06 Favored 'General case' 0 C--N 1.327 -0.408 0 O-C-N 124.526 1.141 . . . . 74.25 110.387 179.951 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.809 HD22 ' HB3' ' A' ' 77' ' ' PHE . 1.3 mt -103.59 110.33 63.66 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 64.219999999999999 109.25 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . 0.412 ' HG3' HG11 ' A' ' 80' ' ' VAL . 18.4 Cg_endo -75.12 156.83 42.51 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.52 1.8 . . . . 73.140000000000001 111.029 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . 0.675 ' HD2' ' HB2' ' A' ' 89' ' ' ALA . 18.3 Cg_endo -75.0 175.59 11.04 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.491 1.785 . . . . 70.439999999999998 110.99 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 20.8 p -77.43 -35.36 54.14 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.478 1.111 . . . . 62.409999999999997 110.371 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -77.19 1.48 18.27 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.542 1.152 . . . . 71.439999999999998 109.306 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . 0.9 ' HB1' HD12 ' A' ' 94' ' ' ILE . . . -75.92 61.21 1.45 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 73.430000000000007 109.31 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 1.103 ' CD2' HG23 ' A' ' 56' ' ' THR . 20.8 mt -27.65 118.79 0.1 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.55 1.156 . . . . 71.209999999999994 109.273 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' MET . . . . . 0.46 ' HB3' ' HE1' ' A' ' 91' ' ' MET . 48.7 mmm -39.68 -28.01 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.148 . . . . 71.209999999999994 111.004 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' SER . . . . . 0.437 ' N ' ' O ' ' A' ' 90' ' ' LEU . 18.0 t -65.56 -49.28 69.47 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.464 1.102 . . . . 61.219999999999999 110.015 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . 0.458 ' N ' ' O ' ' A' ' 90' ' ' LEU . . . -73.21 -8.3 55.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 70.439999999999998 109.286 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.9 HD12 ' HB1' ' A' ' 89' ' ' ALA . 13.2 mm -88.18 -52.1 11.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.128 . . . . 61.530000000000001 109.217 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' TYR . . . . . 0.732 ' CD2' HD21 ' A' ' 105' ' ' LEU . 5.2 t80 -69.28 -6.33 28.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.552 1.157 . . . . 52.140000000000001 110.952 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . 0.435 ' O ' ' CG ' ' A' ' 96' ' ' GLN . 3.7 tt0 -102.82 -11.68 18.13 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.496 1.122 . . . . 73.329999999999998 110.321 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -113.59 -18.24 11.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 70.129999999999995 110.3 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . 0.521 ' ND1' HD22 ' A' ' 81' ' ' ASN . 60.0 m-70 -119.65 19.15 12.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 62.030000000000001 109.572 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . 0.51 ' HB3' ' O ' ' A' ' 95' ' ' TYR . 0.1 OUTLIER -58.75 158.11 8.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.117 . . . . 60.420000000000002 109.316 179.928 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . 0.436 ' O ' ' N ' ' A' ' 103' ' ' GLY . 0.3 OUTLIER -127.76 170.57 12.6 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.424 1.078 . . . . 64.510000000000005 109.303 179.933 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 30.9 mtmt -42.75 -65.68 0.45 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 74.239999999999995 109.292 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -52.81 -28.45 22.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.444 1.09 . . . . 52.350000000000001 109.359 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . 0.436 ' N ' ' O ' ' A' ' 100' ' ' ASP . . . 104.98 -38.6 3.21 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.588 1.18 . . . . 42.140000000000001 110.934 179.882 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . 0.521 ' CD1' ' HB3' ' A' ' 18' ' ' SER . 2.9 m-85 -54.96 144.68 22.38 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.517 0.775 . . . . 73.230000000000004 111.048 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.788 ' HB3' HG21 ' A' ' 31' ' ' VAL . 0.2 OUTLIER -85.89 155.34 20.98 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.568 1.167 . . . . 74.420000000000002 109.248 -179.961 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . 0.515 ' OH ' ' CZ ' ' A' ' 14' ' ' ARG . 59.9 m-85 -146.21 109.13 4.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.55 1.156 . . . . 64.400000000000006 111.017 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . 0.75 HG21 ' N ' ' A' ' 108' ' ' THR . 1.3 m -119.54 -176.35 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.11 . . . . 71.319999999999993 109.295 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' THR . . . . . 0.75 ' N ' HG21 ' A' ' 107' ' ' VAL . 1.2 m -153.28 113.52 3.97 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.552 1.157 . . . . 74.209999999999994 110.337 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' TYR . . . . . 0.765 ' CD2' HD12 ' A' ' 76' ' ' ILE . 29.9 p90 -94.41 131.73 39.78 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.465 1.103 . . . . 63.539999999999999 111.008 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' SER . . . . . 0.413 ' HB3' ' HB3' ' A' ' 36' ' ' ALA . 0.1 OUTLIER -132.6 166.5 21.97 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.431 1.082 . . . . 73.5 109.981 179.974 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' GLY . . . . . 0.439 ' HA3' ' CG2' ' A' ' 41' ' ' ILE . . . -83.95 2.94 86.96 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.581 1.176 . . . . 54.340000000000003 111.024 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -121.39 156.03 33.53 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.436 0.727 . . . . 65.25 110.35 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . 0.558 ' ND2' HD13 ' A' ' 84' ' ' LEU . 16.2 t-20 . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.562 1.164 . . . . 71.129999999999995 109.241 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 629' ' ' ILE . . . . . 0.592 ' C ' HG11 ' A' ' 63' ' ' VAL . 0.8 OUTLIER . . . . . 0 N--CA 1.454 -0.253 0 N-CA-C 109.312 -0.625 . . . . 61.409999999999997 109.312 . . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 630' ' ' ALA . . . . . 1.017 ' HB2' HG12 ' A' ' 51' ' ' VAL . . . . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.402 1.064 . . . . 73.25 109.357 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.718 ' HG1' ' HA ' ' A' ' 46' ' ' LYS . 71.0 p . . . . . 0 N--CA 1.452 -0.334 0 N-CA-C 110.394 -0.224 . . . . 74.439999999999998 110.394 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . 0.603 ' CE1' ' OH ' ' A' ' 9' ' ' TYR . 8.5 t80 -60.85 -16.63 43.45 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.55 1.156 . . . . 75.109999999999999 110.993 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.416 ' CB ' ' HD3' ' A' ' 47' ' ' ARG . 27.8 ttpp -96.77 -24.47 15.92 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.532 1.145 . . . . 72.109999999999999 109.286 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 1.8 t -97.68 3.62 50.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 63.350000000000001 109.941 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . 0.401 ' OE2' ' HA ' ' A' ' 8' ' ' GLU . 1.6 mm-40 -78.01 -10.69 59.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.148 . . . . 75.049999999999997 110.282 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . 0.603 ' OH ' ' CE1' ' A' ' 5' ' ' PHE . 0.8 OUTLIER -170.12 167.68 4.71 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.495 1.122 . . . . 62.130000000000003 111.005 -179.985 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 172.14 16.93 Favored 'Trans proline' 0 C--N 1.361 1.237 0 O-C-N 124.444 1.76 . . . . 44.439999999999998 111.009 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.591 ' CE2' ' HB3' ' A' ' 102' ' ' ASP . 0.9 OUTLIER -63.15 -44.02 96.68 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.466 1.104 . . . . 73.120000000000005 110.986 179.953 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.425 ' HA ' ' CD ' ' A' ' 15' ' ' LYS . 38.5 mt-10 -58.84 -15.27 11.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 72.25 110.24 -179.905 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 9.5 tppt? -94.75 -52.72 4.15 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.44 1.087 . . . . 72.310000000000002 109.357 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.468 ' HB3' ' CZ ' ' A' ' 14' ' ' ARG . 1.7 tmm_? -63.61 -19.72 65.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 72.400000000000006 110.26 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.555 ' HD3' ' CE1' ' A' ' 11' ' ' PHE . 48.0 pttt -77.06 -43.96 32.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.456 1.097 . . . . 63.020000000000003 109.297 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -71.16 -13.52 61.97 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.577 1.173 . . . . 52.130000000000003 109.333 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 39.1 tp10 -76.69 -41.06 46.8 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.439 1.087 . . . . 64.25 110.334 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.465 ' HB3' ' CD2' ' A' ' 104' ' ' PHE . 0.6 OUTLIER -76.58 -17.99 58.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 73.400000000000006 109.982 179.976 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 20.5 mm-40 -65.41 -58.03 6.86 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.593 1.183 . . . . 72.310000000000002 110.337 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 3.8 ptt180 -63.65 -26.28 68.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 74.030000000000001 110.305 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 5.6 mt -65.82 -24.32 34.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.104 . . . . 70.129999999999995 109.232 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -71.5 -27.51 63.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 53.32 109.218 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 39.1 t0 -88.37 -48.79 7.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 74.040000000000006 109.329 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.514 ' HB3' ' CD2' ' A' ' 25' ' ' PHE . 1.8 ttp85 -61.23 -44.27 97.54 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.467 1.104 . . . . 72.200000000000003 110.302 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.514 ' CD2' ' HB3' ' A' ' 24' ' ' ARG . 9.5 m-85 -142.73 88.29 8.64 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.445 1.091 . . . . 64.319999999999993 111.051 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 -25.75 11.68 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.483 1.781 . . . . 74.200000000000003 111.066 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.485 ' N ' HD21 ' A' ' 27' ' ' ASN . 0.9 OUTLIER -97.24 43.01 1.08 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.399 1.062 . . . . 72.439999999999998 109.311 -179.984 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.45 ' CG ' ' HB3' ' A' ' 25' ' ' PHE . 0.1 OUTLIER -128.35 168.25 15.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 75.129999999999995 110.358 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.566 HG23 ' CB ' ' A' ' 95' ' ' TYR . 11.7 mm -127.38 99.8 27.01 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 73.209999999999994 109.22 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.642 ' HA ' HD23 ' A' ' 50' ' ' LEU . 18.4 Cg_endo -75.02 109.74 2.99 Favored 'Trans proline' 0 C--N 1.361 1.224 0 O-C-N 124.423 1.749 . . . . 64.019999999999996 110.982 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.642 ' O ' HD11 ' A' ' 32' ' ' ILE . 1.5 m -129.4 168.12 23.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.559 1.162 . . . . 75.340000000000003 109.281 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.755 HD12 ' CD1' ' A' ' 104' ' ' PHE . 3.8 mm -136.43 99.6 2.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.451 1.094 . . . . 65.239999999999995 109.191 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 1.057 ' HG ' HD13 ' A' ' 64' ' ' ILE . 3.7 t -64.31 135.55 56.31 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.538 1.149 . . . . 43.200000000000003 108.347 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.871 ' CG ' HH21 ' A' ' 47' ' ' ARG . 2.4 tt0 -138.75 166.69 23.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.113 . . . . 74.129999999999995 110.236 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.48 ' HB3' ' HZ3' ' A' ' 35' ' ' LYS . 0.0 OUTLIER -118.26 136.87 53.42 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.419 1.074 . . . . 74.109999999999999 109.336 179.922 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -82.94 133.99 35.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 61.539999999999999 109.356 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.466 ' CG ' ' N ' ' A' ' 38' ' ' LYS . 11.5 pt-20 -61.99 -49.08 77.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 72.099999999999994 110.365 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.466 ' N ' ' CG ' ' A' ' 37' ' ' GLU . 0.0 OUTLIER -44.92 -30.41 1.0 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.419 1.074 . . . . 70.129999999999995 109.205 -179.98 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.651 ' HG ' ' H ' ' A' ' 111' ' ' GLY . 0.8 OUTLIER -65.87 171.74 4.15 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.136 . . . . 61.219999999999999 109.942 -179.974 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 19.4 t0 -127.21 18.67 7.03 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.455 1.097 . . . . 65.120000000000005 109.222 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.592 HD12 ' CE2' ' A' ' 109' ' ' TYR . 0.1 OUTLIER -94.12 164.14 21.29 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.431 1.082 . . . . 75.430000000000007 109.312 -179.947 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . 0.503 ' O ' HG21 ' A' ' 68' ' ' ILE . 18.2 Cg_endo -75.12 130.47 13.18 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.504 1.792 . . . . 64.400000000000006 111.006 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 15.5 tt0 -71.46 156.58 39.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 74.430000000000007 110.252 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.695 HD12 ' HG3' ' A' ' 67' ' ' ARG . 13.8 tt -73.59 170.72 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.554 1.159 . . . . 73.530000000000001 109.405 179.904 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . 0.4 ' H ' ' CG1' ' A' ' 44' ' ' ILE . 39.1 m-20 -76.17 -44.21 39.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 74.129999999999995 109.354 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.718 ' HA ' ' HG1' ' A' ' 4' ' ' THR . 0.0 OUTLIER -138.92 168.88 18.85 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 72.310000000000002 109.318 179.961 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.871 HH21 ' CG ' ' A' ' 34' ' ' GLU . 0.2 OUTLIER -119.28 92.16 3.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 73.310000000000002 110.332 -179.958 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.629 ' NZ ' HD21 ' A' ' 50' ' ' LEU . 17.5 tptt -167.89 113.47 0.69 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.644 1.215 . . . . 65.409999999999997 109.369 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.64 ' CE2' ' CD1' ' A' ' 64' ' ' ILE . 18.5 m-85 -137.46 121.72 18.09 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 72.340000000000003 110.965 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.642 HD23 ' HA ' ' A' ' 30' ' ' PRO . 0.5 OUTLIER -105.42 76.58 1.22 Allowed 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.484 1.115 . . . . 74.329999999999998 109.344 179.976 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.737 HG21 ' HD2' ' A' ' 52' ' ' PRO . 2.4 p -75.61 144.03 76.47 Favored Pre-proline 0 C--N 1.326 -0.423 0 O-C-N 124.419 1.075 . . . . 63.399999999999999 109.284 -179.903 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . 0.737 ' HD2' HG21 ' A' ' 51' ' ' VAL . 18.1 Cg_endo -75.01 174.89 12.0 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.506 1.793 . . . . 72.439999999999998 110.949 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.543 ' HB1' ' OG ' ' A' ' 92' ' ' SER . . . -89.64 19.16 4.81 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.592 1.182 . . . . 72.450000000000003 109.316 179.902 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -120.08 -38.72 2.9 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.478 1.111 . . . . 72.409999999999997 109.403 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.437 ' HG ' ' CB ' ' A' ' 59' ' ' GLN . 2.8 tp -60.66 132.84 55.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 73.349999999999994 109.231 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.444 HG23 ' CD1' ' A' ' 90' ' ' LEU . 1.3 p -89.59 -173.48 3.97 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.546 1.154 . . . . 33.539999999999999 110.355 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 2.4 t -73.56 -44.81 52.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.536 1.147 . . . . 60.439999999999998 109.299 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -70.22 -9.2 63.49 Favored Glycine 0 CA--C 1.529 0.921 0 O-C-N 124.411 1.069 . . . . 73.230000000000004 111.007 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . 0.437 ' CB ' ' HG ' ' A' ' 55' ' ' LEU . 6.7 mt-30 -95.68 -24.74 16.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.449 0.735 . . . . 74.530000000000001 110.27 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.646 ' CE2' HD12 ' A' ' 64' ' ' ILE . 44.1 t80 -77.77 -42.62 33.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.116 . . . . 73.030000000000001 111.006 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.689 HG23 HG12 ' A' ' 78' ' ' ILE . 95.6 t -47.91 -34.01 4.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 73.010000000000005 109.248 -179.917 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.555 ' CE1' ' HG3' ' A' ' 66' ' ' LYS . 0.2 OUTLIER -60.79 -38.85 86.7 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.557 1.161 . . . . 74.540000000000006 111.0 -179.98 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 1.019 HG22 ' C ' ' B' ' 630' ' ' ALA . 43.7 t -70.07 -43.47 79.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 65.319999999999993 109.329 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 1.057 HD13 ' HG ' ' A' ' 33' ' ' CYS . 3.8 mm -65.51 -33.88 66.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.547 1.154 . . . . 74.049999999999997 109.318 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.422 ' HE ' HG22 ' A' ' 76' ' ' ILE . 4.4 tpp85 -81.27 -3.25 51.88 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.455 1.097 . . . . 63.25 110.243 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.555 ' HG3' ' CE1' ' A' ' 62' ' ' TYR . 6.7 mmmt -90.52 -49.9 6.24 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.595 1.184 . . . . 71.450000000000003 109.297 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . 0.695 ' HG3' HD12 ' A' ' 44' ' ' ILE . 5.5 mmp_? -50.17 -67.5 0.25 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 74.150000000000006 110.293 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.503 HG21 ' O ' ' A' ' 42' ' ' PRO . 5.7 pt -72.02 -6.23 7.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.128 . . . . 74.209999999999994 109.283 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' MET . . . . . 0.496 ' CG ' ' O ' ' A' ' 68' ' ' ILE . 5.2 ptp 42.73 44.04 3.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 64.340000000000003 110.98 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.463 HD12 ' HA ' ' A' ' 70' ' ' LEU . 5.2 tp -53.96 140.51 51.07 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 62.43 109.276 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 170.04 21.29 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.544 1.813 . . . . 75.310000000000002 110.937 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.12 -0.42 9.98 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.457 1.767 . . . . 73.310000000000002 111.012 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 18.3 pt-20 -92.62 2.92 56.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 75.109999999999999 110.311 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -125.87 -179.62 4.76 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.5 1.125 . . . . 74.239999999999995 109.356 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -139.36 160.88 38.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.563 1.165 . . . . 54.009999999999998 109.304 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.882 HD12 ' CD2' ' A' ' 109' ' ' TYR . 1.6 tt -150.98 135.78 9.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.562 1.164 . . . . 71.129999999999995 109.231 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . 0.707 ' HB3' HD11 ' A' ' 84' ' ' LEU . 94.8 m-85 -135.97 138.01 41.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 70.230000000000004 111.04 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.744 HG23 HG13 ' A' ' 107' ' ' VAL . 10.3 mm -84.1 135.4 24.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.557 1.161 . . . . 70.040000000000006 109.376 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . 0.488 ' CZ ' HD13 ' A' ' 84' ' ' LEU . 3.9 m-85 -127.2 119.99 27.71 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.433 1.083 . . . . 63.119999999999997 111.0 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.573 ' O ' HG23 ' A' ' 83' ' ' THR . 1.7 t -119.15 109.45 26.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.464 1.102 . . . . 75.209999999999994 109.38 179.888 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . 0.614 HD22 ' ND1' ' A' ' 98' ' ' HIS . 2.3 m-80 71.95 19.46 4.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.106 . . . . 74.420000000000002 109.24 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . 0.517 ' CB ' ' O ' ' A' ' 81' ' ' ASN . 3.9 m-20 82.78 23.42 0.17 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.411 1.069 . . . . 75.129999999999995 109.315 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' THR . . . . . 0.573 HG23 ' O ' ' A' ' 80' ' ' VAL . 0.7 OUTLIER -131.09 133.64 45.84 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.62 1.2 . . . . 74.25 110.375 179.987 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.707 HD11 ' HB3' ' A' ' 77' ' ' PHE . 0.2 OUTLIER -92.07 112.1 53.28 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 64.219999999999999 109.354 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 166.75 28.56 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.524 1.802 . . . . 73.140000000000001 111.043 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . 0.919 ' HG2' ' HB2' ' A' ' 89' ' ' ALA . 18.3 Cg_endo -75.04 -167.41 0.42 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.478 1.778 . . . . 70.439999999999998 111.017 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 2.8 p -97.48 -37.96 9.78 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.476 1.11 . . . . 62.409999999999997 110.351 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -82.42 6.77 16.13 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 71.439999999999998 109.307 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . 1.041 ' HB1' HD12 ' A' ' 94' ' ' ILE . . . -76.11 61.65 1.59 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.529 1.143 . . . . 73.430000000000007 109.335 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.589 ' C ' ' O ' ' A' ' 89' ' ' ALA . 0.4 OUTLIER -24.48 122.4 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.521 1.138 . . . . 71.209999999999994 109.239 -179.959 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' MET . . . . . 0.477 ' HB3' ' HE1' ' A' ' 91' ' ' MET . 41.5 mmm -53.55 -17.94 2.47 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.464 1.103 . . . . 71.209999999999994 110.984 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' SER . . . . . 0.543 ' OG ' ' HB1' ' A' ' 53' ' ' ALA . 5.3 t -72.92 -39.31 66.4 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.447 1.092 . . . . 61.219999999999999 109.987 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -85.28 -9.91 57.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 70.439999999999998 109.315 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 1.041 HD12 ' HB1' ' A' ' 89' ' ' ALA . 23.3 mm -83.88 -46.22 18.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.569 1.168 . . . . 61.530000000000001 109.262 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' TYR . . . . . 0.6 ' CE2' ' HD2' ' A' ' 30' ' ' PRO . 14.5 t80 -70.52 -4.24 21.92 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.464 1.102 . . . . 52.140000000000001 111.023 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -100.92 -12.44 18.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 73.329999999999998 110.272 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -118.75 -8.18 10.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.457 1.098 . . . . 70.129999999999995 110.25 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . 0.614 ' ND1' HD22 ' A' ' 81' ' ' ASN . 87.2 m-70 -129.45 18.07 5.87 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 62.030000000000001 109.635 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . 0.511 ' HB3' ' O ' ' A' ' 95' ' ' TYR . 0.0 OUTLIER -54.64 174.0 0.07 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.422 1.077 . . . . 60.420000000000002 109.264 -179.944 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -137.06 166.07 24.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 64.510000000000005 109.26 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 19.1 mtmm -58.85 -46.31 88.03 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.45 1.094 . . . . 74.239999999999995 109.319 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . 0.591 ' HB3' ' CE2' ' A' ' 11' ' ' PHE . 0.4 OUTLIER -70.09 -8.28 48.22 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.495 1.122 . . . . 52.350000000000001 109.322 179.944 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 87.73 -39.68 3.1 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.538 1.149 . . . . 42.140000000000001 110.954 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . 0.755 ' CD1' HD12 ' A' ' 32' ' ' ILE . 2.9 m-85 -65.08 130.04 41.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 0.781 . . . . 73.230000000000004 110.965 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.476 HD12 ' HA ' ' A' ' 105' ' ' LEU . 4.2 tp -71.27 167.7 18.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 74.420000000000002 109.261 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . 0.449 ' OH ' ' NH2' ' A' ' 14' ' ' ARG . 63.6 m-85 -141.91 88.76 2.14 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.59 1.181 . . . . 64.400000000000006 110.979 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . 0.744 HG13 HG23 ' A' ' 78' ' ' ILE . 2.1 t -90.98 163.45 2.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.552 1.158 . . . . 71.319999999999993 109.253 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' THR . . . . . 0.843 HG21 ' HB3' ' A' ' 34' ' ' GLU . 0.2 OUTLIER -152.56 108.59 3.36 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.114 . . . . 74.209999999999994 110.476 180.0 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' TYR . . . . . 0.882 ' CD2' HD12 ' A' ' 76' ' ' ILE . 37.4 p90 -95.07 138.79 32.32 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.132 . . . . 63.539999999999999 110.949 -179.909 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 28.8 t -137.1 154.18 50.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.461 1.101 . . . . 73.5 110.066 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' GLY . . . . . 0.651 ' H ' ' HG ' ' A' ' 39' ' ' SER . . . -81.14 5.13 67.9 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.512 1.132 . . . . 54.340000000000003 110.99 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -116.77 134.91 54.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 0.753 . . . . 65.25 110.326 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . 0.472 ' HB2' ' CE2' ' A' ' 77' ' ' PHE . 21.8 t-20 . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.467 1.105 . . . . 71.129999999999995 109.368 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 629' ' ' ILE . . . . . 0.6 ' C ' HD13 ' B' ' 629' ' ' ILE . 1.2 pp . . . . . 0 N--CA 1.452 -0.335 0 N-CA-C 109.251 -0.648 . . . . 61.409999999999997 109.251 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 630' ' ' ALA . . . . . 1.019 ' C ' HG22 ' A' ' 63' ' ' VAL . . . . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.114 . . . . 73.25 109.342 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.703 ' HG1' ' HA ' ' A' ' 46' ' ' LYS . 61.5 p . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 110.399 -0.222 . . . . 74.439999999999998 110.399 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . 0.573 ' CE2' ' HG2' ' A' ' 48' ' ' LYS . 9.5 t80 -55.26 -17.61 4.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.554 1.159 . . . . 75.109999999999999 111.017 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.46 ' HZ3' ' HB3' ' A' ' 6' ' ' LYS . 0.0 OUTLIER -100.13 -26.71 13.85 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.515 1.134 . . . . 72.109999999999999 109.368 179.956 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -87.12 4.95 40.17 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.365 1.041 . . . . 63.350000000000001 109.973 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . 0.564 ' HB3' ' CD2' ' A' ' 9' ' ' TYR . 1.4 tp10 -87.09 -37.15 17.66 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 75.049999999999997 110.279 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . 0.564 ' CD2' ' HB3' ' A' ' 8' ' ' GLU . 0.4 OUTLIER -143.7 169.09 11.07 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.506 1.129 . . . . 62.130000000000003 110.974 -179.965 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 177.81 8.07 Favored 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.528 1.804 . . . . 44.439999999999998 111.079 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.455 ' CE2' ' HB3' ' A' ' 102' ' ' ASP . 2.0 t80 -62.07 -54.05 46.86 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.604 1.19 . . . . 73.120000000000005 110.991 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.435 ' O ' ' N ' ' A' ' 15' ' ' LYS . 29.3 mp0 -46.81 -55.34 8.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.13 . . . . 72.25 110.277 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.549 ' HZ1' ' HB2' ' A' ' 13' ' ' LYS . 0.1 OUTLIER -45.45 -31.41 1.72 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.396 1.06 . . . . 72.310000000000002 109.315 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.469 ' NH2' ' CZ ' ' A' ' 106' ' ' TYR . 14.8 mtp85 -84.39 -35.02 23.44 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.469 1.106 . . . . 72.400000000000006 110.229 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.435 ' N ' ' O ' ' A' ' 12' ' ' GLU . 9.3 pttt -62.48 -42.57 99.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.135 . . . . 63.020000000000003 109.348 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -68.38 -25.38 65.04 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.402 1.063 . . . . 52.130000000000003 109.315 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.401 ' C ' ' N ' ' A' ' 19' ' ' GLU . 28.0 tp10 -71.79 -68.24 0.47 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.385 1.053 . . . . 64.25 110.306 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 4.4 p -47.48 -24.6 0.86 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 73.400000000000006 110.006 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.401 ' N ' ' C ' ' A' ' 17' ' ' GLU . 6.1 mm-40 -63.28 -42.86 99.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 72.310000000000002 110.28 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 24.5 mtp180 -77.49 -36.11 52.99 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.509 1.13 . . . . 74.030000000000001 110.257 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 19.3 mt -60.62 -18.5 17.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.55 1.156 . . . . 70.129999999999995 109.285 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -74.36 -26.08 59.91 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.559 1.162 . . . . 53.32 109.331 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 63.1 t0 -94.97 -37.07 11.32 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.455 1.097 . . . . 74.040000000000006 109.27 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.535 ' HB3' ' CE2' ' A' ' 25' ' ' PHE . 6.8 mtp180 -68.31 -50.69 51.77 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.564 1.165 . . . . 72.200000000000003 110.312 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.535 ' CE2' ' HB3' ' A' ' 24' ' ' ARG . 3.2 m-85 -140.02 91.26 10.29 Favored Pre-proline 0 C--N 1.324 -0.528 0 O-C-N 124.598 1.186 . . . . 64.319999999999993 111.002 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 -29.61 8.14 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.485 1.782 . . . . 74.200000000000003 111.048 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.602 ' N ' HD21 ' A' ' 27' ' ' ASN . 0.9 OUTLIER -91.14 40.03 1.01 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 72.439999999999998 109.214 -179.959 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.432 ' HD3' ' HA ' ' A' ' 52' ' ' PRO . 12.5 mmt85 -125.25 171.26 10.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 75.129999999999995 110.32 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.544 HD13 ' HA ' ' A' ' 92' ' ' SER . 20.3 mm -138.55 96.73 9.55 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 73.209999999999994 109.276 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.568 ' HD2' ' CE2' ' A' ' 95' ' ' TYR . 18.1 Cg_endo -75.07 121.08 6.33 Favored 'Trans proline' 0 C--N 1.359 1.099 0 O-C-N 124.464 1.77 . . . . 64.019999999999996 110.965 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.531 HG13 HG23 ' A' ' 51' ' ' VAL . 0.9 OUTLIER -132.74 173.92 14.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.584 1.177 . . . . 75.340000000000003 109.251 -179.966 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.619 HG22 ' HB2' ' A' ' 47' ' ' ARG . 6.1 mm -136.1 98.5 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.467 1.105 . . . . 65.239999999999995 109.282 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.835 ' HG ' ' CD1' ' A' ' 64' ' ' ILE . 2.0 t -85.41 122.48 29.63 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.573 1.17 . . . . 43.200000000000003 108.266 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.466 ' HE2' HG22 ' A' ' 44' ' ' ILE . 7.7 tp10 -134.23 159.22 41.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.555 1.159 . . . . 74.129999999999995 110.238 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.567 ' HZ1' ' HB3' ' A' ' 39' ' ' SER . 0.1 OUTLIER -99.59 124.26 44.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.12 . . . . 74.109999999999999 109.293 -179.92 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.415 ' N ' ' HD2' ' A' ' 35' ' ' LYS . . . -55.35 176.78 0.05 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.562 1.163 . . . . 61.539999999999999 109.283 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.455 ' CG ' ' N ' ' A' ' 38' ' ' LYS . 11.9 pt-20 -96.3 -51.07 4.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.626 1.204 . . . . 72.099999999999994 110.31 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.455 ' N ' ' CG ' ' A' ' 37' ' ' GLU . 12.0 mmmt -47.74 -48.48 29.81 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.478 1.111 . . . . 70.129999999999995 109.245 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.567 ' HB3' ' HZ1' ' A' ' 35' ' ' LYS . 0.3 OUTLIER -39.74 158.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 61.219999999999999 110.035 -179.994 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -114.25 2.65 14.87 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.4 1.063 . . . . 65.120000000000005 109.299 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.625 HD12 ' CE2' ' A' ' 109' ' ' TYR . 0.1 OUTLIER -77.27 166.77 41.89 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.547 1.155 . . . . 75.430000000000007 109.293 -179.959 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . 0.439 ' O ' HG21 ' A' ' 68' ' ' ILE . 18.3 Cg_endo -75.06 120.3 5.99 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.52 1.8 . . . . 64.400000000000006 111.004 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -58.39 141.64 50.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.144 . . . . 74.430000000000007 110.23 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.767 HD12 ' OH ' ' A' ' 49' ' ' TYR . 4.6 tt -60.61 173.83 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.132 . . . . 73.530000000000001 109.356 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . 0.4 ' H ' ' CG1' ' A' ' 44' ' ' ILE . 1.2 m-20 -77.77 -35.35 51.72 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.441 1.088 . . . . 74.129999999999995 109.321 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.703 ' HA ' ' HG1' ' A' ' 4' ' ' THR . 0.0 OUTLIER -163.48 169.55 18.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.142 . . . . 72.310000000000002 109.287 179.965 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.619 ' HB2' HG22 ' A' ' 32' ' ' ILE . 3.5 ptm180 -113.94 94.98 5.08 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.44 1.087 . . . . 73.310000000000002 110.308 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.573 ' HG2' ' CE2' ' A' ' 5' ' ' PHE . 15.2 tptp -166.64 108.93 0.71 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.573 1.171 . . . . 65.409999999999997 109.185 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.767 ' OH ' HD12 ' A' ' 44' ' ' ILE . 30.9 m-85 -140.13 121.72 15.22 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.115 . . . . 72.340000000000003 110.927 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.43 HD13 ' HA ' ' A' ' 30' ' ' PRO . 6.8 tp -105.55 77.33 1.27 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.12 . . . . 74.329999999999998 109.34 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.747 HG12 ' HA ' ' B' ' 630' ' ' ALA . 19.7 m -75.33 150.07 84.78 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.573 1.171 . . . . 63.399999999999999 109.308 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . 0.432 ' HA ' ' HD3' ' A' ' 28' ' ' ARG . 18.2 Cg_endo -75.0 -177.6 3.58 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.453 1.765 . . . . 72.439999999999998 110.963 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -94.63 18.8 10.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 72.450000000000003 109.304 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -119.59 -39.0 2.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.545 1.153 . . . . 72.409999999999997 109.31 179.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.849 HD13 ' N ' ' A' ' 56' ' ' THR . 1.2 tm? -52.93 164.52 0.38 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 73.349999999999994 109.316 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.849 ' N ' HD13 ' A' ' 55' ' ' LEU . 0.2 OUTLIER -133.13 179.2 6.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.427 1.079 . . . . 33.539999999999999 110.434 179.973 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 2.8 t -67.33 -59.58 3.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 60.439999999999998 109.279 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -55.28 -16.94 10.3 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.59 1.181 . . . . 73.230000000000004 111.001 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . 0.515 ' HB3' HD22 ' A' ' 55' ' ' LEU . 37.7 mt-30 -99.15 -29.47 12.83 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.58 0.812 . . . . 74.530000000000001 110.363 179.883 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.567 ' CD1' HG11 ' A' ' 51' ' ' VAL . 14.0 t80 -69.57 -38.37 77.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.146 . . . . 73.030000000000001 110.956 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.588 HG23 ' CG1' ' A' ' 78' ' ' ILE . 84.6 t -56.75 -44.31 81.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.529 1.143 . . . . 73.010000000000005 109.302 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.571 ' CD1' ' O ' ' A' ' 62' ' ' TYR . 0.0 OUTLIER -47.33 -26.19 1.2 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.513 1.133 . . . . 74.540000000000006 111.001 180.0 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.969 HG22 ' C ' ' B' ' 630' ' ' ALA . 78.2 t -82.98 -43.28 18.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 65.319999999999993 109.358 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.835 ' CD1' ' HG ' ' A' ' 33' ' ' CYS . 11.6 mm -63.92 -30.37 49.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.444 1.09 . . . . 74.049999999999997 109.363 179.89 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 8.9 tpp85 -80.87 -3.12 50.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.145 . . . . 63.25 110.269 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 2.2 mttm -91.18 -52.34 4.87 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.132 . . . . 71.450000000000003 109.304 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 5.1 mmp_? -47.78 -70.48 0.09 Allowed 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.529 1.143 . . . . 74.150000000000006 110.264 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.49 ' O ' ' CG ' ' A' ' 69' ' ' MET . 4.9 pt -69.92 -7.83 9.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.433 1.083 . . . . 74.209999999999994 109.244 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' MET . . . . . 0.49 ' CG ' ' O ' ' A' ' 68' ' ' ILE . 3.0 ptt? 43.31 40.41 2.55 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.475 1.109 . . . . 64.340000000000003 110.955 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.518 HD12 ' HA ' ' A' ' 70' ' ' LEU . 4.7 tp -50.96 140.73 20.08 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.546 1.154 . . . . 62.43 109.257 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 171.15 18.88 Favored 'Trans proline' 0 C--N 1.362 1.271 0 O-C-N 124.474 1.776 . . . . 75.310000000000002 110.983 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -75.03 0.26 9.14 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.5 1.79 . . . . 73.310000000000002 110.94 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -94.65 8.38 42.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.154 . . . . 75.109999999999999 110.3 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -130.6 -179.19 5.14 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.515 1.134 . . . . 74.239999999999995 109.301 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -140.02 163.08 33.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 54.009999999999998 109.307 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.7 HD12 ' CD2' ' A' ' 109' ' ' TYR . 2.3 tt -150.69 137.12 12.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.427 1.079 . . . . 71.129999999999995 109.276 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 79.9 m-85 -136.79 139.47 41.81 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.435 1.084 . . . . 70.230000000000004 110.95 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.6 ' CG2' ' CG2' ' A' ' 107' ' ' VAL . 5.7 mm -84.62 155.26 3.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.534 1.146 . . . . 70.040000000000006 109.292 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . 0.418 ' CE1' HD12 ' A' ' 84' ' ' LEU . 5.7 m-85 -145.72 128.27 16.06 Favored 'General case' 0 C--N 1.323 -0.569 0 O-C-N 124.58 1.175 . . . . 63.119999999999997 111.065 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.777 ' O ' HG23 ' A' ' 83' ' ' THR . 2.4 t -131.78 105.4 9.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.123 . . . . 75.209999999999994 109.401 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . 0.541 ' ND2' ' CE1' ' A' ' 98' ' ' HIS . 2.7 m-80 72.32 24.22 3.08 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.12 . . . . 74.420000000000002 109.292 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . 0.461 ' CB ' ' O ' ' A' ' 81' ' ' ASN . 4.3 m-20 78.85 18.09 0.92 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 75.129999999999995 109.349 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' THR . . . . . 0.777 HG23 ' O ' ' A' ' 80' ' ' VAL . 1.0 OUTLIER -120.25 143.16 48.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 74.25 110.419 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.418 HD12 ' CE1' ' A' ' 79' ' ' PHE . 0.2 OUTLIER -100.56 108.46 53.41 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.455 1.097 . . . . 64.219999999999999 109.315 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.13 162.25 37.09 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.493 1.786 . . . . 73.140000000000001 110.946 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . 0.737 ' HD2' ' HB2' ' A' ' 89' ' ' ALA . 18.4 Cg_endo -74.95 -163.83 0.2 Allowed 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.483 1.781 . . . . 70.439999999999998 110.996 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 3.7 p -96.7 -31.75 12.53 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.522 1.139 . . . . 62.409999999999997 110.41 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -86.03 10.39 14.35 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.528 1.142 . . . . 71.439999999999998 109.372 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . 1.019 ' HB1' HD12 ' A' ' 94' ' ' ILE . . . -75.89 60.73 1.39 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.528 1.142 . . . . 73.430000000000007 109.238 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.507 ' C ' ' O ' ' A' ' 89' ' ' ALA . 0.4 OUTLIER -31.74 117.37 0.2 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 71.209999999999994 109.308 179.869 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' MET . . . . . 0.425 ' C ' ' O ' ' A' ' 90' ' ' LEU . 55.9 mmm -36.06 -32.02 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.398 1.061 . . . . 71.209999999999994 110.989 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' SER . . . . . 0.544 ' HA ' HD13 ' A' ' 29' ' ' ILE . 6.0 p -62.61 -54.95 31.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 61.219999999999999 110.016 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . 0.438 ' N ' ' O ' ' A' ' 90' ' ' LEU . . . -66.17 -10.95 46.19 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.605 1.191 . . . . 70.439999999999998 109.298 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 1.019 HD12 ' HB1' ' A' ' 89' ' ' ALA . 30.5 mm -90.92 -39.09 11.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 O-C-N 124.505 1.128 . . . . 61.530000000000001 109.323 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' TYR . . . . . 0.74 ' CD2' HD21 ' A' ' 105' ' ' LEU . 9.6 t80 -79.91 -5.99 56.62 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.629 1.205 . . . . 52.140000000000001 111.021 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . 0.436 ' O ' ' CG ' ' A' ' 96' ' ' GLN . 3.3 tp-100 -100.25 -10.53 21.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.14 . . . . 73.329999999999998 110.343 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -120.27 -8.27 9.69 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.469 1.106 . . . . 70.129999999999995 110.319 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . 0.609 ' HB2' HD11 ' A' ' 105' ' ' LEU . 29.0 m-70 -126.36 16.21 7.71 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.563 1.164 . . . . 62.030000000000001 109.639 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . 0.511 ' HB3' ' O ' ' A' ' 95' ' ' TYR . 0.1 OUTLIER -58.37 153.41 15.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.603 1.189 . . . . 60.420000000000002 109.302 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -120.29 177.02 5.18 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.46 1.1 . . . . 64.510000000000005 109.308 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 19.3 mtpt -61.79 -27.74 68.97 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.414 1.071 . . . . 74.239999999999995 109.357 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . 0.455 ' HB3' ' CE2' ' A' ' 11' ' ' PHE . 0.6 OUTLIER -89.67 -14.01 35.73 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 52.350000000000001 109.376 179.971 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . 0.544 ' O ' ' CZ ' ' A' ' 95' ' ' TYR . . . 91.18 -38.33 3.23 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.5 1.125 . . . . 42.140000000000001 111.095 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . 0.519 ' CD1' ' HB2' ' A' ' 30' ' ' PRO . 10.1 m-85 -57.89 135.25 56.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.458 0.74 . . . . 73.230000000000004 110.967 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.74 HD21 ' CD2' ' A' ' 95' ' ' TYR . 0.3 OUTLIER -82.0 145.91 30.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.102 . . . . 74.420000000000002 109.343 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . 0.469 ' CZ ' ' NH2' ' A' ' 14' ' ' ARG . 68.7 m-85 -121.4 92.39 3.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.105 . . . . 64.400000000000006 110.986 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . 0.6 ' CG2' ' CG2' ' A' ' 78' ' ' ILE . 12.8 p -103.56 167.54 2.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.15 . . . . 71.319999999999993 109.351 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' THR . . . . . 0.453 ' N ' HG23 ' A' ' 107' ' ' VAL . 0.2 OUTLIER -150.17 153.74 36.83 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.393 1.058 . . . . 74.209999999999994 110.432 179.964 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' TYR . . . . . 0.7 ' CD2' HD12 ' A' ' 76' ' ' ILE . 32.0 p90 -132.94 136.18 45.97 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.49 1.119 . . . . 63.539999999999999 110.993 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 45.8 t -137.26 153.73 50.28 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.49 1.119 . . . . 73.5 109.986 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' GLY . . . . . 0.493 ' H ' ' HG ' ' A' ' 39' ' ' SER . . . -79.11 3.48 65.68 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.488 1.117 . . . . 54.340000000000003 111.022 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -123.99 131.66 53.59 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.553 0.796 . . . . 65.25 110.349 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 12.1 t-20 . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.572 1.17 . . . . 71.129999999999995 109.467 179.869 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 629' ' ' ILE . . . . . 0.489 ' C ' HD13 ' B' ' 629' ' ' ILE . 0.7 OUTLIER . . . . . 0 N--CA 1.454 -0.264 0 N-CA-C 109.285 -0.635 . . . . 61.409999999999997 109.285 . . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 630' ' ' ALA . . . . . 0.969 ' C ' HG22 ' A' ' 63' ' ' VAL . . . . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.567 1.167 . . . . 73.25 109.384 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.762 HG21 HH21 ' A' ' 47' ' ' ARG . 70.8 p . . . . . 0 N--CA 1.452 -0.35 0 N-CA-C 110.468 -0.197 . . . . 74.439999999999998 110.468 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . 0.621 ' CZ ' ' OH ' ' A' ' 9' ' ' TYR . 1.6 t80 -49.21 -28.65 4.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 75.109999999999999 110.99 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.525 ' HD3' HG21 ' A' ' 32' ' ' ILE . 21.6 mtmm -93.68 -23.59 18.18 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.556 1.16 . . . . 72.109999999999999 109.318 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' SER . . . . . 0.411 ' N ' ' O ' ' A' ' 4' ' ' THR . 0.3 OUTLIER -76.36 -12.56 60.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.142 . . . . 63.350000000000001 109.992 179.984 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . 0.622 ' HB3' ' CD1' ' A' ' 9' ' ' TYR . 0.0 OUTLIER -73.4 -50.47 21.67 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.563 1.164 . . . . 75.049999999999997 110.252 -179.929 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . 0.622 ' CD1' ' HB3' ' A' ' 8' ' ' GLU . 0.2 OUTLIER -125.52 169.52 11.17 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 62.130000000000003 110.951 -179.928 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 175.91 10.6 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.586 1.835 . . . . 44.439999999999998 110.96 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.578 ' CE2' ' HB3' ' A' ' 102' ' ' ASP . 1.7 t80 -63.38 -43.98 96.04 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.526 1.141 . . . . 73.120000000000005 111.025 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 20.2 mt-10 -49.46 -22.64 1.25 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.489 1.118 . . . . 72.25 110.297 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.89 -36.29 36.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 72.310000000000002 109.315 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 1.046 HH21 HD12 ' A' ' 32' ' ' ILE . 0.1 OUTLIER -71.1 -54.77 9.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.144 . . . . 72.400000000000006 110.274 -179.931 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 16.8 pttt -53.4 -42.47 67.01 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.554 1.158 . . . . 63.020000000000003 109.359 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.67 -35.34 77.68 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.538 1.149 . . . . 52.130000000000003 109.322 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.447 ' OE1' ' NH1' ' A' ' 14' ' ' ARG . 26.2 tt0 -68.21 -54.29 18.8 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.46 1.1 . . . . 64.25 110.318 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.431 ' HB3' ' CE2' ' A' ' 104' ' ' PHE . 11.2 p -59.41 -16.11 21.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 73.400000000000006 109.969 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 16.4 mm-40 -79.78 -23.92 41.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.421 1.076 . . . . 72.310000000000002 110.277 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.416 ' HG3' ' N ' ' A' ' 21' ' ' ILE . 11.4 ptt180 -101.75 -23.87 14.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 74.030000000000001 110.288 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.434 HD12 ' OE2' ' A' ' 17' ' ' GLU . 5.5 mt -63.71 -18.04 21.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.555 1.159 . . . . 70.129999999999995 109.327 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -74.89 -15.21 60.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.112 . . . . 53.32 109.319 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -105.79 -24.94 12.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.551 1.157 . . . . 74.040000000000006 109.276 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.533 ' HB3' ' CE2' ' A' ' 25' ' ' PHE . 30.1 mmm-85 -83.6 -52.58 6.34 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.556 1.16 . . . . 72.200000000000003 110.304 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.533 ' CE2' ' HB3' ' A' ' 24' ' ' ARG . 12.0 m-85 -145.34 86.06 7.69 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.149 . . . . 64.319999999999993 111.006 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.86 -26.67 11.0 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.457 1.767 . . . . 74.200000000000003 110.996 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 84.5 m-20 -92.33 41.58 1.08 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.132 . . . . 72.439999999999998 109.288 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.484 ' O ' HD11 ' A' ' 29' ' ' ILE . 1.7 mmt85 -131.22 -178.11 4.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.543 1.152 . . . . 75.129999999999995 110.304 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.486 HG23 ' CB ' ' A' ' 95' ' ' TYR . 21.3 mm -141.81 102.1 5.88 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 73.209999999999994 109.272 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.596 ' HD2' ' CE2' ' A' ' 95' ' ' TYR . 18.3 Cg_endo -75.0 126.3 9.88 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.639 1.863 . . . . 64.019999999999996 110.985 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.895 ' O ' HD11 ' A' ' 32' ' ' ILE . 0.8 OUTLIER -141.42 173.37 8.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.574 1.171 . . . . 75.340000000000003 109.349 179.897 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 1.046 HD12 HH21 ' A' ' 14' ' ' ARG . 4.5 mm -142.16 111.68 2.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.576 1.173 . . . . 65.239999999999995 109.264 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.788 ' HG ' HD13 ' A' ' 64' ' ' ILE . 1.0 OUTLIER -82.44 129.59 34.93 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.534 1.146 . . . . 43.200000000000003 108.227 -179.96 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.76 ' HB3' HG21 ' A' ' 108' ' ' THR . 0.3 OUTLIER -124.82 149.64 47.23 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.485 1.116 . . . . 74.129999999999995 110.309 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.559 ' HZ1' ' H ' ' A' ' 41' ' ' ILE . 7.9 tptt -91.34 124.4 35.51 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.518 1.136 . . . . 74.109999999999999 109.387 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.459 ' CB ' ' HB3' ' A' ' 110' ' ' SER . . . -59.38 169.48 1.21 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.449 1.093 . . . . 61.539999999999999 109.288 -179.907 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.44 ' CG ' ' N ' ' A' ' 38' ' ' LYS . 11.8 pt-20 -96.93 -48.88 5.25 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.435 1.085 . . . . 72.099999999999994 110.39 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.44 ' N ' ' CG ' ' A' ' 37' ' ' GLU . 0.1 OUTLIER -53.16 -46.82 69.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.142 . . . . 70.129999999999995 109.254 179.963 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.88 ' HG ' ' H ' ' A' ' 111' ' ' GLY . 0.3 OUTLIER -59.5 158.98 8.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.575 1.172 . . . . 61.219999999999999 110.019 -179.968 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -122.93 34.29 5.18 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.47 1.106 . . . . 65.120000000000005 109.33 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.619 HD12 ' CE2' ' A' ' 109' ' ' TYR . 0.0 OUTLIER -83.54 167.38 28.94 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.5 1.125 . . . . 75.430000000000007 109.273 -179.979 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . 0.605 ' O ' HG21 ' A' ' 68' ' ' ILE . 18.5 Cg_endo -74.95 115.0 4.16 Favored 'Trans proline' 0 C--N 1.358 1.064 0 O-C-N 124.465 1.771 . . . . 64.400000000000006 110.957 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -56.27 140.85 43.48 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.452 1.095 . . . . 74.430000000000007 110.271 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 1.067 ' CD1' ' HH ' ' A' ' 49' ' ' TYR . 12.2 tt -68.36 158.54 5.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 73.530000000000001 109.305 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 32.8 m-20 -61.06 -46.36 91.01 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.54 1.15 . . . . 74.129999999999995 109.293 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.47 ' HA ' ' HG1' ' A' ' 4' ' ' THR . 0.0 OUTLIER -147.83 167.75 23.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 72.310000000000002 109.372 179.911 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.762 HH21 HG21 ' A' ' 4' ' ' THR . 2.7 ptp180 -116.64 93.85 4.37 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.536 1.147 . . . . 73.310000000000002 110.248 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.55 ' HB2' ' CD2' ' A' ' 5' ' ' PHE . 12.8 tptp -166.23 93.48 0.52 Allowed 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.56 1.163 . . . . 65.409999999999997 109.188 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 1.067 ' HH ' ' CD1' ' A' ' 44' ' ' ILE . 20.2 m-85 -116.84 124.31 49.22 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.514 1.134 . . . . 72.340000000000003 110.997 179.904 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -109.4 76.88 1.02 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 74.329999999999998 109.204 -179.909 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.923 HG22 ' SD ' ' A' ' 91' ' ' MET . 5.7 m -76.64 145.49 75.16 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.494 1.121 . . . . 63.399999999999999 109.262 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.9 -177.66 3.6 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.538 1.809 . . . . 72.439999999999998 111.027 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -92.02 18.7 7.59 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.513 1.133 . . . . 72.450000000000003 109.262 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.776 ' O ' HD11 ' A' ' 90' ' ' LEU . 21.9 t0 -118.89 -37.8 3.18 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.461 1.101 . . . . 72.409999999999997 109.29 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 1.011 HD21 ' HB1' ' B' ' 630' ' ' ALA . 0.0 OUTLIER -59.98 132.13 53.0 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.46 1.1 . . . . 73.349999999999994 109.242 -179.949 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.634 ' N ' HD12 ' A' ' 55' ' ' LEU . 9.1 p -92.79 -161.39 0.83 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.152 . . . . 33.539999999999999 110.387 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 2.9 t -86.76 -59.46 2.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 60.439999999999998 109.314 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -59.63 -13.91 26.33 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.478 1.111 . . . . 73.230000000000004 110.964 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . 0.504 ' CB ' ' CD1' ' A' ' 55' ' ' LEU . 31.7 mt-30 -97.07 -27.39 14.61 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.485 0.756 . . . . 74.530000000000001 110.302 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.709 ' CD1' HG11 ' A' ' 51' ' ' VAL . 68.4 t80 -70.18 -41.03 74.28 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.44 1.087 . . . . 73.030000000000001 111.053 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.667 HG13 ' CG2' ' A' ' 76' ' ' ILE . 65.7 t -48.73 -47.23 15.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 O-C-N 124.571 1.17 . . . . 73.010000000000005 109.31 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.509 ' C ' ' CD1' ' A' ' 62' ' ' TYR . 0.1 OUTLIER -44.19 -33.71 1.62 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.531 1.145 . . . . 74.540000000000006 110.923 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.999 HG22 ' C ' ' B' ' 630' ' ' ALA . 88.9 t -73.83 -40.25 53.1 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 O-C-N 124.541 1.15 . . . . 65.319999999999993 109.286 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.788 HD13 ' HG ' ' A' ' 33' ' ' CYS . 14.2 mm -67.31 -31.85 54.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.553 1.158 . . . . 74.049999999999997 109.322 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 5.5 tpp85 -80.43 -3.49 50.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 63.25 110.277 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -89.9 -50.83 5.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.152 . . . . 71.450000000000003 109.31 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . 0.643 ' HG3' HD12 ' A' ' 44' ' ' ILE . 6.9 mmp_? -50.41 -65.68 0.52 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.449 1.093 . . . . 74.150000000000006 110.288 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.605 HG21 ' O ' ' A' ' 42' ' ' PRO . 5.6 pt -75.06 -3.3 4.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 74.209999999999994 109.215 -179.907 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' MET . . . . . 0.492 ' CG ' ' O ' ' A' ' 68' ' ' ILE . 10.6 ptp 43.47 38.41 1.79 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.434 1.083 . . . . 64.340000000000003 111.018 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.563 HD11 ' HZ1' ' A' ' 74' ' ' LYS . 5.1 tp -50.97 140.97 19.63 Favored Pre-proline 0 C--N 1.324 -0.526 0 O-C-N 124.513 1.133 . . . . 62.43 109.265 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.11 169.49 22.46 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.527 1.804 . . . . 75.310000000000002 111.005 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 -0.05 9.48 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.553 1.817 . . . . 73.310000000000002 111.054 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -91.69 -19.39 22.69 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.465 1.103 . . . . 75.109999999999999 110.246 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.563 ' HZ1' HD11 ' A' ' 70' ' ' LEU . 1.2 mttp -99.27 -178.96 4.08 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.627 1.204 . . . . 74.239999999999995 109.316 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -138.44 163.54 31.66 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.146 . . . . 54.009999999999998 109.337 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.667 ' CG2' HG13 ' A' ' 61' ' ' VAL . 1.6 tt -156.84 115.21 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.423 1.077 . . . . 71.129999999999995 109.342 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 77.1 m-85 -114.22 141.81 47.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.541 1.151 . . . . 70.230000000000004 110.991 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.593 ' CG1' HG23 ' A' ' 61' ' ' VAL . 2.5 mm -84.88 156.86 3.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.446 1.091 . . . . 70.040000000000006 109.33 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . 0.402 ' N ' ' O ' ' A' ' 108' ' ' THR . 4.6 m-85 -149.34 128.51 12.81 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.102 . . . . 63.119999999999997 111.044 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.583 ' O ' HG23 ' A' ' 83' ' ' THR . 2.6 t -133.13 119.62 36.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.476 1.11 . . . . 75.209999999999994 109.322 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . 0.483 ' ND2' HG12 ' A' ' 80' ' ' VAL . 2.4 m-80 62.4 20.32 11.77 Favored 'General case' 0 C--N 1.327 -0.408 0 O-C-N 124.503 1.127 . . . . 74.420000000000002 109.324 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . 0.481 ' CB ' ' O ' ' A' ' 81' ' ' ASN . 4.3 t70 80.48 23.18 0.39 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 75.129999999999995 109.245 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' THR . . . . . 0.583 HG23 ' O ' ' A' ' 80' ' ' VAL . 0.7 OUTLIER -130.97 137.23 49.15 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.534 1.146 . . . . 74.25 110.436 179.944 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.493 ' CD1' ' O ' ' A' ' 78' ' ' ILE . 0.2 OUTLIER -91.58 112.42 54.29 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.55 1.157 . . . . 64.219999999999999 109.332 -179.989 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.09 162.6 36.64 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.432 1.754 . . . . 73.140000000000001 110.943 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . 0.748 ' HD2' ' HB2' ' A' ' 89' ' ' ALA . 18.5 Cg_endo -74.9 -176.68 2.98 Favored 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.544 1.813 . . . . 70.439999999999998 111.1 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 2.2 p -84.52 -32.41 23.92 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.464 1.103 . . . . 62.409999999999997 110.381 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -85.02 9.87 13.46 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.47 1.106 . . . . 71.439999999999998 109.322 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . 1.056 ' HB1' HD12 ' A' ' 94' ' ' ILE . . . -76.0 60.66 1.43 Allowed 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.484 1.115 . . . . 73.430000000000007 109.28 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.776 HD11 ' O ' ' A' ' 54' ' ' ASP . 0.0 OUTLIER -30.41 118.66 0.17 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 71.209999999999994 109.306 180.0 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' MET . . . . . 0.923 ' SD ' HG22 ' A' ' 51' ' ' VAL . 0.3 OUTLIER -39.45 -27.95 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 71.209999999999994 110.999 -179.979 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' SER . . . . . 0.449 ' N ' ' O ' ' A' ' 90' ' ' LEU . 2.8 t -67.42 -57.05 7.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 61.219999999999999 110.03 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -62.75 -13.22 30.19 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.54 1.15 . . . . 70.439999999999998 109.302 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 1.056 HD12 ' HB1' ' A' ' 89' ' ' ALA . 34.9 mm -87.61 -42.35 15.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.447 1.092 . . . . 61.530000000000001 109.298 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' TYR . . . . . 0.834 ' CD2' HD21 ' A' ' 105' ' ' LEU . 10.0 t80 -77.41 -5.19 48.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 52.140000000000001 110.959 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . 0.455 ' O ' ' CG ' ' A' ' 96' ' ' GLN . 1.7 tt0 -102.47 -9.94 19.81 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.536 1.148 . . . . 73.329999999999998 110.299 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -120.44 -7.26 9.74 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.557 1.161 . . . . 70.129999999999995 110.382 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . 0.478 ' CE1' ' ND2' ' A' ' 81' ' ' ASN . 28.7 m-70 -128.76 17.56 6.29 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.486 1.116 . . . . 62.030000000000001 109.613 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . 0.488 ' HB3' ' O ' ' A' ' 95' ' ' TYR . 0.1 OUTLIER -59.74 155.77 15.29 Favored 'General case' 0 C--N 1.326 -0.413 0 O-C-N 124.453 1.096 . . . . 60.420000000000002 109.248 -179.946 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -128.53 177.05 7.28 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.409 1.068 . . . . 64.510000000000005 109.29 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 24.1 mtmm -57.16 -49.63 75.37 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 74.239999999999995 109.354 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . 0.638 ' HD2' ' HE2' ' A' ' 106' ' ' TYR . 0.2 OUTLIER -62.34 -14.42 39.44 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.456 1.097 . . . . 52.350000000000001 109.249 179.985 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . 0.403 ' O ' ' CZ ' ' A' ' 95' ' ' TYR . . . 87.25 -39.25 3.11 Favored Glycine 0 CA--C 1.532 1.109 0 O-C-N 124.514 1.134 . . . . 42.140000000000001 110.98 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . 0.677 ' CE1' ' NH2' ' A' ' 14' ' ' ARG . 23.8 m-85 -62.23 145.82 52.54 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.564 0.802 . . . . 73.230000000000004 110.942 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.834 HD21 ' CD2' ' A' ' 95' ' ' TYR . 0.2 OUTLIER -84.62 147.13 27.13 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.407 1.067 . . . . 74.420000000000002 109.271 -179.958 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . 0.638 ' HE2' ' HD2' ' A' ' 102' ' ' ASP . 50.4 m-85 -121.94 91.9 3.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 64.400000000000006 111.015 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . 0.55 ' CG2' ' CG2' ' A' ' 78' ' ' ILE . 8.1 p -98.59 169.72 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.521 1.138 . . . . 71.319999999999993 109.345 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' THR . . . . . 0.76 HG21 ' HB3' ' A' ' 34' ' ' GLU . 0.2 OUTLIER -148.18 134.95 19.98 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.428 1.08 . . . . 74.209999999999994 110.4 -179.905 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' TYR . . . . . 0.619 ' CE2' HD12 ' A' ' 41' ' ' ILE . 27.8 p90 -119.8 129.74 54.59 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.586 1.179 . . . . 63.539999999999999 110.991 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' SER . . . . . 0.459 ' HB3' ' CB ' ' A' ' 36' ' ' ALA . 25.4 p -128.89 142.21 51.03 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.483 1.114 . . . . 73.5 110.024 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' GLY . . . . . 0.88 ' H ' ' HG ' ' A' ' 39' ' ' SER . . . -63.81 -11.6 44.12 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.511 1.132 . . . . 54.340000000000003 110.998 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 20.6 pt-20 -111.54 161.88 15.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 0.766 . . . . 65.25 110.303 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 16.3 t-20 . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.132 . . . . 71.129999999999995 109.292 -179.983 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 629' ' ' ILE . . . . . . . . . . . . . 1.1 pp . . . . . 0 N--CA 1.454 -0.262 0 N-CA-C 109.327 -0.62 . . . . 61.409999999999997 109.327 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 630' ' ' ALA . . . . . 1.011 ' HB1' HD21 ' A' ' 55' ' ' LEU . . . . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 73.25 109.268 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 0' ' ' HIS . . . . . . . . . . . . . 48.3 p-80 . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 109.553 -0.536 . . . . 72.510000000000005 109.553 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.539 ' HE3' ' O ' ' A' ' 3' ' ' SER . 6.2 ptm -70.19 -168.99 0.25 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 71.219999999999999 111.041 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.45 ' HB2' ' HZ3' ' A' ' 2' ' ' LYS . 0.0 OUTLIER -125.92 -54.89 1.5 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 64.099999999999994 109.272 -179.948 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.73 ' HG ' ' CD ' ' A' ' 6' ' ' LYS . 43.9 t -88.2 150.58 23.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.549 1.155 . . . . 61.210000000000001 110.002 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.2 p -129.65 -80.23 0.56 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.493 1.121 . . . . 74.439999999999998 110.455 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.666 ' CE2' ' CD2' ' B' ' 614' ' ' LEU . 8.6 t80 -59.4 -22.85 62.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 75.109999999999999 111.047 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.73 ' CD ' ' HG ' ' A' ' 3' ' ' SER . 8.6 tmtt? -100.63 -11.88 19.66 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 72.109999999999999 109.283 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 16.5 t -88.81 -31.36 18.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.444 1.09 . . . . 63.350000000000001 110.01 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.751 ' HE2' ' H ' ' B' ' 614' ' ' LEU . 51.5 tt0 -45.46 -49.39 13.5 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.444 1.09 . . . . 75.049999999999997 110.342 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.617 ' OH ' ' CE1' ' A' ' 5' ' ' PHE . 0.2 OUTLIER -122.47 168.99 10.45 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.11 . . . . 62.130000000000003 110.971 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -179.52 5.07 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.443 1.76 . . . . 44.439999999999998 110.952 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.502 ' CE2' ' HB3' ' A' ' 102' ' ' ASP . 5.3 t80 -65.14 -54.16 33.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 73.120000000000005 110.987 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -43.96 -26.51 0.28 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.474 1.109 . . . . 72.25 110.266 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.498 ' HZ3' ' HB2' ' A' ' 13' ' ' LYS . 0.0 OUTLIER -70.72 -46.23 63.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 72.310000000000002 109.28 -179.955 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.716 ' NH1' HD12 ' A' ' 32' ' ' ILE . 0.0 OUTLIER -63.0 -56.99 12.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.151 . . . . 72.400000000000006 110.309 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 2.1 pttt -47.83 -39.98 19.97 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.47 1.106 . . . . 63.020000000000003 109.282 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -67.89 -33.9 75.61 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.532 1.145 . . . . 52.130000000000003 109.308 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.554 ' OE1' HG22 ' B' ' 618' ' ' VAL . 19.0 tp10 -67.16 -49.48 64.6 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.12 . . . . 64.25 110.334 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.402 ' HB3' ' CE1' ' A' ' 104' ' ' PHE . 81.1 p -63.38 -23.72 67.53 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.109 . . . . 73.400000000000006 109.998 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -67.99 -22.96 64.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.435 1.085 . . . . 72.310000000000002 110.268 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 37.9 mtp180 -100.94 -36.73 8.93 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.472 1.107 . . . . 74.030000000000001 110.374 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.551 HD13 ' HZ ' ' A' ' 104' ' ' PHE . 7.9 mt -61.04 -17.31 15.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.576 1.172 . . . . 70.129999999999995 109.32 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -79.06 -23.0 44.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 53.32 109.338 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -101.11 -5.52 25.58 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.443 1.09 . . . . 74.040000000000006 109.227 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.566 ' HB3' ' CD2' ' A' ' 25' ' ' PHE . 11.3 mtp180 -101.93 -59.01 1.77 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 72.200000000000003 110.3 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.566 ' CD2' ' HB3' ' A' ' 24' ' ' ARG . 46.7 m-85 -131.98 89.88 37.13 Favored Pre-proline 0 C--N 1.324 -0.527 0 O-C-N 124.506 1.129 . . . . 64.319999999999993 111.014 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -27.59 9.84 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.462 1.769 . . . . 74.200000000000003 111.008 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 92.3 m-20 -93.53 41.27 1.08 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 72.439999999999998 109.311 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.442 ' CG ' ' HB3' ' A' ' 25' ' ' PHE . 1.5 mmt-85 -128.76 169.27 14.72 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.509 1.131 . . . . 75.129999999999995 110.293 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.532 HG23 ' CB ' ' A' ' 95' ' ' TYR . 34.5 mm -134.48 96.48 15.27 Favored Pre-proline 0 C--N 1.324 -0.543 0 O-C-N 124.497 1.123 . . . . 73.209999999999994 109.357 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.596 ' HD2' ' CE2' ' A' ' 95' ' ' TYR . 18.3 Cg_endo -74.96 122.98 7.57 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.485 1.781 . . . . 64.019999999999996 110.968 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.484 HG13 HG23 ' A' ' 51' ' ' VAL . 0.8 OUTLIER -137.36 173.47 13.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.457 1.098 . . . . 75.340000000000003 109.358 179.962 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.716 HD12 ' NH1' ' A' ' 14' ' ' ARG . 7.5 mm -137.28 108.78 6.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.569 1.168 . . . . 65.239999999999995 109.312 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.988 ' HG ' HD13 ' A' ' 64' ' ' ILE . 2.7 t -78.81 133.19 37.07 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.561 1.163 . . . . 43.200000000000003 108.262 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.931 ' HB3' HG21 ' A' ' 108' ' ' THR . 4.9 tm-20 -138.23 161.46 36.82 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 74.129999999999995 110.37 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.72 ' HZ1' ' HA ' ' A' ' 43' ' ' GLU . 0.0 OUTLIER -115.96 127.75 55.21 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.436 1.085 . . . . 74.109999999999999 109.276 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.402 ' N ' ' HD2' ' A' ' 35' ' ' LYS . . . -59.58 156.11 14.12 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.558 1.161 . . . . 61.539999999999999 109.376 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.423 ' CG ' ' N ' ' A' ' 38' ' ' LYS . 12.6 pt-20 -77.38 -48.56 16.97 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.134 . . . . 72.099999999999994 110.312 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.423 ' N ' ' CG ' ' A' ' 37' ' ' GLU . 33.1 mttp -53.11 -40.18 63.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 70.129999999999995 109.312 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.4 ' O ' ' O ' ' A' ' 38' ' ' LYS . 6.5 t -41.18 161.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 61.219999999999999 109.992 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 71.5 m-20 -118.24 -4.74 10.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 65.120000000000005 109.311 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.547 HD12 ' CE2' ' A' ' 109' ' ' TYR . 0.1 OUTLIER -75.39 166.84 42.04 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.517 1.136 . . . . 75.430000000000007 109.23 -179.928 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 131.08 13.81 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.553 1.817 . . . . 64.400000000000006 111.032 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.72 ' HA ' ' HZ1' ' A' ' 35' ' ' LYS . 30.8 tt0 -69.45 146.98 51.55 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.516 1.135 . . . . 74.430000000000007 110.313 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 1.043 ' CD1' ' HH ' ' A' ' 49' ' ' TYR . 14.2 tt -64.4 171.54 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.577 1.173 . . . . 73.530000000000001 109.31 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -79.1 -41.12 29.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.537 1.148 . . . . 74.129999999999995 109.262 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.422 ' C ' ' CD ' ' A' ' 46' ' ' LYS . 0.0 OUTLIER -153.71 159.51 42.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 72.310000000000002 109.313 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.562 ' HB3' HG22 ' A' ' 32' ' ' ILE . 7.0 mtp180 -105.13 95.56 5.93 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.453 1.095 . . . . 73.310000000000002 110.289 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.679 ' HZ2' HD12 ' A' ' 50' ' ' LEU . 2.1 tptt -165.44 105.92 0.75 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.116 . . . . 65.409999999999997 109.274 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 1.043 ' HH ' ' CD1' ' A' ' 44' ' ' ILE . 15.4 m-85 -135.18 116.93 15.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 72.340000000000003 110.963 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.679 HD12 ' HZ2' ' A' ' 48' ' ' LYS . 0.3 OUTLIER -104.08 77.88 1.47 Allowed 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.503 1.127 . . . . 74.329999999999998 109.296 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.676 HG11 ' HD1' ' A' ' 60' ' ' PHE . 14.0 m -77.8 150.7 78.92 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.591 1.182 . . . . 63.399999999999999 109.312 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.01 -179.46 5.01 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.492 1.785 . . . . 72.439999999999998 111.02 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -93.77 17.9 11.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.146 . . . . 72.450000000000003 109.392 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -118.81 -38.19 3.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.545 1.153 . . . . 72.409999999999997 109.276 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.421 ' HG ' ' CB ' ' A' ' 59' ' ' GLN . 1.1 tp -58.38 135.79 57.29 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.484 1.115 . . . . 73.349999999999994 109.297 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.519 HG21 HE21 ' A' ' 59' ' ' GLN . 1.2 p -93.75 -173.45 3.16 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.144 . . . . 33.539999999999999 110.347 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 2.4 t -72.69 -49.83 38.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.527 1.142 . . . . 60.439999999999998 109.29 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -65.25 -9.61 43.25 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.502 1.126 . . . . 73.230000000000004 111.001 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . 0.519 HE21 HG21 ' A' ' 56' ' ' THR . 7.8 mt-30 -95.94 -26.55 15.54 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.458 0.74 . . . . 74.530000000000001 110.317 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.676 ' HD1' HG11 ' A' ' 51' ' ' VAL . 77.1 t80 -71.42 -50.22 34.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 73.030000000000001 111.002 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.743 HG23 ' CG1' ' A' ' 78' ' ' ILE . 59.7 t -40.57 -49.82 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 73.010000000000005 109.303 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.704 ' HH ' ' HE3' ' A' ' 66' ' ' LYS . 0.5 OUTLIER -44.2 -44.12 7.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 74.540000000000006 111.042 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.774 HG22 ' HA ' ' B' ' 630' ' ' ALA . 57.1 t -61.76 -36.63 74.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.13 . . . . 65.319999999999993 109.298 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.988 HD13 ' HG ' ' A' ' 33' ' ' CYS . 2.5 mm -71.61 -40.12 70.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.41 1.068 . . . . 74.049999999999997 109.301 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 5.5 tpp85 -70.59 -5.36 28.65 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.503 1.127 . . . . 63.25 110.339 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.704 ' HE3' ' HH ' ' A' ' 62' ' ' TYR . 3.0 mttm -90.81 -48.97 6.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 71.450000000000003 109.332 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.444 ' HA ' ' NE ' ' A' ' 67' ' ' ARG . 6.6 mmp_? -54.44 -65.16 0.62 Allowed 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.546 1.154 . . . . 74.150000000000006 110.237 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.494 ' O ' ' CG ' ' A' ' 69' ' ' MET . 6.5 pt -74.08 -4.09 5.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 74.209999999999994 109.312 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' MET . . . . . 0.494 ' CG ' ' O ' ' A' ' 68' ' ' ILE . 8.7 ptp 43.32 39.24 2.0 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 64.340000000000003 110.952 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.503 HD12 ' HA ' ' A' ' 70' ' ' LEU . 5.6 tp -54.11 140.62 52.41 Favored Pre-proline 0 C--N 1.324 -0.527 0 O-C-N 124.523 1.139 . . . . 62.43 109.3 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 167.02 27.9 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.521 1.801 . . . . 75.310000000000002 111.002 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.91 0.7 8.54 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.474 1.776 . . . . 73.310000000000002 111.04 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -96.2 -1.19 48.79 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.476 1.11 . . . . 75.109999999999999 110.246 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -112.48 179.78 3.89 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.127 . . . . 74.239999999999995 109.35 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -134.51 154.62 51.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 54.009999999999998 109.303 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.683 HD12 ' CD2' ' A' ' 109' ' ' TYR . 1.1 tt -152.44 117.71 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.104 . . . . 71.129999999999995 109.283 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 63.9 m-85 -116.74 141.41 48.24 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 70.230000000000004 111.011 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.743 ' CG1' HG23 ' A' ' 61' ' ' VAL . 3.0 mm -85.04 157.22 3.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 70.040000000000006 109.266 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . 0.5 ' CZ ' ' O ' ' A' ' 114' ' ' THR . 5.0 m-85 -151.21 123.62 8.37 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.443 1.089 . . . . 63.119999999999997 110.953 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.755 ' O ' HG23 ' A' ' 83' ' ' THR . 2.0 t -126.57 105.95 14.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.445 1.091 . . . . 75.209999999999994 109.295 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . 0.54 ' ND2' ' CE1' ' A' ' 98' ' ' HIS . 3.1 m-80 71.36 21.6 4.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.453 1.095 . . . . 74.420000000000002 109.29 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . 0.496 ' CB ' ' O ' ' A' ' 81' ' ' ASN . 9.0 t0 81.92 21.88 0.29 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.562 1.164 . . . . 75.129999999999995 109.293 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' THR . . . . . 0.755 HG23 ' O ' ' A' ' 80' ' ' VAL . 1.1 t -124.58 141.31 52.19 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.456 1.098 . . . . 74.25 110.392 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.448 ' CD1' ' O ' ' A' ' 78' ' ' ILE . 0.2 OUTLIER -101.32 107.91 52.78 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.482 1.113 . . . . 64.219999999999999 109.27 -179.934 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 163.38 35.35 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.497 1.788 . . . . 73.140000000000001 110.992 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . 0.808 ' HG2' ' HB2' ' A' ' 89' ' ' ALA . 18.4 Cg_endo -74.98 -168.21 0.49 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.486 1.782 . . . . 70.439999999999998 111.044 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 2.6 p -96.43 -35.22 11.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 62.409999999999997 110.402 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -83.82 6.95 19.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 71.439999999999998 109.282 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 1.026 ' HB1' HD12 ' A' ' 94' ' ' ILE . . . -76.34 60.77 1.58 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.533 1.146 . . . . 73.430000000000007 109.233 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.601 ' C ' ' O ' ' A' ' 89' ' ' ALA . 0.4 OUTLIER -23.86 123.31 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.45 1.094 . . . . 71.209999999999994 109.235 179.923 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' MET . . . . . 0.469 ' HE1' ' HB3' ' A' ' 91' ' ' MET . 40.8 mmm -51.62 -20.22 1.9 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.521 1.138 . . . . 71.209999999999994 110.931 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 6.6 t -69.81 -45.63 67.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 61.219999999999999 110.048 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -78.25 -8.46 58.38 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.119 . . . . 70.439999999999998 109.35 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 1.026 HD12 ' HB1' ' A' ' 89' ' ' ALA . 21.9 mm -87.03 -48.4 15.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 61.530000000000001 109.304 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . 0.8 ' CD2' HD21 ' A' ' 105' ' ' LEU . 4.1 t80 -70.52 -6.19 34.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 52.140000000000001 111.035 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . 0.415 ' O ' ' CG ' ' A' ' 96' ' ' GLN . 27.2 tp60 -95.86 -12.74 24.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.441 1.088 . . . . 73.329999999999998 110.298 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -121.78 -6.14 9.1 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.467 1.105 . . . . 70.129999999999995 110.312 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . 0.692 ' HB2' HD11 ' A' ' 105' ' ' LEU . 14.3 m-70 -121.29 14.44 11.26 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.542 1.151 . . . . 62.030000000000001 109.584 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.531 ' HB3' ' O ' ' A' ' 95' ' ' TYR . 0.0 OUTLIER -70.61 157.04 38.64 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.469 1.105 . . . . 60.420000000000002 109.278 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . 0.448 ' O ' ' N ' ' A' ' 103' ' ' GLY . 0.4 OUTLIER -130.88 173.61 10.79 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.494 1.121 . . . . 64.510000000000005 109.257 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 43.6 mtmt -48.64 -41.1 30.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 74.239999999999995 109.283 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . 0.502 ' HB3' ' CE2' ' A' ' 11' ' ' PHE . 0.3 OUTLIER -63.5 -32.25 73.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.452 1.095 . . . . 52.350000000000001 109.314 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 100' ' ' ASP . . . 101.56 -39.44 2.75 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.504 1.128 . . . . 42.140000000000001 111.031 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . 0.654 ' CE2' ' NH2' ' A' ' 14' ' ' ARG . 21.2 m-85 -68.09 145.56 54.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 0.767 . . . . 73.230000000000004 111.002 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.8 HD21 ' CD2' ' A' ' 95' ' ' TYR . 0.2 OUTLIER -80.28 162.47 24.57 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.402 1.064 . . . . 74.420000000000002 109.256 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 31.0 m-85 -140.98 88.64 2.19 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 64.400000000000006 110.99 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . 0.538 ' CG2' ' CG2' ' A' ' 78' ' ' ILE . 9.9 p -94.05 169.06 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.514 1.134 . . . . 71.319999999999993 109.274 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' THR . . . . . 0.931 HG21 ' HB3' ' A' ' 34' ' ' GLU . 0.2 OUTLIER -153.88 130.78 10.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 74.209999999999994 110.422 -179.952 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' TYR . . . . . 0.683 ' CD2' HD12 ' A' ' 76' ' ' ILE . 45.3 p90 -114.42 143.66 44.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.594 1.184 . . . . 63.539999999999999 110.972 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 18.8 t -146.79 141.93 27.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 73.5 110.018 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -64.33 -10.43 41.92 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.528 1.142 . . . . 54.340000000000003 110.991 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -110.92 130.92 55.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.413 0.714 . . . . 65.25 110.284 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . 0.4 ' CG ' ' O ' ' A' ' 113' ' ' ASN . 46.1 t-20 -93.96 42.23 1.09 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.544 1.153 . . . . 71.129999999999995 109.279 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' THR . . . . . 0.5 ' O ' ' CZ ' ' A' ' 79' ' ' PHE . 3.5 m -102.66 178.12 4.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.418 1.073 . . . . 73.219999999999999 110.414 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . 0.495 ' H ' HG23 ' A' ' 114' ' ' THR . 4.0 p90 -123.01 101.32 7.36 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.592 1.183 . . . . 74.329999999999998 111.013 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.976 0 O-C-N 124.499 1.124 . . . . 63.520000000000003 110.96 179.964 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 597' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.037 0 N-CA-C 110.973 -0.851 . . . . 75.340000000000003 110.973 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 598' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 138.42 22.98 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.484 1.781 . . . . 62.549999999999997 111.03 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 599' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -141.72 167.41 22.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.567 1.167 . . . . 61.329999999999998 109.587 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 600' ' ' MET . . . . . 0.487 ' SD ' ' CD1' ' B' ' 607' ' ' ILE . 21.6 mmm -78.38 167.15 21.76 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.509 1.131 . . . . 71.310000000000002 111.008 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 601' ' ' ILE . . . . . 0.597 HG22 ' N ' ' B' ' 602' ' ' SER . 5.3 mp -108.49 -104.24 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.153 . . . . 72.439999999999998 109.314 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 602' ' ' SER . . . . . 0.597 ' N ' HG22 ' B' ' 601' ' ' ILE . 30.5 t -129.39 167.21 18.12 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 55.439999999999998 110.007 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 603' ' ' GLY . . . . . . . . . . . . . . . 78.03 177.2 47.35 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.508 1.13 . . . . 71.310000000000002 111.004 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 604' ' ' LEU . . . . . . . . . . . . . 1.2 pt? -127.92 129.61 47.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 0.767 . . . . 63.329999999999998 109.307 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 605' ' ' SER . . . . . . . . . . . . . 2.4 p -179.35 172.77 1.16 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.492 1.12 . . . . 73.049999999999997 110.032 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 606' ' ' VAL . . . . . 0.484 HG23 ' H ' ' B' ' 607' ' ' ILE . 9.4 p -50.55 169.91 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.489 1.118 . . . . 74.109999999999999 109.271 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 607' ' ' ILE . . . . . 0.487 ' CD1' ' SD ' ' B' ' 600' ' ' MET . 5.9 mm -125.9 150.14 31.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.562 1.164 . . . . 71.450000000000003 109.357 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 608' ' ' LYS . . . . . . . . . . . . . 43.6 mtmt -119.6 135.29 54.86 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.494 1.121 . . . . 71.519999999999996 109.29 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 609' ' ' GLN . . . . . 0.415 ' CD ' ' N ' ' B' ' 609' ' ' GLN . 11.3 mp0 -128.53 163.11 25.69 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.457 1.098 . . . . 75.510000000000005 110.307 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 610' ' ' GLU . . . . . 0.878 ' O ' HG13 ' B' ' 611' ' ' VAL . 8.8 pt-20 -107.95 -172.06 1.99 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 74.310000000000002 110.326 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 611' ' ' VAL . . . . . 0.878 HG13 ' O ' ' B' ' 610' ' ' GLU . 0.0 OUTLIER -172.76 152.97 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 74.530000000000001 109.243 -179.966 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 612' ' ' GLU . . . . . 0.428 ' HG3' ' CG ' ' B' ' 613' ' ' ARG . 9.1 pt-20 -112.48 -43.43 3.5 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.468 1.105 . . . . 72.219999999999999 110.347 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 613' ' ' ARG . . . . . 0.428 ' CG ' ' HG3' ' B' ' 612' ' ' GLU . 1.6 ptt180 -143.82 -45.51 0.27 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 71.310000000000002 110.303 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 614' ' ' LEU . . . . . 0.751 ' H ' ' HE2' ' A' ' 8' ' ' GLU . 7.1 mp -75.8 -172.18 1.84 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.48 1.113 . . . . 75.010000000000005 109.28 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 615' ' ' GLY . . . . . . . . . . . . . . . 130.04 -42.99 1.34 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.497 1.123 . . . . 55.229999999999997 110.993 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 616' ' ' ASN . . . . . 0.403 ' O ' ' O ' ' B' ' 619' ' ' PHE . 55.5 t30 -78.15 107.82 11.01 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 0.769 . . . . 73.319999999999993 109.287 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 617' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 53.99 31.72 14.07 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 64.209999999999994 109.341 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 618' ' ' VAL . . . . . 0.554 HG22 ' OE1' ' A' ' 17' ' ' GLU . 7.2 t 45.84 33.17 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.441 1.088 . . . . 73.239999999999995 109.279 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 619' ' ' PHE . . . . . 0.57 ' CD1' ' HB3' ' B' ' 624' ' ' ASP . 15.5 m-85 -172.33 130.59 0.59 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 72.230000000000004 111.0 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 620' ' ' GLU . . . . . 0.4 ' CD ' ' O ' ' B' ' 620' ' ' GLU . 0.3 OUTLIER -157.2 69.92 0.59 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.459 1.1 . . . . 53.420000000000002 110.292 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 621' ' ' TRP . . . . . 0.513 ' O ' ' C ' ' B' ' 622' ' ' GLU . 0.6 OUTLIER -164.99 -166.3 1.01 Allowed 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 107.907 -1.146 . . . . 73.319999999999993 107.907 -179.939 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 622' ' ' GLU . . . . . 0.513 ' C ' ' O ' ' B' ' 621' ' ' TRP . 15.8 mm-40 -29.76 -75.64 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 64.150000000000006 110.277 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 623' ' ' ASP . . . . . 0.537 ' O ' ' CB ' ' B' ' 626' ' ' SER . 2.9 m-20 175.88 118.4 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 72.319999999999993 109.32 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 624' ' ' ASP . . . . . 0.57 ' HB3' ' CD1' ' B' ' 619' ' ' PHE . 5.2 p-10 -49.74 -40.92 42.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.115 . . . . 63.210000000000001 109.31 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 625' ' ' GLU . . . . . 0.457 ' O ' ' C ' ' B' ' 626' ' ' SER . 4.5 pt-20 -70.09 -25.08 63.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 75.099999999999994 110.342 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 626' ' ' SER . . . . . 0.537 ' CB ' ' O ' ' B' ' 623' ' ' ASP . 22.5 t -34.21 135.2 0.16 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.145 . . . . 72.439999999999998 109.988 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 627' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -62.27 -12.92 23.28 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.556 1.16 . . . . 61.450000000000003 109.285 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 628' ' ' GLU . . . . . 0.518 ' O ' HG13 ' A' ' 63' ' ' VAL . 10.4 pt-20 -54.66 -22.85 14.93 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 70.040000000000006 110.333 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 629' ' ' ILE . . . . . 0.544 ' C ' HD13 ' B' ' 629' ' ' ILE . 1.3 pp -110.31 31.19 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.449 1.093 . . . . 61.409999999999997 109.262 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 630' ' ' ALA . . . . . 0.774 ' HA ' HG22 ' A' ' 63' ' ' VAL . . . . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 73.25 109.288 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 0' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.258 0 N-CA-C 109.541 -0.541 . . . . 72.510000000000005 109.541 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.438 ' HB3' ' HE1' ' A' ' 1' ' ' MET . 2.0 mtm -104.96 -169.63 1.64 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.489 1.118 . . . . 71.219999999999999 111.05 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.448 ' O ' ' CG ' ' A' ' 34' ' ' GLU . 1.8 ptmt -120.33 -42.65 2.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.539 1.149 . . . . 64.099999999999994 109.294 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.45 ' O ' ' CB ' ' A' ' 7' ' ' SER . 42.2 m -114.05 138.19 50.72 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.504 1.127 . . . . 61.210000000000001 109.978 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.777 ' HG1' ' HA ' ' A' ' 46' ' ' LYS . 69.9 p -126.22 -73.66 0.62 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.464 1.103 . . . . 74.439999999999998 110.441 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.628 ' HA ' HH21 ' B' ' 613' ' ' ARG . 56.1 t80 -52.74 -26.33 13.79 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.504 1.127 . . . . 75.109999999999999 111.039 179.895 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.43 ' HE3' ' CE1' ' A' ' 106' ' ' TYR . 29.0 tttm -100.72 -20.6 15.52 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.593 1.183 . . . . 72.109999999999999 109.358 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.45 ' CB ' ' O ' ' A' ' 3' ' ' SER . 39.1 t -83.09 5.12 23.55 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.539 1.149 . . . . 63.350000000000001 110.043 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.693 ' HG2' HD12 ' B' ' 614' ' ' LEU . 5.4 tp10 -90.49 -64.1 1.18 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.642 1.214 . . . . 75.049999999999997 110.292 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.663 ' CZ ' HG13 ' B' ' 618' ' ' VAL . 22.3 p90 -105.84 164.19 15.52 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.613 1.196 . . . . 62.130000000000003 111.012 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 171.16 18.86 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.486 1.782 . . . . 44.439999999999998 110.989 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.594 ' CE2' ' HB3' ' A' ' 102' ' ' ASP . 2.3 t80 -58.5 -34.88 71.43 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.585 1.178 . . . . 73.120000000000005 110.983 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -62.72 -12.32 23.1 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.517 1.136 . . . . 72.25 110.25 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.557 ' HB3' ' CD2' ' A' ' 9' ' ' TYR . 0.0 OUTLIER -93.75 -15.01 25.62 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.486 1.116 . . . . 72.310000000000002 109.388 179.983 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.594 ' NH2' ' CE2' ' A' ' 5' ' ' PHE . 3.9 ttm105 -97.32 -39.59 9.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 72.400000000000006 110.322 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 27.6 pttt -64.57 -38.8 92.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 63.020000000000003 109.26 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -77.81 -14.94 59.42 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.499 1.124 . . . . 52.130000000000003 109.236 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.766 ' OE1' HG11 ' B' ' 618' ' ' VAL . 77.3 tt0 -75.43 -48.5 22.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 64.25 110.311 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.456 ' OG ' ' CD1' ' A' ' 104' ' ' PHE . 0.3 OUTLIER -69.1 -9.92 55.08 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.408 1.067 . . . . 73.400000000000006 110.109 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 -73.03 -25.86 61.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 72.310000000000002 110.243 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.41 ' HG3' ' N ' ' A' ' 21' ' ' ILE . 3.7 ptp180 -100.57 -32.54 10.72 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.532 1.145 . . . . 74.030000000000001 110.253 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.41 ' N ' ' HG3' ' A' ' 20' ' ' ARG . 4.8 mt -66.83 -17.53 22.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 70.129999999999995 109.32 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -76.61 -17.63 59.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 53.32 109.213 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -105.66 -16.82 14.59 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 74.040000000000006 109.315 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 2.8 mmm180 -95.34 -60.73 1.61 Allowed 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.463 1.102 . . . . 72.200000000000003 110.328 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.422 ' HB3' ' CG ' ' A' ' 28' ' ' ARG . 4.0 m-85 -122.11 80.74 43.65 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.561 1.163 . . . . 64.319999999999993 111.024 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 -32.05 5.82 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.427 1.751 . . . . 74.200000000000003 111.024 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 12.5 m-20 -91.28 39.07 0.99 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.436 1.085 . . . . 72.439999999999998 109.315 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.517 ' NH1' HD21 ' A' ' 50' ' ' LEU . 9.1 mmt85 -127.45 174.91 8.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 75.129999999999995 110.377 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.439 HG23 ' CB ' ' A' ' 95' ' ' TYR . 30.5 mm -137.11 99.39 9.97 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.127 . . . . 73.209999999999994 109.262 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.603 ' HD2' ' CE2' ' A' ' 95' ' ' TYR . 18.2 Cg_endo -75.06 118.9 5.41 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.425 1.75 . . . . 64.019999999999996 110.973 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.712 ' O ' HD11 ' A' ' 32' ' ' ILE . 1.4 m -134.11 172.15 16.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.466 1.104 . . . . 75.340000000000003 109.266 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.712 HD11 ' O ' ' A' ' 31' ' ' VAL . 5.0 mm -140.97 107.52 2.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.559 1.162 . . . . 65.239999999999995 109.278 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -92.44 136.36 33.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.545 1.153 . . . . 43.200000000000003 108.264 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.884 ' CB ' HH21 ' A' ' 47' ' ' ARG . 8.4 tm-20 -140.27 153.3 46.45 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.568 1.167 . . . . 74.129999999999995 110.302 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.569 ' HZ3' ' HA ' ' A' ' 37' ' ' GLU . 0.0 OUTLIER -82.89 128.03 34.05 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.58 1.175 . . . . 74.109999999999999 109.327 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.568 ' HB3' ' HB2' ' A' ' 110' ' ' SER . . . -76.87 112.08 13.09 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.467 1.105 . . . . 61.539999999999999 109.258 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.569 ' HA ' ' HZ3' ' A' ' 35' ' ' LYS . 14.1 pt-20 -42.6 -48.37 5.4 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.505 1.128 . . . . 72.099999999999994 110.299 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.47 ' N ' ' CG ' ' A' ' 37' ' ' GLU . 0.0 OUTLIER -42.38 -43.85 3.72 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.522 1.138 . . . . 70.129999999999995 109.332 179.938 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.761 ' HG ' ' H ' ' A' ' 111' ' ' GLY . 0.2 OUTLIER -62.21 166.36 4.96 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.559 1.162 . . . . 61.219999999999999 109.98 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 10.0 t0 -120.14 27.21 8.77 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.476 1.11 . . . . 65.120000000000005 109.274 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.617 HD12 ' CE2' ' A' ' 109' ' ' TYR . 0.1 OUTLIER -92.21 171.28 7.89 Favored Pre-proline 0 C--N 1.323 -0.572 0 O-C-N 124.606 1.191 . . . . 75.430000000000007 109.349 179.912 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . 0.424 ' O ' HG21 ' A' ' 68' ' ' ILE . 18.2 Cg_endo -75.01 123.08 7.61 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.586 1.835 . . . . 64.400000000000006 110.976 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -60.71 152.93 25.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 74.430000000000007 110.273 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 1.016 ' CD1' ' HH ' ' A' ' 49' ' ' TYR . 10.7 tt -83.16 161.62 3.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 73.530000000000001 109.238 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . 0.549 ' HD2' ' NE ' ' A' ' 67' ' ' ARG . 1.0 OUTLIER -62.77 -49.91 73.12 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.425 1.078 . . . . 74.129999999999995 109.264 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.777 ' HA ' ' HG1' ' A' ' 4' ' ' THR . 0.0 OUTLIER -149.38 164.97 33.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 72.310000000000002 109.267 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.884 HH21 ' CB ' ' A' ' 34' ' ' GLU . 0.9 OUTLIER -109.45 95.33 5.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.105 . . . . 73.310000000000002 110.341 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.781 ' HZ2' ' HB2' ' A' ' 50' ' ' LEU . 8.6 tptp -165.93 108.48 0.77 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.447 1.092 . . . . 65.409999999999997 109.335 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 1.016 ' HH ' ' CD1' ' A' ' 44' ' ' ILE . 43.9 m-85 -135.27 124.99 25.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.117 . . . . 72.340000000000003 110.962 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.781 ' HB2' ' HZ2' ' A' ' 48' ' ' LYS . 0.4 OUTLIER -111.61 78.05 1.09 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 74.329999999999998 109.317 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.909 HG22 ' SD ' ' A' ' 91' ' ' MET . 28.4 m -77.51 150.13 79.14 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.114 . . . . 63.399999999999999 109.29 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . 0.454 ' HD3' ' HB1' ' B' ' 630' ' ' ALA . 18.2 Cg_endo -75.04 -178.09 3.93 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.484 1.781 . . . . 72.439999999999998 110.98 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -93.44 18.48 9.73 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.545 1.153 . . . . 72.450000000000003 109.272 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 18.8 m-20 -121.09 -38.86 2.76 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 72.409999999999997 109.255 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.426 ' HG ' ' CB ' ' A' ' 59' ' ' GLN . 0.9 OUTLIER -56.25 129.09 38.83 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.527 1.142 . . . . 73.349999999999994 109.296 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 1.043 HG23 ' CD2' ' A' ' 90' ' ' LEU . 5.0 p -90.65 177.0 6.46 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.457 1.098 . . . . 33.539999999999999 110.38 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.436 ' O ' HG21 ' A' ' 61' ' ' VAL . 2.8 t -64.9 -43.27 96.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 60.439999999999998 109.268 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -70.73 -7.86 62.44 Favored Glycine 0 CA--C 1.528 0.897 0 O-C-N 124.422 1.077 . . . . 73.230000000000004 111.038 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . 0.426 ' CB ' ' HG ' ' A' ' 55' ' ' LEU . 8.7 mt-30 -99.26 -23.88 15.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.449 0.735 . . . . 74.530000000000001 110.226 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.738 ' CD1' HG11 ' A' ' 51' ' ' VAL . 16.0 t80 -77.41 -53.35 7.76 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.518 1.136 . . . . 73.030000000000001 110.936 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.666 HG23 ' CG1' ' A' ' 78' ' ' ILE . 50.8 t -39.24 -36.13 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.423 1.077 . . . . 73.010000000000005 109.315 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.547 ' CG ' ' N ' ' A' ' 63' ' ' VAL . 0.4 OUTLIER -58.25 -66.4 0.49 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.531 1.144 . . . . 74.540000000000006 111.016 -179.972 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.738 HG11 ' C ' ' B' ' 629' ' ' ILE . 77.0 t -44.01 -32.86 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.45 1.094 . . . . 65.319999999999993 109.234 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.706 HD11 ' CE2' ' A' ' 49' ' ' TYR . 28.7 mm -69.28 -65.3 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.403 1.064 . . . . 74.049999999999997 109.35 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.457 ' O ' ' N ' ' A' ' 69' ' ' MET . 4.2 tpp85 -44.86 -25.83 0.34 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.458 1.099 . . . . 63.25 110.284 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.461 ' HD3' ' CD1' ' A' ' 62' ' ' TYR . 0.0 OUTLIER -71.79 -44.95 63.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 71.450000000000003 109.237 -179.936 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.549 ' NE ' ' HD2' ' A' ' 45' ' ' ASP . 0.2 OUTLIER -57.92 -39.76 78.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 74.150000000000006 110.305 -179.984 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.681 HD12 ' CD1' ' A' ' 76' ' ' ILE . 3.3 pt -101.32 6.6 9.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.523 1.14 . . . . 74.209999999999994 109.336 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' MET . . . . . 0.457 ' N ' ' O ' ' A' ' 65' ' ' ARG . 0.0 OUTLIER 33.89 36.15 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.565 1.166 . . . . 64.340000000000003 110.95 -179.976 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.5 HD12 ' HA ' ' A' ' 70' ' ' LEU . 5.4 tp -50.74 140.54 19.43 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 62.43 109.303 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 167.7 26.44 Favored 'Trans proline' 0 C--N 1.359 1.102 0 O-C-N 124.555 1.818 . . . . 75.310000000000002 110.963 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 0.62 8.7 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.527 1.803 . . . . 73.310000000000002 110.966 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -97.58 5.24 49.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.413 1.071 . . . . 75.109999999999999 110.252 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -124.26 -179.02 4.28 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.514 1.134 . . . . 74.239999999999995 109.299 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -140.18 171.96 13.42 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.524 1.14 . . . . 54.009999999999998 109.296 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.723 HD12 ' CD2' ' A' ' 109' ' ' TYR . 1.4 tt -163.12 114.32 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 71.129999999999995 109.324 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . 0.66 ' HB3' HD22 ' A' ' 84' ' ' LEU . 66.6 m-85 -110.58 137.46 48.24 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.48 1.112 . . . . 70.230000000000004 111.067 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.666 ' CG1' HG23 ' A' ' 61' ' ' VAL . 7.5 mm -84.59 132.41 31.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.108 . . . . 70.040000000000006 109.315 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -123.39 123.7 41.27 Favored 'General case' 0 C--N 1.323 -0.563 0 O-C-N 124.53 1.144 . . . . 63.119999999999997 111.062 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.773 ' O ' HG23 ' A' ' 83' ' ' THR . 2.2 t -126.97 107.19 16.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.533 1.145 . . . . 75.209999999999994 109.265 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . 0.599 ' ND2' ' CE1' ' A' ' 98' ' ' HIS . 1.9 m-80 68.91 21.07 7.69 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.413 1.071 . . . . 74.420000000000002 109.325 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . 0.497 ' CB ' ' O ' ' A' ' 81' ' ' ASN . 1.8 m-20 82.04 24.08 0.22 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.125 . . . . 75.129999999999995 109.278 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' THR . . . . . 0.773 HG23 ' O ' ' A' ' 80' ' ' VAL . 1.2 t -127.09 142.63 51.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.43 1.081 . . . . 74.25 110.408 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.66 HD22 ' HB3' ' A' ' 77' ' ' PHE . 2.0 mt -101.38 108.15 53.97 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 64.219999999999999 109.278 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -74.91 155.74 43.38 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.514 1.797 . . . . 73.140000000000001 110.944 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . 0.729 ' HD2' ' HB2' ' A' ' 89' ' ' ALA . 18.6 Cg_endo -74.96 177.68 8.25 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.477 1.777 . . . . 70.439999999999998 110.966 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 8.6 p -78.89 -32.77 45.97 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.561 1.163 . . . . 62.409999999999997 110.32 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -80.53 3.47 21.56 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.562 1.164 . . . . 71.439999999999998 109.32 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 1.073 ' HB1' HD12 ' A' ' 94' ' ' ILE . . . -75.94 60.58 1.39 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 73.430000000000007 109.4 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 1.043 ' CD2' HG23 ' A' ' 56' ' ' THR . 14.7 mt -31.12 120.46 0.22 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.461 1.1 . . . . 71.209999999999994 109.274 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' MET . . . . . 0.909 ' SD ' HG22 ' A' ' 51' ' ' VAL . 0.0 OUTLIER -34.7 -36.82 0.05 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 71.209999999999994 110.969 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' SER . . . . . 0.419 ' N ' ' O ' ' A' ' 90' ' ' LEU . 7.3 t -58.9 -59.18 5.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 61.219999999999999 109.999 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -59.2 -16.05 18.39 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.459 1.099 . . . . 70.439999999999998 109.229 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 1.073 HD12 ' HB1' ' A' ' 89' ' ' ALA . 19.0 mm -86.43 -38.31 12.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.553 1.158 . . . . 61.530000000000001 109.344 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . 0.783 ' CD2' HD21 ' A' ' 105' ' ' LEU . 9.3 t80 -80.42 -6.06 57.48 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 52.140000000000001 110.976 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . 0.444 ' O ' ' CG ' ' A' ' 96' ' ' GLN . 1.5 tt0 -101.67 -10.38 20.06 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.47 1.106 . . . . 73.329999999999998 110.308 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -119.31 -8.17 10.13 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.135 . . . . 70.129999999999995 110.307 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . 0.599 ' CE1' ' ND2' ' A' ' 81' ' ' ASN . 35.4 m-70 -127.7 16.83 6.93 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.101 . . . . 62.030000000000001 109.653 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.475 ' HB3' ' O ' ' A' ' 95' ' ' TYR . 0.0 OUTLIER -57.74 157.66 7.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.099 . . . . 60.420000000000002 109.34 179.938 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -128.56 173.08 10.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 64.510000000000005 109.352 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 13.1 mtpt -58.65 -38.9 79.14 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.447 1.092 . . . . 74.239999999999995 109.279 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . 0.836 ' CG ' ' HH ' ' A' ' 106' ' ' TYR . 0.4 OUTLIER -71.65 -12.36 61.3 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 52.350000000000001 109.343 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . 0.478 ' O ' ' CZ ' ' A' ' 95' ' ' TYR . . . 88.06 -39.49 3.11 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.562 1.164 . . . . 42.140000000000001 110.927 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . 0.553 ' CD1' ' HG2' ' A' ' 14' ' ' ARG . 15.5 m-85 -60.83 156.31 17.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.569 0.805 . . . . 73.230000000000004 110.926 -179.881 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.783 HD21 ' CD2' ' A' ' 95' ' ' TYR . 0.2 OUTLIER -96.64 146.94 24.39 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.454 1.096 . . . . 74.420000000000002 109.238 -179.944 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . 0.836 ' HH ' ' CG ' ' A' ' 102' ' ' ASP . 78.9 m-85 -124.7 96.43 4.89 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.474 1.109 . . . . 64.400000000000006 110.944 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . 0.705 HG21 HG23 ' A' ' 80' ' ' VAL . 11.2 p -108.86 171.55 2.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.517 1.135 . . . . 71.319999999999993 109.284 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' THR . . . . . 0.538 ' H ' HG23 ' A' ' 107' ' ' VAL . 0.6 OUTLIER -153.21 163.62 39.56 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.533 1.145 . . . . 74.209999999999994 110.468 179.912 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' TYR . . . . . 0.723 ' CD2' HD12 ' A' ' 76' ' ' ILE . 23.6 p90 -141.21 138.37 33.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 63.539999999999999 110.967 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' SER . . . . . 0.568 ' HB2' ' HB3' ' A' ' 36' ' ' ALA . 38.2 t -138.29 120.48 15.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.546 1.153 . . . . 73.5 110.004 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . 0.761 ' H ' ' HG ' ' A' ' 39' ' ' SER . . . -38.76 -31.59 0.13 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.571 1.169 . . . . 54.340000000000003 111.005 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 -99.68 151.1 21.6 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.468 0.746 . . . . 65.25 110.333 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . 0.546 HD22 HD13 ' A' ' 84' ' ' LEU . 35.8 t-20 -96.74 48.83 1.07 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.447 1.092 . . . . 71.129999999999995 109.313 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' THR . . . . . 0.662 HG23 ' H ' ' A' ' 115' ' ' PHE . 7.0 m -144.71 -174.87 4.45 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.497 1.123 . . . . 73.219999999999999 110.392 -179.91 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . 0.662 ' H ' HG23 ' A' ' 114' ' ' THR . 1.7 p90 -139.65 105.51 5.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.413 1.071 . . . . 74.329999999999998 111.028 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 O-C-N 124.57 1.169 . . . . 63.520000000000003 110.983 -179.946 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 597' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 N-CA-C 111.1 -0.8 . . . . 75.340000000000003 111.1 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 598' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -175.01 2.13 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.505 1.792 . . . . 62.549999999999997 111.006 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 599' ' ' HIS . . . . . . . . . . . . . 47.8 m170 -91.44 167.94 11.9 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.556 1.16 . . . . 61.329999999999998 109.567 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 600' ' ' MET . . . . . . . . . . . . . 1.6 mtt -94.92 124.67 39.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 71.310000000000002 111.01 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 601' ' ' ILE . . . . . . . . . . . . . 27.8 mm -69.6 125.03 26.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.568 1.167 . . . . 72.439999999999998 109.202 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 602' ' ' SER . . . . . . . . . . . . . 12.1 t -141.21 107.68 5.3 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.482 1.114 . . . . 55.439999999999998 110.037 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 603' ' ' GLY . . . . . . . . . . . . . . . 111.44 -138.16 14.78 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.478 1.111 . . . . 71.310000000000002 110.98 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 604' ' ' LEU . . . . . . . . . . . . . 10.1 tt -45.53 118.4 1.76 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 0.78 . . . . 63.329999999999998 109.323 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 605' ' ' SER . . . . . . . . . . . . . 32.3 t -133.13 155.74 48.72 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.551 1.157 . . . . 73.049999999999997 109.984 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 606' ' ' VAL . . . . . 0.503 HG23 ' N ' ' B' ' 607' ' ' ILE . 13.5 p -100.75 169.24 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.631 1.207 . . . . 74.109999999999999 109.308 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 607' ' ' ILE . . . . . 0.503 ' N ' HG23 ' B' ' 606' ' ' VAL . 3.1 mm -59.32 132.43 24.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.551 1.157 . . . . 71.450000000000003 109.35 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 608' ' ' LYS . . . . . . . . . . . . . 20.3 mmtp -139.47 144.0 37.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 71.519999999999996 109.282 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 609' ' ' GLN . . . . . 0.432 HE22 HG22 ' B' ' 607' ' ' ILE . 2.1 mp0 -108.41 170.89 7.74 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.551 1.157 . . . . 75.510000000000005 110.359 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 610' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -106.7 -171.16 1.84 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.109 . . . . 74.310000000000002 110.292 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 611' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -160.3 133.91 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.583 1.177 . . . . 74.530000000000001 109.302 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 612' ' ' GLU . . . . . 0.41 ' CG ' ' N ' ' B' ' 613' ' ' ARG . 10.2 pt-20 -123.39 -53.51 1.8 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.138 . . . . 72.219999999999999 110.299 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 613' ' ' ARG . . . . . 0.628 HH21 ' HA ' ' A' ' 5' ' ' PHE . 5.8 ptt180 -137.18 -43.28 0.56 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 71.310000000000002 110.319 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 614' ' ' LEU . . . . . 0.693 HD12 ' HG2' ' A' ' 8' ' ' GLU . 1.4 pp -113.92 154.89 26.77 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.557 1.161 . . . . 75.010000000000005 109.318 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 615' ' ' GLY . . . . . 0.408 ' O ' ' C ' ' B' ' 616' ' ' ASN . . . -163.02 -67.63 0.02 OUTLIER Glycine 0 CA--C 1.532 1.127 0 O-C-N 124.58 1.175 . . . . 55.229999999999997 110.985 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 616' ' ' ASN . . . . . 0.408 ' C ' ' O ' ' B' ' 615' ' ' GLY . 5.9 p30 -39.85 -35.0 0.3 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.564 0.803 . . . . 73.319999999999993 109.282 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 617' ' ' ASP . . . . . 0.45 ' N ' ' OE1' ' B' ' 620' ' ' GLU . 21.0 m-20 -151.76 173.76 14.35 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.5 1.125 . . . . 64.209999999999994 109.316 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 618' ' ' VAL . . . . . 0.766 HG11 ' OE1' ' A' ' 17' ' ' GLU . 1.5 t -79.98 -22.04 11.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.127 . . . . 73.239999999999995 109.29 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 619' ' ' PHE . . . . . 0.478 ' CE2' ' O ' ' B' ' 624' ' ' ASP . 3.2 m-30 -116.86 120.96 40.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 72.230000000000004 111.023 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 620' ' ' GLU . . . . . 0.45 ' OE1' ' N ' ' B' ' 617' ' ' ASP . 12.3 mm-40 -136.24 -72.48 0.45 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.468 1.105 . . . . 53.420000000000002 110.282 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 621' ' ' TRP . . . . . 0.671 ' CD1' ' O ' ' B' ' 622' ' ' GLU . 1.0 OUTLIER -58.08 164.1 2.5 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.497 1.123 . . . . 73.319999999999993 107.994 -179.926 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 622' ' ' GLU . . . . . 0.671 ' O ' ' CD1' ' B' ' 621' ' ' TRP . 1.7 pt-20 -52.24 -172.9 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.145 . . . . 64.150000000000006 110.31 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 623' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 71.97 16.36 5.45 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.503 1.127 . . . . 72.319999999999993 109.205 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 624' ' ' ASP . . . . . 0.478 ' O ' ' CE2' ' B' ' 619' ' ' PHE . 14.9 t70 -41.93 -63.48 0.73 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 63.210000000000001 109.391 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 625' ' ' GLU . . . . . 0.412 ' O ' ' C ' ' B' ' 626' ' ' SER . 0.5 OUTLIER -127.44 2.92 6.26 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.475 1.109 . . . . 75.099999999999994 110.351 179.908 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 626' ' ' SER . . . . . 0.412 ' C ' ' O ' ' B' ' 625' ' ' GLU . 59.8 m -38.55 144.47 0.11 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.457 1.098 . . . . 72.439999999999998 109.968 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 627' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -80.19 2.05 25.86 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.491 1.12 . . . . 61.450000000000003 109.328 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 628' ' ' GLU . . . . . 0.698 ' O ' HG13 ' A' ' 63' ' ' VAL . 9.0 pt-20 -63.65 -12.16 31.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 70.040000000000006 110.428 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 629' ' ' ILE . . . . . 0.738 ' C ' HG11 ' A' ' 63' ' ' VAL . 1.3 pp -107.57 14.04 8.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.11 . . . . 61.409999999999997 109.291 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 630' ' ' ALA . . . . . 0.718 ' HA ' HG22 ' A' ' 63' ' ' VAL . . . . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.496 1.122 . . . . 73.25 109.352 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 0' ' ' HIS . . . . . . . . . . . . . 61.1 m80 . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.634 -0.506 . . . . 72.510000000000005 109.634 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 7.0 ptm -55.55 -179.88 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 71.219999999999999 111.078 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 34.9 mttp -134.91 -74.56 0.46 Allowed 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.526 1.142 . . . . 64.099999999999994 109.291 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.2 m -72.91 170.49 14.64 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.452 1.095 . . . . 61.210000000000001 110.005 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.866 HG21 HH21 ' A' ' 47' ' ' ARG . 23.0 p -130.92 -81.73 0.53 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.524 1.14 . . . . 74.439999999999998 110.385 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.606 ' CE1' ' OH ' ' A' ' 9' ' ' TYR . 6.1 t80 -63.68 -33.26 75.23 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.453 1.095 . . . . 75.109999999999999 110.924 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.455 ' NZ ' ' CE1' ' A' ' 106' ' ' TYR . 0.1 OUTLIER -78.68 -37.56 41.44 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.551 1.157 . . . . 72.109999999999999 109.289 -179.976 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 1.9 t -69.84 -23.5 63.3 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.526 1.141 . . . . 63.350000000000001 109.986 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.978 ' HG2' HD12 ' B' ' 614' ' ' LEU . 7.2 tp10 -44.04 -58.14 2.98 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.564 1.165 . . . . 75.049999999999997 110.349 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.606 ' OH ' ' CE1' ' A' ' 5' ' ' PHE . 1.2 p90 -120.19 166.07 16.25 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.601 1.188 . . . . 62.130000000000003 110.999 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.442 ' HA ' ' NH2' ' A' ' 14' ' ' ARG . 18.4 Cg_endo -75.0 171.69 17.84 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.41 1.742 . . . . 44.439999999999998 111.066 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.457 ' O ' ' N ' ' A' ' 14' ' ' ARG . 12.3 t80 -55.83 -55.44 32.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 73.120000000000005 110.976 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -39.42 -29.58 0.05 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 72.25 110.264 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.424 ' N ' ' O ' ' A' ' 11' ' ' PHE . 4.1 tppt? -82.65 -49.29 9.97 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.468 1.105 . . . . 72.310000000000002 109.297 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.457 ' N ' ' O ' ' A' ' 11' ' ' PHE . 11.6 mtt180 -56.44 -27.33 56.43 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.46 1.1 . . . . 72.400000000000006 110.302 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 23.5 pttt -82.79 -44.17 15.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.444 1.09 . . . . 63.020000000000003 109.332 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.65 -30.11 71.13 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.459 1.099 . . . . 52.130000000000003 109.311 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.972 ' HE2' HH21 ' A' ' 20' ' ' ARG . 30.1 tp10 -72.74 -58.91 2.99 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.466 1.104 . . . . 64.25 110.386 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.594 ' OG ' ' CD2' ' A' ' 104' ' ' PHE . 0.9 OUTLIER -56.32 -18.27 10.27 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.484 1.115 . . . . 73.400000000000006 109.998 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -69.91 -33.15 71.81 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.466 1.104 . . . . 72.310000000000002 110.372 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.972 HH21 ' HE2' ' A' ' 17' ' ' GLU . 26.7 mtm180 -89.76 -36.5 15.12 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.486 1.116 . . . . 74.030000000000001 110.347 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 13.0 mt -58.05 -21.84 17.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 70.129999999999995 109.29 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -74.65 -27.19 60.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 53.32 109.346 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -91.25 -19.78 22.64 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.123 . . . . 74.040000000000006 109.315 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.602 ' O ' ' CD1' ' A' ' 25' ' ' PHE . 5.6 mtp85 -90.39 -31.82 16.7 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.456 1.097 . . . . 72.200000000000003 110.277 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.602 ' CD1' ' O ' ' A' ' 24' ' ' ARG . 5.8 m-85 -153.19 86.45 4.07 Favored Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.433 1.083 . . . . 64.319999999999993 111.074 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -16.39 20.17 Favored 'Trans proline' 0 C--N 1.361 1.215 0 O-C-N 124.481 1.779 . . . . 74.200000000000003 110.977 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.1 p30 -109.91 49.85 0.82 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 72.439999999999998 109.356 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.738 ' HB3' HD11 ' A' ' 50' ' ' LEU . 5.0 mmt-85 -134.63 -178.17 4.94 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 75.129999999999995 110.358 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.616 HG23 ' CB ' ' A' ' 95' ' ' TYR . 37.1 mm -145.27 97.4 4.76 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 73.209999999999994 109.255 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.587 ' HD2' ' CE2' ' A' ' 95' ' ' TYR . 18.2 Cg_endo -74.95 124.21 8.48 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.522 1.801 . . . . 64.019999999999996 110.963 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.508 HG23 ' O ' ' A' ' 49' ' ' TYR . 0.7 OUTLIER -134.17 173.34 14.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.435 1.085 . . . . 75.340000000000003 109.279 179.963 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.455 HD11 ' O ' ' A' ' 31' ' ' VAL . 6.4 mm -137.88 103.6 2.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.547 1.154 . . . . 65.239999999999995 109.305 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.587 ' HG ' ' CD1' ' A' ' 64' ' ' ILE . 0.5 OUTLIER -75.56 129.05 36.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.445 1.091 . . . . 43.200000000000003 108.271 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.672 ' HB3' HG21 ' A' ' 108' ' ' THR . 5.7 tm-20 -121.26 163.82 17.97 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.544 1.152 . . . . 74.129999999999995 110.198 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.552 ' HG2' ' CE1' ' A' ' 109' ' ' TYR . 0.0 OUTLIER -121.09 112.53 18.81 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.451 1.095 . . . . 74.109999999999999 109.269 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -51.32 166.43 0.11 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.555 1.16 . . . . 61.539999999999999 109.332 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.408 ' CG ' ' N ' ' A' ' 38' ' ' LYS . 14.9 pt-20 -92.36 -48.39 6.69 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.582 1.176 . . . . 72.099999999999994 110.259 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.408 ' N ' ' CG ' ' A' ' 37' ' ' GLU . 53.6 mttm -56.49 -23.16 37.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 70.129999999999995 109.339 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.501 ' HG ' ' HD3' ' A' ' 35' ' ' LYS . 1.2 t -57.5 155.87 8.89 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.505 1.128 . . . . 61.219999999999999 109.961 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -115.58 13.83 16.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.133 . . . . 65.120000000000005 109.323 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.604 HD12 ' CE1' ' A' ' 109' ' ' TYR . 0.1 OUTLIER -90.92 163.5 29.44 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.501 1.125 . . . . 75.430000000000007 109.327 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . 0.501 ' O ' HG21 ' A' ' 68' ' ' ILE . 18.4 Cg_endo -74.91 130.71 13.63 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.589 1.836 . . . . 64.400000000000006 111.068 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -62.76 146.63 52.01 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 74.430000000000007 110.336 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 1.126 HD12 ' HH ' ' A' ' 49' ' ' TYR . 5.4 tt -72.54 172.68 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.545 1.153 . . . . 73.530000000000001 109.286 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . 0.446 ' O ' ' NH1' ' B' ' 613' ' ' ARG . 5.7 m-20 -74.68 -45.75 42.39 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.448 1.092 . . . . 74.129999999999995 109.373 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.569 ' HE3' ' CZ2' ' B' ' 621' ' ' TRP . 0.0 OUTLIER -153.08 161.83 42.04 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.471 1.107 . . . . 72.310000000000002 109.311 179.956 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.866 HH21 HG21 ' A' ' 4' ' ' THR . 12.8 mtt-85 -108.42 94.79 5.25 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.435 1.084 . . . . 73.310000000000002 110.265 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.758 ' HZ2' ' HB2' ' A' ' 50' ' ' LEU . 3.0 tptt -167.31 108.72 0.63 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 65.409999999999997 109.362 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 1.126 ' HH ' HD12 ' A' ' 44' ' ' ILE . 53.5 m-85 -140.94 113.47 8.13 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.448 1.092 . . . . 72.340000000000003 111.03 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.758 ' HB2' ' HZ2' ' A' ' 48' ' ' LYS . 35.4 tp -100.62 78.15 1.96 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.344 1.028 . . . . 74.329999999999998 109.315 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.587 HG22 ' HE3' ' A' ' 91' ' ' MET . 16.4 m -72.79 153.17 91.32 Favored Pre-proline 0 C--N 1.324 -0.531 0 O-C-N 124.472 1.107 . . . . 63.399999999999999 109.262 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 178.48 7.19 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.49 1.784 . . . . 72.439999999999998 111.005 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.52 ' HB1' ' HB2' ' A' ' 92' ' ' SER . . . -90.71 18.66 6.17 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.497 1.123 . . . . 72.450000000000003 109.3 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.444 ' N ' ' OD1' ' A' ' 54' ' ' ASP . 0.0 OUTLIER -120.65 -38.84 2.81 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.521 1.138 . . . . 72.409999999999997 109.253 -179.922 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.857 HD13 ' HB1' ' B' ' 630' ' ' ALA . 0.5 OUTLIER -59.55 132.87 55.3 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.517 1.135 . . . . 73.349999999999994 109.249 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.588 HG23 ' CD1' ' A' ' 90' ' ' LEU . 3.0 p -91.93 -173.45 3.49 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.473 1.108 . . . . 33.539999999999999 110.31 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 2.8 t -74.41 -42.37 49.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 60.439999999999998 109.271 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -73.5 -5.74 68.76 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.505 1.128 . . . . 73.230000000000004 111.045 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . 0.424 ' CB ' ' HG ' ' A' ' 55' ' ' LEU . 4.5 mm100 -98.18 -24.43 15.28 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.552 0.795 . . . . 74.530000000000001 110.265 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 1.037 ' CE1' HD12 ' A' ' 64' ' ' ILE . 1.6 t80 -79.23 -40.26 31.09 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.516 1.135 . . . . 73.030000000000001 111.031 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.784 HG13 ' CG2' ' A' ' 76' ' ' ILE . 88.3 t -53.66 -31.53 19.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 73.010000000000005 109.325 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.584 ' CE1' ' HD2' ' A' ' 66' ' ' LYS . 0.1 OUTLIER -59.11 -30.85 68.42 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.515 1.134 . . . . 74.540000000000006 111.057 179.942 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.538 HG22 ' C ' ' B' ' 630' ' ' ALA . 18.1 t -84.0 -46.06 18.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.13 . . . . 65.319999999999993 109.306 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 1.037 HD12 ' CE1' ' A' ' 60' ' ' PHE . 15.0 mm -60.61 -30.4 46.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 74.049999999999997 109.237 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 7.4 tpp85 -83.62 -3.44 57.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.397 1.061 . . . . 63.25 110.331 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.584 ' HD2' ' CE1' ' A' ' 62' ' ' TYR . 6.3 mttp -93.38 -49.1 6.1 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.522 1.138 . . . . 71.450000000000003 109.327 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 2.5 mmp_? -49.86 -66.14 0.44 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.541 1.151 . . . . 74.150000000000006 110.359 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.512 ' O ' ' CG ' ' A' ' 69' ' ' MET . 5.9 pt -73.68 -4.46 5.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.151 . . . . 74.209999999999994 109.231 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' MET . . . . . 0.512 ' CG ' ' O ' ' A' ' 68' ' ' ILE . 2.7 ptt? 42.97 44.05 3.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 64.340000000000003 110.935 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.45 HD13 HD13 ' A' ' 68' ' ' ILE . 5.0 tp -50.36 141.03 16.86 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.663 1.227 . . . . 62.43 109.294 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 167.8 26.23 Favored 'Trans proline' 0 C--N 1.361 1.213 0 O-C-N 124.392 1.733 . . . . 75.310000000000002 110.998 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 0.77 8.53 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.525 1.803 . . . . 73.310000000000002 110.996 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -97.99 2.64 49.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.143 . . . . 75.109999999999999 110.292 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -125.19 -178.94 4.37 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.514 1.134 . . . . 74.239999999999995 109.322 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -140.03 174.56 10.39 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.564 1.165 . . . . 54.009999999999998 109.318 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.784 ' CG2' HG13 ' A' ' 61' ' ' VAL . 1.2 tt -159.36 128.41 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.565 1.165 . . . . 71.129999999999995 109.315 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . 0.71 ' HB3' HD11 ' A' ' 84' ' ' LEU . 58.6 m-85 -126.8 133.36 50.82 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.515 1.135 . . . . 70.230000000000004 110.98 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.591 HG23 ' CG2' ' A' ' 107' ' ' VAL . 5.2 mm -85.36 128.21 39.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.579 1.174 . . . . 70.040000000000006 109.328 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . 0.593 ' CE2' ' O ' ' A' ' 114' ' ' THR . 4.0 m-85 -118.76 120.21 36.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 63.119999999999997 110.999 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.778 HG23 ' ND2' ' A' ' 81' ' ' ASN . 9.1 p -121.39 106.33 18.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.384 1.052 . . . . 75.209999999999994 109.284 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . 0.778 ' ND2' HG23 ' A' ' 80' ' ' VAL . 7.0 m-80 73.31 34.32 1.02 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 74.420000000000002 109.339 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 67.04 10.98 8.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 75.129999999999995 109.262 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' THR . . . . . 0.514 ' O ' ' CG2' ' A' ' 83' ' ' THR . 0.5 OUTLIER -121.71 110.8 16.39 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 74.25 110.417 -179.958 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.71 HD11 ' HB3' ' A' ' 77' ' ' PHE . 0.5 OUTLIER -73.66 113.91 27.22 Favored Pre-proline 0 C--N 1.326 -0.416 0 O-C-N 124.546 1.154 . . . . 64.219999999999999 109.311 -179.949 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . 0.408 ' HD3' ' O ' ' A' ' 83' ' ' THR . 18.4 Cg_endo -74.97 162.72 36.73 Favored 'Trans proline' 0 C--N 1.361 1.218 0 O-C-N 124.529 1.805 . . . . 73.140000000000001 111.012 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . 0.701 ' HG2' ' HB2' ' A' ' 89' ' ' ALA . 18.5 Cg_endo -75.02 -165.29 0.28 Allowed 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.455 1.766 . . . . 70.439999999999998 110.984 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 2.3 p -97.26 -34.37 11.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.14 . . . . 62.409999999999997 110.378 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -86.05 12.99 8.36 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 71.439999999999998 109.349 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.987 ' HB1' HD12 ' A' ' 94' ' ' ILE . . . -83.04 61.67 6.15 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.511 1.132 . . . . 73.430000000000007 109.214 -179.863 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.595 ' C ' ' O ' ' A' ' 89' ' ' ALA . 0.5 OUTLIER -23.73 117.09 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.59 1.181 . . . . 71.209999999999994 109.32 179.955 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' MET . . . . . 0.587 ' HE3' HG22 ' A' ' 51' ' ' VAL . 46.4 mmm -47.85 -22.93 0.63 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.397 1.061 . . . . 71.209999999999994 110.975 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' SER . . . . . 0.52 ' HB2' ' HB1' ' A' ' 53' ' ' ALA . 0.1 OUTLIER -69.92 -41.81 74.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.128 . . . . 61.219999999999999 110.055 179.913 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -81.7 -7.9 59.64 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.462 1.101 . . . . 70.439999999999998 109.329 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.987 HD12 ' HB1' ' A' ' 89' ' ' ALA . 21.2 mm -87.19 -49.03 15.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.115 . . . . 61.530000000000001 109.238 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . 0.829 ' CD2' HD21 ' A' ' 105' ' ' LEU . 7.8 t80 -69.97 -6.11 30.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 52.140000000000001 111.033 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . 0.451 ' O ' ' CG ' ' A' ' 96' ' ' GLN . 4.5 tp60 -101.64 -9.72 20.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.577 1.173 . . . . 73.329999999999998 110.244 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -118.69 -9.3 10.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 70.129999999999995 110.277 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . 0.456 ' HD2' HG23 ' A' ' 94' ' ' ILE . 39.5 m-70 -128.28 17.54 6.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.445 1.09 . . . . 62.030000000000001 109.51 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.489 ' HB3' ' O ' ' A' ' 95' ' ' TYR . 0.0 OUTLIER -56.38 159.58 3.56 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.484 1.115 . . . . 60.420000000000002 109.298 179.973 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -127.9 173.48 9.97 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 64.510000000000005 109.327 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.459 ' HB3' ' HZ3' ' A' ' 101' ' ' LYS . 0.6 OUTLIER -60.88 -29.73 69.72 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.528 1.142 . . . . 74.239999999999995 109.214 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -86.58 -14.66 42.19 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.434 1.084 . . . . 52.350000000000001 109.297 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . 0.576 ' O ' ' CE2' ' A' ' 95' ' ' TYR . . . 87.71 -39.27 3.11 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.515 1.134 . . . . 42.140000000000001 111.003 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . 0.594 ' CD2' ' OG ' ' A' ' 18' ' ' SER . 9.5 m-85 -60.1 117.52 5.22 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.554 0.796 . . . . 73.230000000000004 111.048 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.829 HD21 ' CD2' ' A' ' 95' ' ' TYR . 0.2 OUTLIER -61.62 160.78 10.84 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.535 1.147 . . . . 74.420000000000002 109.294 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . 0.509 ' O ' HG21 ' A' ' 80' ' ' VAL . 52.4 m-85 -137.72 116.3 12.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.583 1.177 . . . . 64.400000000000006 110.921 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . 0.665 HG21 ' N ' ' A' ' 108' ' ' THR . 1.7 m -122.9 174.58 6.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.545 1.153 . . . . 71.319999999999993 109.342 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' THR . . . . . 0.672 HG21 ' HB3' ' A' ' 34' ' ' GLU . 1.1 m -148.97 106.89 3.69 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.512 1.132 . . . . 74.209999999999994 110.356 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' TYR . . . . . 0.725 ' CD1' HD12 ' A' ' 76' ' ' ILE . 14.8 p90 -94.81 122.42 37.41 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.593 1.183 . . . . 63.539999999999999 111.029 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -136.06 154.22 51.1 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.436 1.085 . . . . 73.5 109.959 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -77.7 2.13 64.77 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.531 1.144 . . . . 54.340000000000003 110.962 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -121.56 135.05 55.03 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.465 0.744 . . . . 65.25 110.321 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 20.4 t-20 -85.9 49.65 1.82 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.462 1.101 . . . . 71.129999999999995 109.302 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' THR . . . . . 0.692 HG23 ' H ' ' A' ' 115' ' ' PHE . 4.3 m -122.23 -171.82 2.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 73.219999999999999 110.396 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . 0.692 ' H ' HG23 ' A' ' 114' ' ' THR . 2.9 p90 -113.45 97.29 6.37 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.411 1.069 . . . . 74.329999999999998 111.029 -179.898 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.928 0 O-C-N 124.419 1.074 . . . . 63.520000000000003 111.016 -179.89 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 597' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.056 0 N-CA-C 110.99 -0.844 . . . . 75.340000000000003 110.99 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 598' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 177.84 8.07 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.527 1.803 . . . . 62.549999999999997 111.02 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 599' ' ' HIS . . . . . 0.403 ' CD2' ' OE1' ' B' ' 610' ' ' GLU . 12.7 t60 -153.3 175.56 12.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 61.329999999999998 109.563 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 600' ' ' MET . . . . . 0.898 ' C ' HD11 ' B' ' 601' ' ' ILE . 0.0 OUTLIER -119.43 159.77 23.61 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.468 1.105 . . . . 71.310000000000002 111.004 179.903 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 601' ' ' ILE . . . . . 0.898 HD11 ' C ' ' B' ' 600' ' ' MET . 1.9 mm -117.48 155.42 19.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 72.439999999999998 109.323 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 602' ' ' SER . . . . . . . . . . . . . 3.9 m 178.63 149.35 0.22 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.555 1.159 . . . . 55.439999999999998 109.978 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 603' ' ' GLY . . . . . 0.443 ' O ' ' NZ ' ' B' ' 608' ' ' LYS . . . 62.5 137.27 0.01 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.543 1.152 . . . . 71.310000000000002 110.995 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 604' ' ' LEU . . . . . 0.918 HD12 ' HE3' ' B' ' 608' ' ' LYS . 1.9 tp -120.87 87.15 2.7 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.444 0.732 . . . . 63.329999999999998 109.322 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 605' ' ' SER . . . . . . . . . . . . . 80.5 p -112.75 -29.46 7.41 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.462 1.101 . . . . 73.049999999999997 109.986 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 606' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -144.12 -172.07 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.509 1.131 . . . . 74.109999999999999 109.288 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 607' ' ' ILE . . . . . . . . . . . . . 42.7 mm -57.31 155.23 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.424 1.077 . . . . 71.450000000000003 109.317 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 608' ' ' LYS . . . . . 0.918 ' HE3' HD12 ' B' ' 604' ' ' LEU . 0.0 OUTLIER -106.09 115.2 29.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.552 1.158 . . . . 71.519999999999996 109.31 -179.954 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 609' ' ' GLN . . . . . . . . . . . . . 11.9 mt-30 -121.13 -2.26 9.67 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.527 1.142 . . . . 75.510000000000005 110.259 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 610' ' ' GLU . . . . . 0.872 ' HB2' HD13 ' B' ' 601' ' ' ILE . 63.6 mm-40 -70.99 -173.68 0.84 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.471 1.107 . . . . 74.310000000000002 110.347 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 611' ' ' VAL . . . . . 0.537 ' C ' HD12 ' B' ' 601' ' ' ILE . 0.1 OUTLIER -120.5 127.48 75.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.435 1.084 . . . . 74.530000000000001 109.315 179.971 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 612' ' ' GLU . . . . . 0.912 ' H ' ' HE2' ' A' ' 8' ' ' GLU . 1.6 pt-20 -108.03 -56.17 2.27 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.454 1.096 . . . . 72.219999999999999 110.283 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 613' ' ' ARG . . . . . 0.446 ' NH1' ' O ' ' A' ' 45' ' ' ASP . 0.9 OUTLIER -117.89 -9.84 10.55 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 71.310000000000002 110.291 179.969 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 614' ' ' LEU . . . . . 0.978 HD12 ' HG2' ' A' ' 8' ' ' GLU . 0.5 OUTLIER -110.18 -172.5 2.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 75.010000000000005 109.381 179.899 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 615' ' ' GLY . . . . . 0.429 ' HA2' HG11 ' B' ' 611' ' ' VAL . . . -143.76 -164.95 10.61 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.568 1.168 . . . . 55.229999999999997 111.032 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 616' ' ' ASN . . . . . . . . . . . . . 18.7 t30 -40.41 -40.88 1.28 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 0.76 . . . . 73.319999999999993 109.283 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 617' ' ' ASP . . . . . 0.444 ' C ' ' N ' ' B' ' 619' ' ' PHE . 19.5 m-20 -108.61 124.64 50.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.607 1.192 . . . . 64.209999999999994 109.245 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 618' ' ' VAL . . . . . 0.526 HG12 ' CE1' ' A' ' 9' ' ' TYR . 0.2 OUTLIER -40.53 -29.85 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.448 1.093 . . . . 73.239999999999995 109.286 179.932 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 619' ' ' PHE . . . . . 0.444 ' N ' ' C ' ' B' ' 617' ' ' ASP . 12.5 m-30 -102.77 89.83 3.61 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.152 . . . . 72.230000000000004 110.992 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 620' ' ' GLU . . . . . 0.447 ' CD ' ' N ' ' B' ' 621' ' ' TRP . 1.9 pp20? -123.76 -41.72 2.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 53.420000000000002 110.285 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 621' ' ' TRP . . . . . 0.569 ' CZ2' ' HE3' ' A' ' 46' ' ' LYS . 2.2 p90 -66.66 171.67 4.94 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 107.955 -1.128 . . . . 73.319999999999993 107.955 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 622' ' ' GLU . . . . . 0.41 ' O ' ' CG ' ' B' ' 623' ' ' ASP . 13.2 pt-20 -48.15 176.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 64.150000000000006 110.302 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 623' ' ' ASP . . . . . 0.455 ' OD1' ' NE1' ' B' ' 621' ' ' TRP . 4.1 p30 45.7 48.09 11.61 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.625 1.203 . . . . 72.319999999999993 109.307 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 624' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -40.89 -69.86 0.12 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.438 1.086 . . . . 63.210000000000001 109.276 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 625' ' ' GLU . . . . . 0.41 ' O ' ' C ' ' B' ' 626' ' ' SER . 0.4 OUTLIER -121.46 3.64 10.22 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.475 1.11 . . . . 75.099999999999994 110.33 179.956 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 626' ' ' SER . . . . . 0.41 ' C ' ' O ' ' B' ' 625' ' ' GLU . 5.1 p -37.75 147.35 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.474 1.109 . . . . 72.439999999999998 110.09 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 627' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -80.41 2.56 24.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.408 1.068 . . . . 61.450000000000003 109.293 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 628' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -60.79 -19.4 59.36 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.54 1.15 . . . . 70.040000000000006 110.26 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 629' ' ' ILE . . . . . 0.491 ' C ' ' CD1' ' B' ' 629' ' ' ILE . 0.6 OUTLIER -91.99 31.94 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 61.409999999999997 109.255 -179.952 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 630' ' ' ALA . . . . . 0.857 ' HB1' HD13 ' A' ' 55' ' ' LEU . . . . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.484 1.115 . . . . 73.25 109.278 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 0' ' ' HIS . . . . . 0.402 ' H1 ' ' H ' ' A' ' 1' ' ' MET . 3.0 p80 . . . . . 0 N--CA 1.452 -0.344 0 N-CA-C 109.609 -0.515 . . . . 72.510000000000005 109.609 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.402 ' H ' ' H1 ' ' A' ' 0' ' ' HIS . 71.7 mtp -76.85 -177.91 4.6 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.538 1.149 . . . . 71.219999999999999 111.009 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.538 ' HZ1' ' HB3' ' A' ' 37' ' ' GLU . 19.9 mttt -135.62 -49.55 0.71 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.592 1.183 . . . . 64.099999999999994 109.274 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.468 ' OG ' ' CZ ' ' A' ' 47' ' ' ARG . 49.8 m -75.42 136.29 40.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 61.210000000000001 110.071 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.653 ' HG1' ' HA ' ' A' ' 46' ' ' LYS . 6.0 p -127.48 -58.69 1.25 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.536 1.148 . . . . 74.439999999999998 110.413 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.76 ' CZ ' HG12 ' B' ' 618' ' ' VAL . 83.4 t80 -81.66 -15.89 53.1 Favored 'General case' 0 C--N 1.323 -0.577 0 O-C-N 124.572 1.17 . . . . 75.109999999999999 110.989 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.698 ' HB3' HH21 ' A' ' 47' ' ' ARG . 0.1 OUTLIER -101.1 -28.96 12.41 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.597 1.186 . . . . 72.109999999999999 109.32 179.955 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -81.36 4.79 19.49 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.551 1.157 . . . . 63.350000000000001 109.894 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.554 ' HE2' ' HA2' ' B' ' 615' ' ' GLY . 51.5 tt0 -81.86 -58.74 2.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.564 1.165 . . . . 75.049999999999997 110.322 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.614 ' OH ' ' CZ ' ' A' ' 5' ' ' PHE . 1.3 p90 -120.45 165.78 17.32 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.443 1.089 . . . . 62.130000000000003 110.967 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 179.48 6.05 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.49 1.784 . . . . 44.439999999999998 111.027 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.477 ' CE2' ' HB3' ' A' ' 102' ' ' ASP . 2.9 t80 -68.8 -43.73 75.03 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.456 1.097 . . . . 73.120000000000005 110.968 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -58.05 -16.0 11.31 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.425 1.078 . . . . 72.25 110.269 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 6.4 tppt? -95.72 -48.0 5.96 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.594 1.184 . . . . 72.310000000000002 109.365 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.662 ' NH1' ' CE1' ' A' ' 104' ' ' PHE . 0.0 OUTLIER -64.2 -24.44 67.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.455 1.097 . . . . 72.400000000000006 110.326 179.975 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.432 ' N ' ' HG3' ' A' ' 14' ' ' ARG . 53.5 pttt -74.14 -44.31 54.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.587 1.179 . . . . 63.020000000000003 109.358 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -57.28 -22.0 38.59 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.445 1.091 . . . . 52.130000000000003 109.264 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -72.51 -47.59 47.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.096 . . . . 64.25 110.317 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.525 ' HB3' ' CE1' ' A' ' 104' ' ' PHE . 11.3 p -68.03 -11.36 58.81 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.538 1.149 . . . . 73.400000000000006 109.947 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -77.48 -26.09 51.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.564 1.165 . . . . 72.310000000000002 110.298 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 54.4 mtm180 -101.96 -33.68 9.65 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.479 1.112 . . . . 74.030000000000001 110.292 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 6.9 mt -59.82 -22.07 23.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.65 1.219 . . . . 70.129999999999995 109.318 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -77.95 -22.42 49.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 53.32 109.398 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -95.87 -14.15 23.4 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 74.040000000000006 109.341 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.421 ' CZ ' ' CZ ' ' A' ' 25' ' ' PHE . 10.1 mtm180 -97.67 -59.66 1.73 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 72.200000000000003 110.343 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.421 ' CZ ' ' CZ ' ' A' ' 24' ' ' ARG . 3.5 m-85 -126.15 85.3 59.98 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 64.319999999999993 111.045 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -26.81 10.67 Favored 'Trans proline' 0 C--N 1.359 1.102 0 O-C-N 124.528 1.804 . . . . 74.200000000000003 111.002 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 12.0 p30 -92.07 36.06 0.98 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.534 1.146 . . . . 72.439999999999998 109.323 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.571 ' HB3' HD11 ' A' ' 50' ' ' LEU . 4.1 mmt85 -122.54 175.78 6.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 75.129999999999995 110.254 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.661 HG23 ' CB ' ' A' ' 95' ' ' TYR . 28.3 mm -144.51 96.41 5.24 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 73.209999999999994 109.282 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.464 ' HB3' HD13 ' A' ' 50' ' ' LEU . 18.6 Cg_endo -75.05 142.34 27.58 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.463 1.77 . . . . 64.019999999999996 111.029 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.829 HG21 ' HB3' ' A' ' 105' ' ' LEU . 6.3 p -161.58 147.35 4.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.13 . . . . 75.340000000000003 109.304 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.747 HG23 ' O ' ' A' ' 47' ' ' ARG . 16.0 mm -113.12 114.61 47.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.485 1.116 . . . . 65.239999999999995 109.296 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.463 ' SG ' HG23 ' A' ' 107' ' ' VAL . 1.2 t -89.17 143.99 26.44 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 43.200000000000003 108.285 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.975 ' HB3' HG21 ' A' ' 108' ' ' THR . 49.2 tt0 -133.22 154.22 50.85 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.462 1.101 . . . . 74.129999999999995 110.287 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.558 ' HG2' ' CE2' ' A' ' 109' ' ' TYR . 0.0 OUTLIER -99.24 125.43 44.85 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.474 1.109 . . . . 74.109999999999999 109.291 179.979 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.807 ' HB1' ' C ' ' A' ' 116' ' ' GLY . . . -60.73 142.29 56.01 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.541 1.151 . . . . 61.539999999999999 109.293 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.538 ' HB3' ' HZ1' ' A' ' 2' ' ' LYS . 14.8 pt-20 -68.02 -52.64 33.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.462 1.101 . . . . 72.099999999999994 110.258 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.554 ' HZ1' ' HA2' ' A' ' 116' ' ' GLY . 40.1 mttp -55.62 -35.71 66.17 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.546 1.154 . . . . 70.129999999999995 109.276 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.628 ' HB2' ' HB3' ' A' ' 36' ' ' ALA . 8.6 t -39.36 156.23 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.451 1.094 . . . . 61.219999999999999 109.986 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -116.09 10.24 14.96 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.543 1.152 . . . . 65.120000000000005 109.271 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.558 HD12 ' CE2' ' A' ' 109' ' ' TYR . 0.1 OUTLIER -91.28 164.24 25.7 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.447 1.092 . . . . 75.430000000000007 109.376 179.952 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 129.79 12.67 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.484 1.781 . . . . 64.400000000000006 111.002 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -49.24 171.07 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.625 1.203 . . . . 74.430000000000007 110.319 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.745 HG22 ' HH ' ' A' ' 109' ' ' TYR . 3.5 tt -102.77 163.59 3.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.109 . . . . 73.530000000000001 109.301 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . 0.447 ' N ' ' CG1' ' A' ' 44' ' ' ILE . 0.9 OUTLIER -54.77 -59.67 4.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 74.129999999999995 109.377 179.981 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.653 ' HA ' ' HG1' ' A' ' 4' ' ' THR . 0.0 OUTLIER -150.06 178.52 8.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 72.310000000000002 109.321 179.936 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.747 ' O ' HG23 ' A' ' 32' ' ' ILE . 2.7 mtm180 -107.87 93.38 4.51 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.505 1.128 . . . . 73.310000000000002 110.308 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.532 ' HB2' ' CD2' ' A' ' 5' ' ' PHE . 1.1 tptt -168.2 123.62 0.99 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.558 1.161 . . . . 65.409999999999997 109.269 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.696 ' CE2' HD11 ' A' ' 64' ' ' ILE . 33.5 m-85 -149.37 110.57 4.4 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.551 1.157 . . . . 72.340000000000003 111.009 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.571 HD11 ' HB3' ' A' ' 28' ' ' ARG . 12.1 tp -103.0 76.67 1.49 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.148 . . . . 74.329999999999998 109.296 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.937 HG22 ' SD ' ' A' ' 91' ' ' MET . 5.9 m -76.55 153.12 83.6 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.12 . . . . 63.399999999999999 109.287 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -178.39 4.14 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.476 1.777 . . . . 72.439999999999998 110.96 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -92.73 18.02 9.48 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.453 1.096 . . . . 72.450000000000003 109.293 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -119.98 -38.73 2.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.544 1.153 . . . . 72.409999999999997 109.242 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.825 HD21 ' HB1' ' B' ' 630' ' ' ALA . 0.0 OUTLIER -58.29 133.52 55.76 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.448 1.092 . . . . 73.349999999999994 109.324 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.544 ' N ' HD12 ' A' ' 55' ' ' LEU . 0.1 OUTLIER -98.86 -170.72 1.97 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.44 1.088 . . . . 33.539999999999999 110.412 179.959 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 2.8 t -75.4 -62.98 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 60.439999999999998 109.289 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -53.48 -18.51 7.52 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.598 1.186 . . . . 73.230000000000004 111.032 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . 0.53 ' CB ' ' CD1' ' A' ' 55' ' ' LEU . 31.5 mt-30 -97.22 -24.98 15.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.544 0.79 . . . . 74.530000000000001 110.276 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.622 ' CZ ' HD12 ' A' ' 64' ' ' ILE . 34.3 t80 -69.05 -36.86 78.17 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.458 1.099 . . . . 73.030000000000001 111.042 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.745 HG13 ' CG2' ' A' ' 76' ' ' ILE . 94.2 t -56.43 -45.44 81.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 73.010000000000005 109.308 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.592 ' CD1' ' O ' ' A' ' 62' ' ' TYR . 0.1 OUTLIER -45.92 -25.58 0.56 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.551 1.157 . . . . 74.540000000000006 111.025 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.822 HG22 ' C ' ' B' ' 630' ' ' ALA . 54.4 t -86.65 -36.75 10.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 O-C-N 124.594 1.184 . . . . 65.319999999999993 109.215 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.696 HD11 ' CE2' ' A' ' 49' ' ' TYR . 35.4 mm -64.56 -45.7 94.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.561 1.163 . . . . 74.049999999999997 109.306 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.461 ' CD ' ' HB3' ' A' ' 70' ' ' LEU . 6.2 tpp85 -68.07 -8.3 36.73 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.477 1.111 . . . . 63.25 110.237 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.588 ' HD2' ' CE1' ' A' ' 62' ' ' TYR . 9.2 mttp -88.73 -40.2 13.41 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.447 1.092 . . . . 71.450000000000003 109.321 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -59.23 -39.93 84.31 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.552 1.158 . . . . 74.150000000000006 110.323 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.451 HD12 ' CD1' ' A' ' 76' ' ' ILE . 2.8 pt -104.29 3.15 10.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.528 1.143 . . . . 74.209999999999994 109.301 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' MET . . . . . 0.419 ' CG ' ' O ' ' A' ' 68' ' ' ILE . 3.7 ptp 40.71 29.09 0.06 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.445 1.09 . . . . 64.340000000000003 111.001 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.461 ' HB3' ' CD ' ' A' ' 65' ' ' ARG . 5.6 tp -49.29 140.34 12.95 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 62.43 109.32 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' A' ' 70' ' ' LEU . 18.6 Cg_endo -74.89 170.3 20.7 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.463 1.77 . . . . 75.310000000000002 111.101 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 -1.73 11.61 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.441 1.758 . . . . 73.310000000000002 111.046 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -83.95 -0.04 49.83 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.452 1.095 . . . . 75.109999999999999 110.247 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 18.4 mttp -127.41 -178.96 4.66 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.485 1.116 . . . . 74.239999999999995 109.27 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -138.05 163.67 31.02 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.434 1.084 . . . . 54.009999999999998 109.339 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.745 ' CG2' HG13 ' A' ' 61' ' ' VAL . 2.3 tt -154.31 134.47 4.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.432 1.083 . . . . 71.129999999999995 109.316 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . 0.69 ' HB3' HD11 ' A' ' 84' ' ' LEU . 31.3 m-85 -133.68 135.1 43.86 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.584 1.177 . . . . 70.230000000000004 110.939 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.626 ' CG2' HG22 ' A' ' 107' ' ' VAL . 3.6 mm -86.57 121.93 38.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 70.040000000000006 109.211 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . 0.597 ' CE2' ' O ' ' A' ' 114' ' ' THR . 4.9 m-85 -112.88 125.04 53.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 63.119999999999997 110.951 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.476 HG11 ' CD2' ' A' ' 98' ' ' HIS . 2.1 t -120.09 109.47 26.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.496 1.123 . . . . 75.209999999999994 109.327 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . 0.487 ' O ' ' CB ' ' A' ' 82' ' ' ASP . 2.1 m-80 70.44 17.95 6.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.13 . . . . 74.420000000000002 109.301 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . 0.487 ' CB ' ' O ' ' A' ' 81' ' ' ASN . 3.2 m-20 80.66 27.22 0.25 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 75.129999999999995 109.298 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' THR . . . . . 0.487 ' O ' ' CG2' ' A' ' 83' ' ' THR . 0.6 OUTLIER -136.6 113.82 10.69 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.454 1.096 . . . . 74.25 110.335 -179.952 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.69 HD11 ' HB3' ' A' ' 77' ' ' PHE . 0.3 OUTLIER -73.79 113.88 27.18 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.484 1.115 . . . . 64.219999999999999 109.292 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . 0.405 ' HD3' ' O ' ' A' ' 83' ' ' THR . 18.3 Cg_endo -74.98 170.59 20.08 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.505 1.792 . . . . 73.140000000000001 110.977 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . 0.657 ' HD2' ' HB2' ' A' ' 89' ' ' ALA . 18.3 Cg_endo -75.09 -169.32 0.62 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.554 1.818 . . . . 70.439999999999998 110.935 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 3.9 p -93.87 -34.13 13.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.56 1.163 . . . . 62.409999999999997 110.354 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -84.38 8.76 15.13 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.549 1.155 . . . . 71.439999999999998 109.273 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.996 ' HB1' HD12 ' A' ' 94' ' ' ILE . . . -75.72 61.02 1.34 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 73.430000000000007 109.308 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.531 ' C ' ' O ' ' A' ' 89' ' ' ALA . 0.4 OUTLIER -29.69 117.61 0.13 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.589 1.181 . . . . 71.209999999999994 109.321 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' MET . . . . . 0.937 ' SD ' HG22 ' A' ' 51' ' ' VAL . 0.5 OUTLIER -36.62 -31.18 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.54 1.15 . . . . 71.209999999999994 110.962 -179.923 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' SER . . . . . 0.469 ' N ' ' O ' ' A' ' 90' ' ' LEU . 1.5 t -64.69 -56.81 11.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 61.219999999999999 110.033 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . 0.412 ' N ' ' O ' ' A' ' 90' ' ' LEU . . . -60.97 -15.06 27.23 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.52 1.138 . . . . 70.439999999999998 109.275 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.996 HD12 ' HB1' ' A' ' 89' ' ' ALA . 28.0 mm -90.27 -37.75 10.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 61.530000000000001 109.321 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . 0.661 ' CB ' HG23 ' A' ' 29' ' ' ILE . 5.9 t80 -79.07 -4.24 49.23 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 52.140000000000001 111.017 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . 0.459 ' O ' ' CG ' ' A' ' 96' ' ' GLN . 6.8 tp60 -104.41 -9.17 18.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.546 1.154 . . . . 73.329999999999998 110.264 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -120.69 -7.06 9.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.566 1.166 . . . . 70.129999999999995 110.294 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . 0.659 ' HB2' HD11 ' A' ' 105' ' ' LEU . 14.6 m-70 -123.94 11.78 9.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.443 1.089 . . . . 62.030000000000001 109.578 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.512 ' HB3' ' O ' ' A' ' 95' ' ' TYR . 0.1 OUTLIER -64.94 154.87 36.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.146 . . . . 60.420000000000002 109.28 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . 0.438 ' O ' ' N ' ' A' ' 103' ' ' GLY . 1.2 m-20 -120.97 175.46 6.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.449 1.093 . . . . 64.510000000000005 109.342 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 12.9 mtpt -48.59 -38.27 20.28 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.551 1.157 . . . . 74.239999999999995 109.29 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . 0.477 ' HB3' ' CE2' ' A' ' 11' ' ' PHE . 2.0 p30 -76.55 -28.96 56.49 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.491 1.119 . . . . 52.350000000000001 109.279 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . 0.438 ' N ' ' O ' ' A' ' 100' ' ' ASP . . . 104.96 -39.27 2.9 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.475 1.109 . . . . 42.140000000000001 111.011 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . 0.662 ' CE1' ' NH1' ' A' ' 14' ' ' ARG . 9.7 m-85 -55.41 142.49 32.34 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.528 0.781 . . . . 73.230000000000004 110.92 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.829 ' HB3' HG21 ' A' ' 31' ' ' VAL . 0.2 OUTLIER -85.09 161.95 19.48 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.534 1.146 . . . . 74.420000000000002 109.218 -179.969 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . 0.513 ' HH ' ' HD2' ' A' ' 6' ' ' LYS . 57.1 m-85 -145.53 107.26 4.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 64.400000000000006 110.962 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . 0.723 HG21 ' N ' ' A' ' 108' ' ' THR . 1.9 m -117.34 179.55 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.413 1.071 . . . . 71.319999999999993 109.361 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' THR . . . . . 0.975 HG21 ' HB3' ' A' ' 34' ' ' GLU . 0.7 OUTLIER -152.52 112.32 3.96 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 74.209999999999994 110.404 179.965 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' TYR . . . . . 0.745 ' HH ' HG22 ' A' ' 44' ' ' ILE . 25.9 p90 -94.89 132.57 39.57 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.406 1.066 . . . . 63.539999999999999 111.065 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' SER . . . . . 0.522 ' OG ' ' HB2' ' A' ' 36' ' ' ALA . 0.7 OUTLIER -131.9 152.52 50.99 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.414 1.071 . . . . 73.5 110.024 179.956 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . 0.453 ' HA3' ' CG2' ' A' ' 41' ' ' ILE . . . -60.6 -46.18 94.91 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.518 1.136 . . . . 54.340000000000003 110.957 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 24.0 pt-20 -90.13 161.33 15.82 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.517 0.774 . . . . 65.25 110.261 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . 0.491 HD22 HD23 ' A' ' 84' ' ' LEU . 25.9 t-20 -89.06 45.03 1.25 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 71.129999999999995 109.302 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' THR . . . . . 0.686 HG23 ' H ' ' A' ' 115' ' ' PHE . 4.9 m -118.51 -173.38 2.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.551 1.157 . . . . 73.219999999999999 110.452 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . 0.686 ' H ' HG23 ' A' ' 114' ' ' THR . 5.0 p90 -111.03 97.03 6.51 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.421 1.076 . . . . 74.329999999999998 110.982 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . 0.807 ' C ' ' HB1' ' A' ' 36' ' ' ALA . . . . . . . . 0 CA--C 1.53 0.999 0 O-C-N 124.549 1.156 . . . . 63.520000000000003 110.99 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 597' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.937 0 N-CA-C 111.098 -0.801 . . . . 75.340000000000003 111.098 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 598' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 177.3 8.76 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.458 1.767 . . . . 62.549999999999997 110.988 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 599' ' ' HIS . . . . . . . . . . . . . 29.9 m170 -118.76 146.67 44.6 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.111 . . . . 61.329999999999998 109.582 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 600' ' ' MET . . . . . . . . . . . . . 2.2 tpt -129.0 21.85 5.78 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.44 1.087 . . . . 71.310000000000002 111.036 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 601' ' ' ILE . . . . . 0.621 HD13 ' CD ' ' B' ' 610' ' ' GLU . 9.8 mm -61.3 109.75 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.439 1.087 . . . . 72.439999999999998 109.36 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 602' ' ' SER . . . . . . . . . . . . . 41.2 p -176.11 116.78 0.13 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.108 . . . . 55.439999999999998 109.968 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 603' ' ' GLY . . . . . . . . . . . . . . . 133.18 -91.52 0.26 Allowed Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.487 1.117 . . . . 71.310000000000002 110.991 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 604' ' ' LEU . . . . . 0.745 HD22 ' OE1' ' B' ' 609' ' ' GLN . 11.4 tp -40.53 120.17 1.21 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.454 0.738 . . . . 63.329999999999998 109.282 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 605' ' ' SER . . . . . . . . . . . . . 1.4 p -102.26 -23.99 13.94 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.623 1.202 . . . . 73.049999999999997 109.93 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 606' ' ' VAL . . . . . 0.735 HG23 ' H ' ' B' ' 607' ' ' ILE . 2.3 p -65.42 -173.57 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.545 1.153 . . . . 74.109999999999999 109.304 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 607' ' ' ILE . . . . . 0.735 ' H ' HG23 ' B' ' 606' ' ' VAL . 8.1 mm -40.54 132.38 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.427 1.079 . . . . 71.450000000000003 109.293 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 608' ' ' LYS . . . . . . . . . . . . . 11.9 ptpt -61.72 95.47 0.05 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.142 . . . . 71.519999999999996 109.371 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 609' ' ' GLN . . . . . 0.745 ' OE1' HD22 ' B' ' 604' ' ' LEU . 4.7 mp0 -82.99 -1.42 52.55 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 75.510000000000005 110.31 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 610' ' ' GLU . . . . . 0.621 ' CD ' HD13 ' B' ' 601' ' ' ILE . 53.0 mm-40 -46.46 172.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.573 1.171 . . . . 74.310000000000002 110.277 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 611' ' ' VAL . . . . . 0.759 HG21 ' O ' ' B' ' 611' ' ' VAL . 11.9 m -113.24 78.72 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.494 1.121 . . . . 74.530000000000001 109.328 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 612' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -43.78 -57.22 3.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 72.219999999999999 110.292 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 613' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.37 -44.43 0.92 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.481 1.113 . . . . 71.310000000000002 110.294 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 614' ' ' LEU . . . . . 0.552 ' O ' HD12 ' B' ' 614' ' ' LEU . 1.4 pp -122.01 139.15 54.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.125 . . . . 75.010000000000005 109.23 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 615' ' ' GLY . . . . . 0.554 ' HA2' ' HE2' ' A' ' 8' ' ' GLU . . . -173.58 -38.37 0.04 OUTLIER Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.521 1.138 . . . . 55.229999999999997 110.959 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 616' ' ' ASN . . . . . . . . . . . . . 62.2 t30 -58.01 106.16 0.34 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.473 0.749 . . . . 73.319999999999993 109.286 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 617' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 59.9 25.46 14.59 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 64.209999999999994 109.357 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 618' ' ' VAL . . . . . 0.76 HG12 ' CZ ' ' A' ' 5' ' ' PHE . 2.1 t 59.81 17.8 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.547 1.155 . . . . 73.239999999999995 109.308 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 619' ' ' PHE . . . . . 0.496 ' CG ' ' O ' ' B' ' 618' ' ' VAL . 20.0 m-85 -168.11 116.52 0.74 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.1 . . . . 72.230000000000004 111.108 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 620' ' ' GLU . . . . . 0.437 ' CD ' ' N ' ' B' ' 621' ' ' TRP . 1.7 pp20? -129.66 -41.79 1.32 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 53.420000000000002 110.263 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 621' ' ' TRP . . . . . 0.649 ' CZ2' ' NZ ' ' A' ' 46' ' ' LYS . 0.5 OUTLIER -63.51 162.98 11.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 73.319999999999993 108.024 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 622' ' ' GLU . . . . . 0.599 ' O ' ' CD1' ' B' ' 621' ' ' TRP . 1.6 pt-20 -58.78 -174.49 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.415 1.072 . . . . 64.150000000000006 110.26 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 623' ' ' ASP . . . . . 0.401 ' CG ' ' CD ' ' B' ' 628' ' ' GLU . 1.9 m-20 62.12 50.75 3.85 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.42 1.075 . . . . 72.319999999999993 109.236 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 624' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -56.32 -65.8 0.54 Allowed 'General case' 0 C--N 1.323 -0.555 0 O-C-N 124.602 1.189 . . . . 63.210000000000001 109.272 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 625' ' ' GLU . . . . . 0.419 ' O ' ' C ' ' B' ' 626' ' ' SER . 1.1 pt-20 -115.09 4.49 14.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.45 1.094 . . . . 75.099999999999994 110.28 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 626' ' ' SER . . . . . 0.609 ' O ' HD12 ' B' ' 629' ' ' ILE . 11.1 t -37.73 155.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.45 1.094 . . . . 72.439999999999998 109.967 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 627' ' ' ASP . . . . . . . . . . . . . 14.5 p-10 -84.77 8.54 16.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.457 1.098 . . . . 61.450000000000003 109.303 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 628' ' ' GLU . . . . . 0.401 ' CD ' ' CG ' ' B' ' 623' ' ' ASP . 9.7 pt-20 -73.34 -8.88 57.75 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.432 1.083 . . . . 70.040000000000006 110.345 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 629' ' ' ILE . . . . . 0.609 HD12 ' O ' ' B' ' 626' ' ' SER . 1.4 pp -113.01 15.96 8.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.552 1.157 . . . . 61.409999999999997 109.247 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 630' ' ' ALA . . . . . 0.825 ' HB1' HD21 ' A' ' 55' ' ' LEU . . . . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 73.25 109.376 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 0' ' ' HIS . . . . . . . . . . . . . 6.2 p80 . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 109.625 -0.509 . . . . 72.510000000000005 109.625 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 17.5 mmt -88.92 -173.59 4.15 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.484 1.115 . . . . 71.219999999999999 111.056 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 39.2 mttp -135.29 -55.11 0.8 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.561 1.163 . . . . 64.099999999999994 109.322 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.605 ' HG ' ' NH1' ' A' ' 47' ' ' ARG . 49.6 m -65.47 174.45 2.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.559 1.162 . . . . 61.210000000000001 109.99 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.982 ' HG1' ' CB ' ' A' ' 46' ' ' LYS . 63.9 p -137.37 -78.16 0.39 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.486 1.116 . . . . 74.439999999999998 110.357 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.568 ' CD2' ' HD2' ' A' ' 6' ' ' LYS . 25.8 t80 -47.8 -22.4 0.54 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.429 1.081 . . . . 75.109999999999999 110.951 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 1.032 ' HZ3' HG21 ' A' ' 32' ' ' ILE . 2.0 mptm? -93.79 -31.84 14.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.144 . . . . 72.109999999999999 109.283 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.452 ' N ' ' O ' ' A' ' 4' ' ' THR . 27.6 t -80.4 4.29 18.5 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.553 1.158 . . . . 63.350000000000001 110.115 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.48 ' CG ' ' O ' ' B' ' 614' ' ' LEU . 0.0 OUTLIER -85.23 -63.25 1.36 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 75.049999999999997 110.302 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.485 ' HB2' ' CB ' ' A' ' 13' ' ' LYS . 0.1 OUTLIER -127.37 174.21 4.54 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 62.130000000000003 111.041 179.942 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.442 ' O ' ' C ' ' A' ' 11' ' ' PHE . 18.1 Cg_endo -75.1 147.8 34.05 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.508 1.794 . . . . 44.439999999999998 111.002 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.554 ' CE1' ' HB3' ' A' ' 102' ' ' ASP . 0.6 OUTLIER -34.16 -56.05 0.5 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 73.120000000000005 110.961 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.505 ' N ' ' CD2' ' A' ' 11' ' ' PHE . 14.6 mp0 -41.6 -56.99 2.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 72.25 110.292 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.485 ' CB ' ' HB2' ' A' ' 9' ' ' TYR . 0.0 OUTLIER -37.81 -41.16 0.5 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.502 1.126 . . . . 72.310000000000002 109.281 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.732 HH21 ' HE3' ' A' ' 6' ' ' LYS . 11.2 mtp-105 -69.87 -50.64 40.56 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.584 1.177 . . . . 72.400000000000006 110.347 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.426 ' N ' ' O ' ' A' ' 12' ' ' GLU . 14.8 pttt -46.19 -41.38 12.63 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.453 1.096 . . . . 63.020000000000003 109.234 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -67.87 -35.63 78.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.589 1.181 . . . . 52.130000000000003 109.304 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.886 ' CD ' HG22 ' B' ' 618' ' ' VAL . 16.4 tp10 -65.58 -54.52 26.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.361 1.038 . . . . 64.25 110.292 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.7 t -56.89 -23.45 44.78 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 124.58 1.175 . . . . 73.400000000000006 110.002 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 -72.91 -33.33 65.91 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.449 1.093 . . . . 72.310000000000002 110.315 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 43.1 mtm180 -91.33 -24.86 19.67 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.534 1.146 . . . . 74.030000000000001 110.285 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.454 HD13 ' CZ ' ' A' ' 104' ' ' PHE . 11.8 mt -59.02 -22.03 20.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.429 1.081 . . . . 70.129999999999995 109.339 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.429 ' O ' ' HB3' ' A' ' 26' ' ' PRO . . . -78.32 -24.09 46.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 53.32 109.288 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -88.89 -24.86 22.4 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 74.040000000000006 109.303 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.9 mtt180 -96.59 -61.96 1.34 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.425 1.078 . . . . 72.200000000000003 110.292 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.452 ' CZ ' ' HB3' ' B' ' 625' ' ' GLU . 2.9 m-85 -118.16 78.49 13.64 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.494 1.121 . . . . 64.319999999999993 111.035 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.429 ' HB3' ' O ' ' A' ' 22' ' ' ALA . 18.3 Cg_endo -74.98 -36.43 2.57 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.534 1.807 . . . . 74.200000000000003 110.954 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 19.7 m-20 -90.42 40.0 0.99 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.463 1.102 . . . . 72.439999999999998 109.271 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.456 ' O ' HD11 ' A' ' 29' ' ' ILE . 6.4 mmt-85 -129.14 -178.74 4.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.146 . . . . 75.129999999999995 110.319 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.473 HG23 ' CB ' ' A' ' 95' ' ' TYR . 25.8 mm -141.5 99.51 6.35 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.526 1.142 . . . . 73.209999999999994 109.324 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.615 ' HA ' ' CD2' ' A' ' 50' ' ' LEU . 18.3 Cg_endo -74.94 121.42 6.59 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.499 1.789 . . . . 64.019999999999996 111.032 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 1.3 m -135.7 173.04 14.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.125 . . . . 75.340000000000003 109.322 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 1.032 HG21 ' HZ3' ' A' ' 6' ' ' LYS . 7.0 mm -134.63 103.23 4.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.605 1.191 . . . . 65.239999999999995 109.339 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.97 ' HG ' ' CD1' ' A' ' 64' ' ' ILE . 2.1 t -87.23 130.8 34.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.137 . . . . 43.200000000000003 108.274 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.409 ' HG3' ' NE ' ' A' ' 47' ' ' ARG . 6.9 tm-20 -145.34 162.33 37.5 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.369 1.043 . . . . 74.129999999999995 110.344 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.481 ' HZ1' ' H ' ' A' ' 41' ' ' ILE . 0.0 OUTLIER -101.44 133.25 46.36 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.489 1.118 . . . . 74.109999999999999 109.271 -179.968 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.55 177.89 0.26 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.53 1.144 . . . . 61.539999999999999 109.263 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.449 ' CG ' ' N ' ' A' ' 38' ' ' LYS . 16.5 pt-20 -96.51 -50.76 4.61 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.469 1.106 . . . . 72.099999999999994 110.246 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.449 ' N ' ' CG ' ' A' ' 37' ' ' GLU . 53.5 mttm -53.73 -36.5 62.35 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.139 . . . . 70.129999999999995 109.343 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.459 ' CA ' ' HE2' ' A' ' 112' ' ' GLU . 1.1 t -47.49 163.91 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 61.219999999999999 109.996 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 23.8 m-20 -127.8 23.31 6.21 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 65.120000000000005 109.293 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.588 HD12 ' CE2' ' A' ' 109' ' ' TYR . 0.1 OUTLIER -98.91 166.92 12.2 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.558 1.161 . . . . 75.430000000000007 109.347 179.969 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . 0.797 ' O ' HG21 ' A' ' 68' ' ' ILE . 18.2 Cg_endo -75.01 112.43 3.56 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.514 1.797 . . . . 64.400000000000006 110.962 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.438 ' HG3' ' CB ' ' A' ' 35' ' ' LYS . 26.4 tt0 -59.21 163.3 3.86 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.524 1.14 . . . . 74.430000000000007 110.253 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.514 HD12 ' HG3' ' A' ' 67' ' ' ARG . 14.8 tt -83.09 169.66 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.151 . . . . 73.530000000000001 109.326 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . 0.783 ' O ' HG22 ' A' ' 4' ' ' THR . 4.9 m-20 -71.43 -47.69 54.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.415 1.072 . . . . 74.129999999999995 109.265 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.982 ' CB ' ' HG1' ' A' ' 4' ' ' THR . 0.1 OUTLIER -143.36 162.35 35.96 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.146 . . . . 72.310000000000002 109.306 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.605 ' NH1' ' HG ' ' A' ' 3' ' ' SER . 1.4 ptm180 -108.34 94.79 5.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.437 1.085 . . . . 73.310000000000002 110.312 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.665 ' NZ ' ' CE1' ' A' ' 104' ' ' PHE . 0.8 OUTLIER -167.82 122.69 1.0 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.389 1.056 . . . . 65.409999999999997 109.302 179.97 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.614 ' HE2' HG12 ' A' ' 63' ' ' VAL . 32.0 m-85 -146.88 132.0 18.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 72.340000000000003 111.046 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.615 ' CD2' ' HA ' ' A' ' 30' ' ' PRO . 3.3 mt -112.26 77.32 1.03 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 74.329999999999998 109.321 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.684 HG11 ' CD1' ' A' ' 60' ' ' PHE . 20.9 m -78.73 148.34 72.59 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.509 1.13 . . . . 63.399999999999999 109.296 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 177.02 9.12 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.456 1.766 . . . . 72.439999999999998 111.071 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -90.47 18.66 5.96 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.434 1.083 . . . . 72.450000000000003 109.3 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 69.1 m-20 -119.85 -38.43 2.96 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.129 . . . . 72.409999999999997 109.258 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 1.9 tp -57.24 137.89 55.39 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.427 1.079 . . . . 73.349999999999994 109.343 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.527 HG23 ' CD1' ' A' ' 90' ' ' LEU . 1.3 p -95.87 -158.01 0.62 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.547 1.155 . . . . 33.539999999999999 110.409 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 2.7 t -87.6 -41.64 14.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 O-C-N 124.491 1.119 . . . . 60.439999999999998 109.285 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -73.53 -6.75 71.81 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.489 1.118 . . . . 73.230000000000004 110.968 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -98.79 -24.74 14.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.381 0.695 . . . . 74.530000000000001 110.262 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.684 ' CD1' HG11 ' A' ' 51' ' ' VAL . 12.2 t80 -78.41 -50.89 10.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 73.030000000000001 111.029 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.678 HG13 ' CG2' ' A' ' 76' ' ' ILE . 63.8 t -41.7 -36.1 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.446 1.091 . . . . 73.010000000000005 109.314 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -56.65 -52.99 62.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.14 . . . . 74.540000000000006 111.124 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.896 HG22 ' C ' ' B' ' 630' ' ' ALA . 77.5 t -60.09 -39.17 79.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 65.319999999999993 109.319 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.97 ' CD1' ' HG ' ' A' ' 33' ' ' CYS . 24.6 mm -66.46 -34.42 70.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 O-C-N 124.476 1.11 . . . . 74.049999999999997 109.301 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 4.5 tpp85 -80.68 -3.67 51.53 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.401 1.063 . . . . 63.25 110.325 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 12.2 mttt -89.45 -46.2 8.88 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.531 1.144 . . . . 71.450000000000003 109.301 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.514 ' HG3' HD12 ' A' ' 44' ' ' ILE . 2.9 mmp_? -52.95 -59.36 4.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.1 . . . . 74.150000000000006 110.369 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.797 HG21 ' O ' ' A' ' 42' ' ' PRO . 6.2 pt -79.98 -4.98 7.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 74.209999999999994 109.253 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' MET . . . . . 0.495 ' CG ' ' O ' ' A' ' 68' ' ' ILE . 5.9 ptp 42.54 44.14 3.46 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.531 1.145 . . . . 64.340000000000003 110.968 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.487 HD12 ' HA ' ' A' ' 70' ' ' LEU . 5.3 tp -61.64 140.53 95.15 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.541 1.151 . . . . 62.43 109.342 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' 70' ' ' LEU . 18.4 Cg_endo -75.08 169.74 21.93 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.504 1.792 . . . . 75.310000000000002 110.965 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -0.67 10.25 Favored 'Trans proline' 0 C--N 1.362 1.27 0 O-C-N 124.468 1.772 . . . . 73.310000000000002 110.978 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 17.1 pt-20 -90.64 2.94 55.43 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.543 1.152 . . . . 75.109999999999999 110.266 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.401 ' HD2' HD11 ' A' ' 70' ' ' LEU . 19.2 mttt -121.53 -178.96 3.94 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.509 1.13 . . . . 74.239999999999995 109.291 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -139.11 147.08 41.48 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.576 1.172 . . . . 54.009999999999998 109.334 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.908 HD12 ' CD2' ' A' ' 109' ' ' TYR . 1.1 tt -142.88 121.66 8.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.411 1.069 . . . . 71.129999999999995 109.336 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . 0.49 ' HB3' HD11 ' A' ' 84' ' ' LEU . 65.8 m-85 -122.16 140.57 52.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 70.230000000000004 110.931 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.6 ' CG2' ' CG2' ' A' ' 107' ' ' VAL . 9.1 mm -85.33 149.8 4.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 70.040000000000006 109.264 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -139.87 126.14 20.05 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 63.119999999999997 111.048 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.569 ' O ' HG23 ' A' ' 83' ' ' THR . 2.2 t -128.84 116.76 42.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.434 1.084 . . . . 75.209999999999994 109.302 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . 0.499 ' O ' ' CB ' ' A' ' 82' ' ' ASP . 1.8 m-80 64.03 19.9 11.96 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.57 1.168 . . . . 74.420000000000002 109.271 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . 0.499 ' CB ' ' O ' ' A' ' 81' ' ' ASN . 3.9 m-20 81.61 24.7 0.24 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 75.129999999999995 109.319 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' THR . . . . . 0.569 HG23 ' O ' ' A' ' 80' ' ' VAL . 0.7 OUTLIER -131.76 135.17 46.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.112 . . . . 74.25 110.322 -179.941 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.67 HD23 HD22 ' A' ' 113' ' ' ASN . 0.2 OUTLIER -91.48 112.45 54.29 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.46 1.1 . . . . 64.219999999999999 109.268 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 163.55 35.18 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.491 1.785 . . . . 73.140000000000001 110.988 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . 0.732 ' HD2' ' HB2' ' A' ' 89' ' ' ALA . 18.2 Cg_endo -75.02 -164.97 0.26 Allowed 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.469 1.773 . . . . 70.439999999999998 111.017 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 4.8 p -96.12 -31.95 12.75 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.453 1.096 . . . . 62.409999999999997 110.399 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -86.42 11.27 12.8 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.555 1.159 . . . . 71.439999999999998 109.369 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 1.055 ' HB1' HD12 ' A' ' 94' ' ' ILE . . . -75.84 60.37 1.33 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 73.430000000000007 109.324 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.531 ' C ' ' O ' ' A' ' 89' ' ' ALA . 0.4 OUTLIER -28.95 114.99 0.09 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 71.209999999999994 109.303 179.94 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' MET . . . . . 0.548 ' SD ' HG22 ' A' ' 51' ' ' VAL . 0.0 OUTLIER -36.55 -32.17 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.612 1.195 . . . . 71.209999999999994 111.004 179.976 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' SER . . . . . 0.45 ' N ' ' O ' ' A' ' 90' ' ' LEU . 1.3 t -62.79 -56.62 15.8 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.436 1.085 . . . . 61.219999999999999 110.006 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . 0.407 ' N ' ' O ' ' A' ' 90' ' ' LEU . . . -63.37 -13.31 37.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.434 1.083 . . . . 70.439999999999998 109.235 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 1.055 HD12 ' HB1' ' A' ' 89' ' ' ALA . 29.7 mm -87.48 -41.02 14.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.489 1.118 . . . . 61.530000000000001 109.352 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . 0.763 ' CD2' HD21 ' A' ' 105' ' ' LEU . 7.7 t80 -79.28 -5.65 54.9 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.554 1.159 . . . . 52.140000000000001 110.95 -179.9 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . 0.454 ' O ' ' CG ' ' A' ' 96' ' ' GLN . 1.4 tt0 -101.87 -10.12 20.13 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.559 1.162 . . . . 73.329999999999998 110.248 -179.905 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -120.45 -7.59 9.69 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.446 1.091 . . . . 70.129999999999995 110.332 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . 0.486 ' CE1' ' ND2' ' A' ' 81' ' ' ASN . 25.0 m-70 -126.99 16.55 7.32 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.555 1.159 . . . . 62.030000000000001 109.544 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.491 ' HB3' ' O ' ' A' ' 95' ' ' TYR . 0.1 OUTLIER -60.61 156.19 17.12 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.552 1.157 . . . . 60.420000000000002 109.287 -179.94 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -128.47 175.78 8.25 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.448 1.092 . . . . 64.510000000000005 109.303 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.441 ' CE ' ' HA ' ' A' ' 101' ' ' LYS . 4.0 mmpt? -50.91 -57.38 8.65 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.424 1.078 . . . . 74.239999999999995 109.29 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . 0.554 ' HB3' ' CE1' ' A' ' 11' ' ' PHE . 0.5 OUTLIER -56.93 -19.92 20.61 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.484 1.115 . . . . 52.350000000000001 109.215 -179.912 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . 0.421 ' O ' ' CZ ' ' A' ' 95' ' ' TYR . . . 91.01 -25.78 13.1 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.466 1.104 . . . . 42.140000000000001 110.929 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . 0.665 ' CE1' ' NZ ' ' A' ' 48' ' ' LYS . 13.5 m-85 -68.9 145.81 53.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.444 0.732 . . . . 73.230000000000004 111.089 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.763 HD21 ' CD2' ' A' ' 95' ' ' TYR . 0.3 OUTLIER -86.94 143.09 27.54 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 74.420000000000002 109.34 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . 0.443 ' OH ' ' NH1' ' A' ' 14' ' ' ARG . 84.6 m-85 -120.74 95.09 4.57 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.486 1.116 . . . . 64.400000000000006 111.015 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . 0.6 ' CG2' ' CG2' ' A' ' 78' ' ' ILE . 12.0 p -106.82 169.31 2.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.538 1.149 . . . . 71.319999999999993 109.389 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' THR . . . . . 0.474 ' N ' HG23 ' A' ' 107' ' ' VAL . 0.6 OUTLIER -152.75 158.17 41.9 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.511 1.132 . . . . 74.209999999999994 110.326 -179.939 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' TYR . . . . . 0.908 ' CD2' HD12 ' A' ' 76' ' ' ILE . 36.1 p90 -140.75 141.45 34.86 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.477 1.11 . . . . 63.539999999999999 111.012 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 19.5 m -138.66 174.79 10.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.455 1.097 . . . . 73.5 110.018 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -87.92 2.69 85.82 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.528 1.143 . . . . 54.340000000000003 111.005 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . 0.459 ' HE2' ' CA ' ' A' ' 39' ' ' SER . 20.1 pm0 -118.29 149.82 40.5 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.433 0.725 . . . . 65.25 110.334 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . 0.67 HD22 HD23 ' A' ' 84' ' ' LEU . 18.4 t-20 -93.58 14.84 17.64 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.439 1.087 . . . . 71.129999999999995 109.282 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' THR . . . . . 0.703 HG23 ' H ' ' A' ' 115' ' ' PHE . 5.1 m -134.48 -171.74 2.84 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.588 1.18 . . . . 73.219999999999999 110.411 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . 0.703 ' H ' HG23 ' A' ' 114' ' ' THR . 3.9 p90 -113.49 97.35 6.4 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.585 1.178 . . . . 74.329999999999998 111.079 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . 0.421 ' HA2' ' CD ' ' A' ' 38' ' ' LYS . . . . . . . . 0 CA--C 1.53 1.0 0 O-C-N 124.509 1.13 . . . . 63.520000000000003 111.0 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 597' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.086 0 N-CA-C 110.964 -0.855 . . . . 75.340000000000003 110.964 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 598' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 127.49 10.73 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.502 1.79 . . . . 62.549999999999997 111.029 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 599' ' ' HIS . . . . . . . . . . . . . 41.8 t60 -153.38 162.95 40.76 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.535 1.147 . . . . 61.329999999999998 109.577 -179.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 600' ' ' MET . . . . . 0.613 ' HE2' HG13 ' B' ' 611' ' ' VAL . 4.7 tpt 62.75 19.99 11.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 71.310000000000002 110.974 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 601' ' ' ILE . . . . . . . . . . . . . 5.1 mm -66.35 113.82 2.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.466 1.104 . . . . 72.439999999999998 109.331 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 602' ' ' SER . . . . . . . . . . . . . 96.3 p -176.0 159.1 2.11 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.475 1.109 . . . . 55.439999999999998 109.986 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 603' ' ' GLY . . . . . . . . . . . . . . . -157.87 25.22 0.42 Allowed Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.496 1.122 . . . . 71.310000000000002 111.069 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 604' ' ' LEU . . . . . 0.48 HD12 ' H ' ' B' ' 605' ' ' SER . 65.3 tp -114.23 166.72 11.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.416 0.715 . . . . 63.329999999999998 109.321 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 605' ' ' SER . . . . . 0.48 ' H ' HD12 ' B' ' 604' ' ' LEU . 33.6 t -39.37 158.49 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.47 1.106 . . . . 73.049999999999997 109.977 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 606' ' ' VAL . . . . . . . . . . . . . 88.1 t -102.17 149.22 6.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.537 1.148 . . . . 74.109999999999999 109.323 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 607' ' ' ILE . . . . . 0.561 HG22 ' H ' ' B' ' 608' ' ' LYS . 4.0 mm -131.67 170.24 20.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 71.450000000000003 109.273 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 608' ' ' LYS . . . . . 0.561 ' H ' HG22 ' B' ' 607' ' ' ILE . 2.0 mmmm -61.5 -14.89 32.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.64 1.212 . . . . 71.519999999999996 109.341 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 609' ' ' GLN . . . . . 0.414 ' O ' ' O ' ' B' ' 610' ' ' GLU . 0.1 OUTLIER -78.79 2.46 19.76 Favored 'General case' 0 C--N 1.326 -0.413 0 O-C-N 124.513 1.133 . . . . 75.510000000000005 110.34 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 610' ' ' GLU . . . . . 0.414 ' O ' ' O ' ' B' ' 609' ' ' GLN . 10.9 pt-20 -43.9 169.21 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.52 1.138 . . . . 74.310000000000002 110.281 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 611' ' ' VAL . . . . . 0.613 HG13 ' HE2' ' B' ' 600' ' ' MET . 0.2 OUTLIER -144.95 153.43 14.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.577 1.173 . . . . 74.530000000000001 109.353 179.94 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 612' ' ' GLU . . . . . 0.423 ' CD ' ' N ' ' B' ' 612' ' ' GLU . 0.5 OUTLIER -108.41 -91.68 0.43 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 72.219999999999999 110.313 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 613' ' ' ARG . . . . . 0.518 ' HG3' HD12 ' B' ' 614' ' ' LEU . 1.5 ptt180 -106.46 -27.51 10.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 71.310000000000002 110.391 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 614' ' ' LEU . . . . . 0.816 HD22 ' CZ3' ' B' ' 621' ' ' TRP . 2.8 mp -85.25 125.33 32.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 75.010000000000005 109.334 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 615' ' ' GLY . . . . . . . . . . . . . . . -127.94 -59.26 0.12 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.502 1.126 . . . . 55.229999999999997 111.059 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 616' ' ' ASN . . . . . 0.433 ' HB3' ' CB ' ' B' ' 620' ' ' GLU . 4.6 t30 -55.05 -169.54 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 0.744 . . . . 73.319999999999993 109.326 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 617' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -53.94 -172.56 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 64.209999999999994 109.319 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 618' ' ' VAL . . . . . 0.886 HG22 ' CD ' ' A' ' 17' ' ' GLU . 2.7 t -62.04 129.78 25.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 73.239999999999995 109.302 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 619' ' ' PHE . . . . . 0.573 ' CE1' ' HE2' ' A' ' 48' ' ' LYS . 14.7 m-85 71.83 32.98 1.8 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 72.230000000000004 111.014 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 620' ' ' GLU . . . . . 0.433 ' CB ' ' HB3' ' B' ' 616' ' ' ASN . 0.3 OUTLIER -46.84 -32.4 3.71 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.398 1.061 . . . . 53.420000000000002 110.315 179.935 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 621' ' ' TRP . . . . . 0.816 ' CZ3' HD22 ' B' ' 614' ' ' LEU . 1.4 p90 -72.28 166.34 22.65 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 108.004 -1.11 . . . . 73.319999999999993 108.004 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 622' ' ' GLU . . . . . 0.633 ' O ' ' CD1' ' B' ' 621' ' ' TRP . 33.6 tp10 -43.16 162.42 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.101 . . . . 64.150000000000006 110.328 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 623' ' ' ASP . . . . . 0.428 ' N ' ' HG3' ' B' ' 622' ' ' GLU . 24.1 m-20 53.1 100.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.474 1.109 . . . . 72.319999999999993 109.217 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 624' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -76.63 -69.5 0.51 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.536 1.147 . . . . 63.210000000000001 109.356 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 625' ' ' GLU . . . . . 0.452 ' HB3' ' CZ ' ' A' ' 25' ' ' PHE . 1.6 pt-20 -115.25 20.24 15.04 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.582 1.176 . . . . 75.099999999999994 110.292 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 626' ' ' SER . . . . . 0.423 ' CB ' ' HB3' ' B' ' 623' ' ' ASP . 25.3 t -38.67 156.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 72.439999999999998 109.986 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 627' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -92.03 22.95 3.99 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.462 1.101 . . . . 61.450000000000003 109.286 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 628' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -87.63 -10.38 51.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 70.040000000000006 110.325 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 629' ' ' ILE . . . . . 0.45 ' C ' HD13 ' B' ' 629' ' ' ILE . 1.2 pp -101.6 30.57 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.116 . . . . 61.409999999999997 109.311 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 630' ' ' ALA . . . . . 0.896 ' C ' HG22 ' A' ' 63' ' ' VAL . . . . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.111 . . . . 73.25 109.32 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 0' ' ' HIS . . . . . . . . . . . . . 27.0 m170 . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.578 -0.527 . . . . 72.510000000000005 109.578 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.494 ' HE3' ' HB3' ' A' ' 1' ' ' MET . 3.4 ptp -63.81 -178.54 0.32 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.533 1.145 . . . . 71.219999999999999 110.971 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.461 ' HA ' ' HE2' ' A' ' 43' ' ' GLU . 5.6 mtmm -135.9 -47.64 0.67 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.456 1.098 . . . . 64.099999999999994 109.358 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 30.3 t -77.53 124.9 28.51 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.452 1.095 . . . . 61.210000000000001 109.96 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.647 ' HG1' ' HB3' ' A' ' 46' ' ' LYS . 8.3 p -123.37 -58.19 1.63 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.449 1.093 . . . . 74.439999999999998 110.438 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.612 ' CE2' ' OH ' ' A' ' 9' ' ' TYR . 69.0 t80 -71.6 -31.36 66.84 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.6 1.187 . . . . 75.109999999999999 111.075 179.897 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.866 ' HZ2' HG21 ' A' ' 32' ' ' ILE . 0.6 OUTLIER -80.64 -53.34 6.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 72.109999999999999 109.282 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 29.5 t -59.47 -15.36 17.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.571 1.17 . . . . 63.350000000000001 109.946 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.59 ' HB3' ' CD1' ' A' ' 9' ' ' TYR . 8.9 tt0 -54.74 -46.92 74.37 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.468 1.105 . . . . 75.049999999999997 110.328 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.612 ' OH ' ' CE2' ' A' ' 5' ' ' PHE . 1.9 p90 -134.46 167.28 23.6 Favored Pre-proline 0 C--N 1.326 -0.434 0 O-C-N 124.425 1.078 . . . . 62.130000000000003 110.948 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -178.68 4.34 Favored 'Trans proline' 0 C--N 1.361 1.211 0 O-C-N 124.493 1.786 . . . . 44.439999999999998 110.986 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.648 ' CE2' ' CD ' ' A' ' 101' ' ' LYS . 6.2 t80 -68.22 -48.03 66.25 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 73.120000000000005 110.927 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -52.97 -19.19 2.43 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 72.25 110.294 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.769 ' HZ2' ' CD ' ' B' ' 609' ' ' GLN . 1.0 OUTLIER -93.42 -51.5 4.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 72.310000000000002 109.376 179.956 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 11.6 ptp180 -60.85 -20.55 61.99 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.445 1.091 . . . . 72.400000000000006 110.231 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.416 ' HD3' ' CE1' ' A' ' 11' ' ' PHE . 34.9 pttt -81.4 -42.89 19.76 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.522 1.139 . . . . 63.020000000000003 109.322 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -57.57 -23.81 52.73 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.447 1.092 . . . . 52.130000000000003 109.251 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.439 ' O ' ' CG ' ' A' ' 20' ' ' ARG . 13.4 tp10 -68.32 -57.11 6.44 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 64.25 110.209 -179.911 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 20.2 p -59.01 -15.77 14.89 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 73.400000000000006 110.045 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -79.94 -25.36 40.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 72.310000000000002 110.363 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.916 HH21 ' CD ' ' A' ' 24' ' ' ARG . 13.9 ptm180 -101.85 -25.94 13.63 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.522 1.139 . . . . 74.030000000000001 110.257 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 27.1 mt -63.63 -22.01 29.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 70.129999999999995 109.294 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -74.17 -19.0 60.7 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.453 1.096 . . . . 53.32 109.27 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -97.36 -42.68 7.64 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.466 1.104 . . . . 74.040000000000006 109.303 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.916 ' CD ' HH21 ' A' ' 20' ' ' ARG . 4.1 mtp85 -69.48 -51.89 31.68 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.491 1.119 . . . . 72.200000000000003 110.317 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.543 ' CE2' ' HB3' ' A' ' 24' ' ' ARG . 3.4 m-85 -142.27 91.89 7.66 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.505 1.128 . . . . 64.319999999999993 111.06 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 -33.28 4.8 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.47 1.774 . . . . 74.200000000000003 110.987 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.594 HD21 ' N ' ' A' ' 27' ' ' ASN . 0.9 OUTLIER -91.02 40.22 1.02 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.385 1.053 . . . . 72.439999999999998 109.351 179.968 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.448 ' CG ' ' HB3' ' A' ' 25' ' ' PHE . 11.8 mmt180 -124.11 170.17 10.96 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.365 1.04 . . . . 75.129999999999995 110.313 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.492 HD13 ' HA ' ' A' ' 92' ' ' SER . 22.2 mm -133.06 96.24 17.88 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.543 1.152 . . . . 73.209999999999994 109.345 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.672 ' HA ' HD23 ' A' ' 50' ' ' LEU . 18.2 Cg_endo -74.94 105.51 2.09 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.487 1.782 . . . . 64.019999999999996 110.981 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.531 HG13 HG23 ' A' ' 51' ' ' VAL . 0.9 OUTLIER -118.82 169.63 9.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.431 1.082 . . . . 75.340000000000003 109.293 179.961 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.866 HG21 ' HZ2' ' A' ' 6' ' ' LYS . 4.0 mm -134.7 106.16 7.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 65.239999999999995 109.259 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.78 ' HG ' ' CD1' ' A' ' 64' ' ' ILE . 0.5 OUTLIER -83.69 139.74 32.59 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.404 1.065 . . . . 43.200000000000003 108.286 179.974 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.487 ' O ' ' CG2' ' A' ' 108' ' ' THR . 6.7 tp10 -149.86 156.71 42.25 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.528 1.143 . . . . 74.129999999999995 110.18 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.596 ' HZ3' ' HB3' ' A' ' 35' ' ' LYS . 0.0 OUTLIER -94.12 126.91 39.63 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.471 1.107 . . . . 74.109999999999999 109.317 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.504 ' HB3' ' HB2' ' A' ' 39' ' ' SER . . . -53.74 179.46 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 61.539999999999999 109.316 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.451 ' CG ' ' N ' ' A' ' 38' ' ' LYS . 11.1 pt-20 -96.44 -50.95 4.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.414 1.071 . . . . 72.099999999999994 110.279 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.451 ' N ' ' CG ' ' A' ' 37' ' ' GLU . 50.3 mttp -59.74 -37.03 77.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 70.129999999999995 109.272 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.504 ' HB2' ' HB3' ' A' ' 36' ' ' ALA . 3.3 t -39.98 159.59 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.45 1.094 . . . . 61.219999999999999 109.985 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 75.2 m-20 -121.98 1.9 9.87 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.586 1.179 . . . . 65.120000000000005 109.283 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.595 HD12 ' CE2' ' A' ' 109' ' ' TYR . 0.1 OUTLIER -79.88 167.99 29.54 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.44 1.088 . . . . 75.430000000000007 109.275 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . 0.457 ' O ' HG21 ' A' ' 68' ' ' ILE . 18.0 Cg_endo -75.07 125.2 9.12 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.491 1.785 . . . . 64.400000000000006 110.974 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.461 ' HE2' ' HA ' ' A' ' 2' ' ' LYS . 42.1 tt0 -66.2 146.82 54.18 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.435 1.084 . . . . 74.430000000000007 110.339 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.753 HD12 ' HG3' ' A' ' 67' ' ' ARG . 13.8 tt -67.11 170.28 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.46 1.1 . . . . 73.530000000000001 109.325 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -72.25 -44.33 63.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.421 1.075 . . . . 74.129999999999995 109.296 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.647 ' HB3' ' HG1' ' A' ' 4' ' ' THR . 0.1 OUTLIER -149.83 164.98 33.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 72.310000000000002 109.295 179.972 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.698 ' HB2' HG22 ' A' ' 32' ' ' ILE . 2.1 ptm180 -106.99 95.68 5.89 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.484 1.115 . . . . 73.310000000000002 110.302 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.583 ' HB2' ' CD2' ' A' ' 5' ' ' PHE . 17.8 tptt -166.6 116.43 0.92 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.555 1.159 . . . . 65.409999999999997 109.268 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.679 ' HE2' HG12 ' A' ' 63' ' ' VAL . 20.3 m-85 -141.67 115.22 8.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.441 1.088 . . . . 72.340000000000003 111.015 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.672 HD23 ' HA ' ' A' ' 30' ' ' PRO . 0.3 OUTLIER -98.33 77.13 2.35 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.567 1.167 . . . . 74.329999999999998 109.346 -179.969 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.94 HG22 ' SD ' ' A' ' 91' ' ' MET . 6.4 m -82.82 146.28 52.15 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.102 . . . . 63.399999999999999 109.225 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . 0.421 ' HA ' ' HD3' ' A' ' 28' ' ' ARG . 18.4 Cg_endo -74.95 -178.23 4.01 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.452 1.764 . . . . 72.439999999999998 110.994 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -91.84 18.77 7.27 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.486 1.116 . . . . 72.450000000000003 109.332 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -118.1 -38.48 3.21 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.462 1.101 . . . . 72.409999999999997 109.266 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.609 HD12 ' N ' ' A' ' 56' ' ' THR . 0.0 OUTLIER -57.93 130.38 46.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.547 1.154 . . . . 73.349999999999994 109.269 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.609 ' N ' HD12 ' A' ' 55' ' ' LEU . 2.4 p -90.19 -164.09 1.11 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.113 . . . . 33.539999999999999 110.409 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.41 ' CG2' ' HB3' ' A' ' 89' ' ' ALA . 2.4 t -84.12 -60.57 2.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.548 1.155 . . . . 60.439999999999998 109.355 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -57.17 -21.48 39.48 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.429 1.081 . . . . 73.230000000000004 110.989 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . 0.497 ' CB ' ' CD1' ' A' ' 55' ' ' LEU . 9.6 mt-30 -88.63 -28.31 20.73 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.432 0.725 . . . . 74.530000000000001 110.352 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.688 ' CE1' HG11 ' A' ' 51' ' ' VAL . 54.2 t80 -69.35 -38.67 78.23 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.124 . . . . 73.030000000000001 111.034 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.701 HG23 HG12 ' A' ' 78' ' ' ILE . 85.4 t -49.06 -47.19 17.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 73.010000000000005 109.231 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.552 ' CD1' ' C ' ' A' ' 62' ' ' TYR . 0.1 OUTLIER -44.82 -32.7 1.65 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 74.540000000000006 110.995 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.72 HG22 ' CA ' ' B' ' 630' ' ' ALA . 97.7 t -74.38 -39.49 48.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.43 1.081 . . . . 65.319999999999993 109.26 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.78 ' CD1' ' HG ' ' A' ' 33' ' ' CYS . 4.0 mm -67.79 -33.5 62.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.549 1.156 . . . . 74.049999999999997 109.35 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 2.3 tpp180 -77.86 -3.24 40.63 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.52 1.137 . . . . 63.25 110.291 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.471 ' HD2' ' CE1' ' A' ' 62' ' ' TYR . 15.3 mttt -90.23 -50.11 6.17 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.14 . . . . 71.450000000000003 109.279 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.753 ' HG3' HD12 ' A' ' 44' ' ' ILE . 6.7 mmp_? -53.01 -66.43 0.39 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.556 1.16 . . . . 74.150000000000006 110.332 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.715 HD12 HD13 ' A' ' 76' ' ' ILE . 6.0 pt -72.32 -5.37 6.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.446 1.091 . . . . 74.209999999999994 109.385 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' MET . . . . . 0.508 ' CG ' ' O ' ' A' ' 68' ' ' ILE . 6.0 ptp 42.88 42.82 3.22 Favored 'General case' 0 C--N 1.327 -0.381 0 O-C-N 124.41 1.069 . . . . 64.340000000000003 111.059 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.503 HD23 HD13 ' A' ' 68' ' ' ILE . 4.8 tp -62.11 140.65 96.0 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 62.43 109.299 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 170.89 19.41 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.514 1.797 . . . . 75.310000000000002 110.94 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 0.23 9.18 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.507 1.793 . . . . 73.310000000000002 111.03 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -93.28 7.25 45.14 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.438 1.086 . . . . 75.109999999999999 110.281 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -125.31 179.9 4.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.555 1.159 . . . . 74.239999999999995 109.35 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -136.58 149.13 47.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.145 . . . . 54.009999999999998 109.309 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.776 HD12 ' CD2' ' A' ' 109' ' ' TYR . 1.5 tt -149.45 120.01 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.396 1.06 . . . . 71.129999999999995 109.279 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . 0.613 ' HB3' HD11 ' A' ' 84' ' ' LEU . 52.1 m-85 -120.67 142.74 49.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.107 . . . . 70.230000000000004 110.995 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.701 HG12 HG23 ' A' ' 61' ' ' VAL . 11.3 mm -84.8 139.55 17.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.569 1.168 . . . . 70.040000000000006 109.298 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . 0.586 ' CZ ' HD13 ' A' ' 84' ' ' LEU . 6.9 m-85 -131.34 130.88 43.25 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.484 1.115 . . . . 63.119999999999997 111.076 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.682 HG12 ' ND2' ' A' ' 81' ' ' ASN . 2.8 t -130.27 118.73 44.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.453 1.096 . . . . 75.209999999999994 109.323 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . 0.682 ' ND2' HG12 ' A' ' 80' ' ' VAL . 2.4 m-80 60.82 19.36 9.57 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.535 1.147 . . . . 74.420000000000002 109.29 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . 0.493 ' CB ' ' O ' ' A' ' 81' ' ' ASN . 9.3 t0 81.08 25.7 0.25 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.439 1.087 . . . . 75.129999999999995 109.341 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' THR . . . . . 0.486 ' O ' ' CG2' ' A' ' 83' ' ' THR . 0.6 OUTLIER -133.15 112.94 12.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.107 . . . . 74.25 110.388 -179.94 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.613 HD11 ' HB3' ' A' ' 77' ' ' PHE . 0.3 OUTLIER -71.99 113.81 23.53 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.524 1.14 . . . . 64.219999999999999 109.306 179.967 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . 0.406 ' HD3' ' O ' ' A' ' 83' ' ' THR . 18.5 Cg_endo -74.98 165.32 31.58 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.482 1.78 . . . . 73.140000000000001 111.018 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . 0.733 ' HD2' ' HB2' ' A' ' 89' ' ' ALA . 18.5 Cg_endo -74.94 -167.27 0.4 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.586 1.835 . . . . 70.439999999999998 111.02 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 2.0 p -93.68 -32.13 14.17 Favored 'General case' 0 C--N 1.327 -0.406 0 O-C-N 124.449 1.093 . . . . 62.409999999999997 110.451 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -86.38 11.66 11.86 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.487 1.117 . . . . 71.439999999999998 109.306 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 1.018 ' HB1' HD12 ' A' ' 94' ' ' ILE . . . -76.01 60.57 1.42 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.118 . . . . 73.430000000000007 109.301 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.556 ' CD1' HG23 ' A' ' 56' ' ' THR . 0.4 OUTLIER -28.99 115.64 0.1 Allowed 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.493 1.12 . . . . 71.209999999999994 109.424 179.926 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' MET . . . . . 0.94 ' SD ' HG22 ' A' ' 51' ' ' VAL . 0.3 OUTLIER -37.05 -31.1 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.546 1.154 . . . . 71.209999999999994 110.978 -179.973 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' SER . . . . . 0.492 ' HA ' HD13 ' A' ' 29' ' ' ILE . 1.5 t -67.81 -53.71 24.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.605 1.191 . . . . 61.219999999999999 110.001 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . 0.452 ' N ' ' O ' ' A' ' 90' ' ' LEU . . . -63.27 -13.16 35.1 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.561 1.163 . . . . 70.439999999999998 109.242 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 1.018 HD12 ' HB1' ' A' ' 89' ' ' ALA . 26.8 mm -88.28 -41.7 14.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.42 1.075 . . . . 61.530000000000001 109.376 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . 0.692 ' CD2' HD21 ' A' ' 105' ' ' LEU . 4.7 t80 -74.78 -9.02 58.16 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.44 1.088 . . . . 52.140000000000001 111.022 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . 0.467 ' O ' ' CG ' ' A' ' 96' ' ' GLN . 15.5 tp60 -100.99 -8.97 21.9 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.388 1.055 . . . . 73.329999999999998 110.301 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -118.3 -8.12 10.63 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 70.129999999999995 110.325 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . 0.564 ' HD2' HG23 ' A' ' 94' ' ' ILE . 61.4 m-70 -128.42 14.97 6.63 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.48 1.113 . . . . 62.030000000000001 109.624 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.494 ' HB3' ' O ' ' A' ' 95' ' ' TYR . 0.1 OUTLIER -55.75 154.68 6.66 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.525 1.141 . . . . 60.420000000000002 109.306 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -124.66 171.59 9.94 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.507 1.129 . . . . 64.510000000000005 109.268 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.648 ' CD ' ' CE2' ' A' ' 11' ' ' PHE . 0.1 OUTLIER -55.44 -43.04 75.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 74.239999999999995 109.362 179.947 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . 0.788 ' CG ' ' HH ' ' A' ' 106' ' ' TYR . 1.0 OUTLIER -72.01 -15.48 62.05 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.124 . . . . 52.350000000000001 109.277 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 88.77 -39.27 3.13 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.532 1.145 . . . . 42.140000000000001 111.046 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . 0.451 ' HE1' ' HZ3' ' A' ' 48' ' ' LYS . 0.4 OUTLIER -56.99 132.11 51.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 0.751 . . . . 73.230000000000004 110.866 -179.968 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.692 HD21 ' CD2' ' A' ' 95' ' ' TYR . 0.2 OUTLIER -77.37 151.16 34.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 74.420000000000002 109.342 179.97 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . 0.788 ' HH ' ' CG ' ' A' ' 102' ' ' ASP . 94.3 m-85 -130.62 95.9 3.98 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.496 1.122 . . . . 64.400000000000006 111.05 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . 0.603 ' CG2' ' CG2' ' A' ' 78' ' ' ILE . 11.5 p -106.07 171.44 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.533 1.145 . . . . 71.319999999999993 109.291 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' THR . . . . . 0.526 ' H ' HG23 ' A' ' 107' ' ' VAL . 0.3 OUTLIER -152.47 161.12 43.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.112 . . . . 74.209999999999994 110.42 179.983 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' TYR . . . . . 0.776 ' CD2' HD12 ' A' ' 76' ' ' ILE . 46.7 p90 -140.74 134.3 30.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.438 1.086 . . . . 63.539999999999999 110.94 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 22.9 t -136.33 157.56 46.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.377 1.048 . . . . 73.5 110.014 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -85.2 2.42 88.2 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.563 1.164 . . . . 54.340000000000003 111.048 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -121.69 124.53 44.49 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.547 0.793 . . . . 65.25 110.312 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 11.5 t-20 -86.4 53.37 2.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.405 1.065 . . . . 71.129999999999995 109.301 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' THR . . . . . 0.663 HG23 ' H ' ' A' ' 115' ' ' PHE . 3.6 m -106.54 -171.91 1.98 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.11 . . . . 73.219999999999999 110.428 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . 0.663 ' H ' HG23 ' A' ' 114' ' ' THR . 4.6 p90 -111.97 96.82 6.27 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.491 1.119 . . . . 74.329999999999998 110.993 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 O-C-N 124.505 1.128 . . . . 63.520000000000003 111.031 179.991 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 597' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 N-CA-C 111.047 -0.821 . . . . 75.340000000000003 111.047 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 598' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -75.08 -172.26 1.21 Allowed 'Trans proline' 0 C--N 1.359 1.1 0 O-C-N 124.596 1.84 . . . . 62.549999999999997 110.912 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 599' ' ' HIS . . . . . 0.439 ' CG ' ' H ' ' B' ' 600' ' ' MET . 53.5 t60 -119.83 175.7 5.76 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 61.329999999999998 109.542 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 600' ' ' MET . . . . . 0.485 ' HE3' ' HB2' ' B' ' 600' ' ' MET . 1.8 mpp? -143.57 163.39 33.31 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 71.310000000000002 110.952 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 601' ' ' ILE . . . . . 0.477 HG22 ' N ' ' B' ' 602' ' ' SER . 15.6 mm -144.4 164.44 13.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.523 1.139 . . . . 72.439999999999998 109.25 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 602' ' ' SER . . . . . 0.477 ' N ' HG22 ' B' ' 601' ' ' ILE . 58.6 m -157.16 -175.17 5.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 55.439999999999998 110.012 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 603' ' ' GLY . . . . . . . . . . . . . . . 141.87 -13.87 2.64 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.531 1.144 . . . . 71.310000000000002 111.016 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 604' ' ' LEU . . . . . . . . . . . . . 1.4 tt -40.54 120.59 1.28 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.529 0.782 . . . . 63.329999999999998 109.313 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 605' ' ' SER . . . . . 0.824 ' O ' HG21 ' B' ' 606' ' ' VAL . 54.4 m -112.91 -176.27 2.86 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.525 1.141 . . . . 73.049999999999997 109.998 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 606' ' ' VAL . . . . . 0.824 HG21 ' O ' ' B' ' 605' ' ' SER . 3.3 t -163.32 163.98 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.437 1.086 . . . . 74.109999999999999 109.296 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 607' ' ' ILE . . . . . 0.55 HG22 ' N ' ' B' ' 608' ' ' LYS . 12.8 mm -105.27 166.79 3.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.588 1.18 . . . . 71.450000000000003 109.294 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 608' ' ' LYS . . . . . 0.55 ' N ' HG22 ' B' ' 607' ' ' ILE . 0.1 OUTLIER -134.79 151.0 50.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.143 . . . . 71.519999999999996 109.332 -179.981 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 609' ' ' GLN . . . . . 0.769 ' CD ' ' HZ2' ' A' ' 13' ' ' LYS . 19.4 mp0 -129.48 -174.92 3.42 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.511 1.132 . . . . 75.510000000000005 110.321 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 610' ' ' GLU . . . . . . . . . . . . . 20.2 mm-40 -46.84 172.47 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.476 1.11 . . . . 74.310000000000002 110.374 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 611' ' ' VAL . . . . . 0.683 HG21 ' O ' ' B' ' 614' ' ' LEU . 0.2 OUTLIER -161.65 132.47 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 74.530000000000001 109.327 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 612' ' ' GLU . . . . . 0.453 ' CG ' ' HG3' ' A' ' 8' ' ' GLU . 7.3 pt-20 -113.84 -44.21 3.2 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.536 1.148 . . . . 72.219999999999999 110.238 -179.895 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 613' ' ' ARG . . . . . 0.574 ' HG3' HD12 ' B' ' 614' ' ' LEU . 0.1 OUTLIER -137.42 -44.86 0.55 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.454 1.096 . . . . 71.310000000000002 110.287 -179.966 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 614' ' ' LEU . . . . . 0.683 ' O ' HG21 ' B' ' 611' ' ' VAL . 2.2 mp -85.84 -164.14 0.98 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.565 1.166 . . . . 75.010000000000005 109.257 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 615' ' ' GLY . . . . . 0.423 ' N ' ' HG3' ' B' ' 620' ' ' GLU . . . -162.07 -137.86 2.29 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.504 1.127 . . . . 55.229999999999997 111.01 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 616' ' ' ASN . . . . . 0.507 ' ND2' ' H ' ' B' ' 617' ' ' ASP . 0.5 OUTLIER -39.24 -72.72 0.06 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.421 0.718 . . . . 73.319999999999993 109.268 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 617' ' ' ASP . . . . . 0.507 ' H ' ' ND2' ' B' ' 616' ' ' ASN . 12.4 t70 -72.75 170.84 13.76 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.419 1.074 . . . . 64.209999999999994 109.256 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 618' ' ' VAL . . . . . 0.617 ' O ' ' CD1' ' B' ' 619' ' ' PHE . 0.1 OUTLIER -92.94 32.79 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.497 1.123 . . . . 73.239999999999995 109.248 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 619' ' ' PHE . . . . . 0.617 ' CD1' ' O ' ' B' ' 618' ' ' VAL . 37.8 m-85 -164.57 115.84 1.24 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 72.230000000000004 110.94 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 620' ' ' GLU . . . . . 0.489 ' CG ' ' HA ' ' B' ' 614' ' ' LEU . 3.8 mm-40 -139.56 26.9 2.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 53.420000000000002 110.242 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 621' ' ' TRP . . . . . 0.463 ' HZ3' HD11 ' B' ' 614' ' ' LEU . 5.0 p90 -133.84 -166.53 1.8 Allowed 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 107.977 -1.12 . . . . 73.319999999999993 107.977 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 622' ' ' GLU . . . . . 0.466 ' O ' ' HB2' ' B' ' 623' ' ' ASP . 1.3 pt-20 -71.31 66.25 0.44 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.555 1.16 . . . . 64.150000000000006 110.327 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 623' ' ' ASP . . . . . 0.514 ' HD2' ' CD ' ' B' ' 628' ' ' GLU . 1.0 OUTLIER 167.45 111.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.428 1.08 . . . . 72.319999999999993 109.309 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 624' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -113.16 -82.22 0.6 Allowed 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.526 1.141 . . . . 63.210000000000001 109.349 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 625' ' ' GLU . . . . . 0.474 ' O ' ' C ' ' B' ' 626' ' ' SER . 2.5 pp20? -120.9 -5.99 9.58 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.496 1.123 . . . . 75.099999999999994 110.28 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 626' ' ' SER . . . . . 0.474 ' C ' ' O ' ' B' ' 625' ' ' GLU . 4.4 m -34.01 146.66 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.45 1.094 . . . . 72.439999999999998 109.999 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 627' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -75.07 -2.1 25.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 61.450000000000003 109.344 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 628' ' ' GLU . . . . . 0.514 ' CD ' ' HD2' ' B' ' 623' ' ' ASP . 7.0 pt-20 -53.9 -19.57 4.73 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.546 1.154 . . . . 70.040000000000006 110.272 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 629' ' ' ILE . . . . . 0.522 ' C ' HG11 ' A' ' 63' ' ' VAL . 1.2 pp -103.67 27.98 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.468 1.105 . . . . 61.409999999999997 109.294 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 630' ' ' ALA . . . . . 0.72 ' CA ' HG22 ' A' ' 63' ' ' VAL . . . . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.144 . . . . 73.25 109.248 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 0' ' ' HIS . . . . . . . . . . . . . 38.3 m170 . . . . . 0 N--CA 1.454 -0.26 0 N-CA-C 109.539 -0.541 . . . . 72.510000000000005 109.539 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.874 ' CE ' ' HG ' ' A' ' 7' ' ' SER . 8.9 ptm -147.11 -177.83 5.88 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.472 1.108 . . . . 71.219999999999999 111.011 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 27.8 mtmt -137.31 -50.38 0.63 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.557 1.161 . . . . 64.099999999999994 109.332 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.413 ' O ' ' HE3' ' A' ' 1' ' ' MET . 85.6 p -67.95 174.64 3.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 61.210000000000001 109.974 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.477 ' OG1' ' CG ' ' A' ' 47' ' ' ARG . 2.0 p -137.73 -85.46 0.3 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.552 1.157 . . . . 74.439999999999998 110.417 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.591 ' O ' ' CE1' ' A' ' 9' ' ' TYR . 9.5 t80 -64.05 -10.59 22.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 75.109999999999999 110.995 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 13.1 tmtt? -98.44 -15.02 19.8 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 72.109999999999999 109.194 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.874 ' HG ' ' CE ' ' A' ' 1' ' ' MET . 0.5 OUTLIER -110.16 5.15 21.71 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.527 1.142 . . . . 63.350000000000001 109.998 -179.921 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.553 ' HB3' ' CE2' ' A' ' 9' ' ' TYR . 0.0 OUTLIER -82.35 0.7 40.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 75.049999999999997 110.28 -179.945 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.591 ' CE1' ' O ' ' A' ' 5' ' ' PHE . 0.3 OUTLIER 179.55 169.77 0.61 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 62.130000000000003 110.98 -179.94 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 178.95 6.58 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.462 1.77 . . . . 44.439999999999998 110.987 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.57 ' HB2' HH21 ' A' ' 14' ' ' ARG . 4.4 t80 -71.08 -39.56 72.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 73.120000000000005 111.031 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.435 ' HA ' ' CD ' ' A' ' 15' ' ' LYS . 46.8 mt-10 -64.14 -10.78 24.86 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.513 1.133 . . . . 72.25 110.312 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -86.47 -58.14 2.73 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.501 1.125 . . . . 72.310000000000002 109.369 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.802 ' NH1' ' HH ' ' A' ' 106' ' ' TYR . 8.2 ptt180 -63.04 -45.08 93.95 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.483 1.115 . . . . 72.400000000000006 110.371 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.476 ' N ' ' CG ' ' A' ' 14' ' ' ARG . 39.0 pttt -47.4 -40.16 17.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.13 . . . . 63.020000000000003 109.255 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -68.36 -34.88 76.88 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.523 1.139 . . . . 52.130000000000003 109.311 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.7 ' HG2' HG11 ' B' ' 618' ' ' VAL . 24.8 tp10 -64.32 -39.81 94.65 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 64.25 110.361 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -74.95 -16.99 60.62 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.559 1.162 . . . . 73.400000000000006 110.054 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -75.09 -25.07 58.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.452 1.095 . . . . 72.310000000000002 110.309 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 13.3 ptm180 -101.82 -31.5 10.71 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.493 1.121 . . . . 74.030000000000001 110.281 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 3.9 mt -64.28 -19.6 25.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.488 1.117 . . . . 70.129999999999995 109.291 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -76.34 -14.43 60.09 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.474 1.109 . . . . 53.32 109.267 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -105.24 -39.43 6.19 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.46 1.1 . . . . 74.040000000000006 109.362 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.535 ' HB3' ' CE1' ' A' ' 25' ' ' PHE . 15.0 mmm-85 -68.07 -49.07 63.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.556 1.16 . . . . 72.200000000000003 110.231 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.535 ' CE1' ' HB3' ' A' ' 24' ' ' ARG . 0.9 OUTLIER -133.92 77.47 62.54 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.571 1.169 . . . . 64.319999999999993 110.943 -179.966 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 -24.95 12.32 Favored 'Trans proline' 0 C--N 1.358 1.068 0 O-C-N 124.528 1.804 . . . . 74.200000000000003 110.961 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 36.2 m-20 -91.94 21.97 4.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.438 1.087 . . . . 72.439999999999998 109.207 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.576 ' HB3' HD11 ' A' ' 50' ' ' LEU . 9.3 mmt-85 -114.41 -177.45 3.13 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.451 1.095 . . . . 75.129999999999995 110.245 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.642 HG23 ' CB ' ' A' ' 95' ' ' TYR . 35.8 mm -146.31 98.66 4.28 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.545 1.153 . . . . 73.209999999999994 109.351 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.567 ' HD2' ' CE1' ' A' ' 95' ' ' TYR . 18.4 Cg_endo -74.93 141.26 26.64 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.387 1.73 . . . . 64.019999999999996 110.97 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.777 HG21 ' HB3' ' A' ' 105' ' ' LEU . 5.5 p -159.92 152.77 5.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 75.340000000000003 109.309 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.651 ' CD1' ' HZ1' ' A' ' 48' ' ' LYS . 21.8 mm -113.06 115.48 49.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.438 1.086 . . . . 65.239999999999995 109.319 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 1.008 ' HG ' HD13 ' A' ' 64' ' ' ILE . 1.0 OUTLIER -90.38 111.88 23.28 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 43.200000000000003 108.324 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.703 ' HA ' HH21 ' A' ' 47' ' ' ARG . 87.7 tt0 -113.44 153.93 27.82 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.509 1.131 . . . . 74.129999999999995 110.246 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.96 ' HZ1' ' CB ' ' A' ' 39' ' ' SER . 0.4 OUTLIER -93.17 121.29 34.38 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.444 1.09 . . . . 74.109999999999999 109.406 179.969 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.455 ' CB ' ' HB3' ' A' ' 110' ' ' SER . . . -52.93 172.83 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.136 . . . . 61.539999999999999 109.299 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.407 ' HG3' ' N ' ' A' ' 38' ' ' LYS . 18.7 pt-20 -96.73 -48.0 5.66 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.105 . . . . 72.099999999999994 110.318 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.455 ' C ' ' HE2' ' A' ' 112' ' ' GLU . 8.8 mttp -52.38 -47.12 66.38 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.493 1.12 . . . . 70.129999999999995 109.289 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.96 ' CB ' ' HZ1' ' A' ' 35' ' ' LYS . 0.1 OUTLIER -48.58 173.6 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.427 1.079 . . . . 61.219999999999999 110.028 -179.93 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -137.61 19.1 2.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 65.120000000000005 109.301 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.62 HG23 ' OG ' ' A' ' 39' ' ' SER . 0.1 OUTLIER -81.68 168.26 25.55 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.465 1.103 . . . . 75.430000000000007 109.221 -179.925 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . 0.551 ' O ' HG21 ' A' ' 68' ' ' ILE . 18.2 Cg_endo -75.01 125.48 9.34 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.51 1.795 . . . . 64.400000000000006 111.012 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -63.82 148.6 48.91 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.546 1.153 . . . . 74.430000000000007 110.349 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 1.042 ' CD1' ' HH ' ' A' ' 49' ' ' TYR . 11.7 tt -69.01 170.37 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.581 1.176 . . . . 73.530000000000001 109.275 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . 0.439 ' O ' ' NH1' ' B' ' 613' ' ' ARG . 15.4 t70 -75.06 -44.69 46.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 74.129999999999995 109.304 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.649 ' HZ2' ' HD2' ' A' ' 67' ' ' ARG . 0.1 OUTLIER -144.46 168.42 20.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.125 . . . . 72.310000000000002 109.258 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.74 HH21 ' H ' ' A' ' 35' ' ' LYS . 0.7 OUTLIER -112.1 94.02 4.74 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.469 1.106 . . . . 73.310000000000002 110.312 -179.973 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.651 ' HZ1' ' CD1' ' A' ' 32' ' ' ILE . 0.0 OUTLIER -167.1 121.02 1.0 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.452 1.095 . . . . 65.409999999999997 109.326 -179.956 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 1.042 ' HH ' ' CD1' ' A' ' 44' ' ' ILE . 28.1 m-85 -146.9 108.46 4.31 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.504 1.128 . . . . 72.340000000000003 111.049 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.576 HD11 ' HB3' ' A' ' 28' ' ' ARG . 15.3 tp -104.41 76.72 1.33 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 74.329999999999998 109.248 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.715 HG11 ' CD1' ' A' ' 60' ' ' PHE . 28.8 m -77.19 157.25 81.19 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.396 1.06 . . . . 63.399999999999999 109.247 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 175.62 11.0 Favored 'Trans proline' 0 C--N 1.361 1.213 0 O-C-N 124.443 1.76 . . . . 72.439999999999998 111.029 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -87.99 17.96 4.57 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.585 1.178 . . . . 72.450000000000003 109.325 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -117.63 -38.14 3.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 72.409999999999997 109.311 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.501 ' CD1' ' O ' ' B' ' 630' ' ' ALA . 0.4 OUTLIER -57.48 133.8 55.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 73.349999999999994 109.22 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -94.25 -173.85 3.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.577 1.173 . . . . 33.539999999999999 110.397 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 2.6 t -73.37 -42.54 57.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.427 1.079 . . . . 60.439999999999998 109.278 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -72.25 -6.6 65.5 Favored Glycine 0 CA--C 1.529 0.927 0 O-C-N 124.454 1.096 . . . . 73.230000000000004 111.058 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . 0.419 ' CB ' ' HG ' ' A' ' 55' ' ' LEU . 14.5 mt-30 -99.29 -23.22 15.26 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 0.776 . . . . 74.530000000000001 110.312 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.715 ' CD1' HG11 ' A' ' 51' ' ' VAL . 34.1 t80 -76.68 -54.2 6.97 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.508 1.13 . . . . 73.030000000000001 110.96 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.754 HG13 ' CG2' ' A' ' 76' ' ' ILE . 90.7 t -40.08 -36.89 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.475 1.109 . . . . 73.010000000000005 109.29 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.581 ' CD1' ' HD3' ' A' ' 66' ' ' LYS . 0.5 OUTLIER -56.61 -54.53 44.98 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.497 1.123 . . . . 74.540000000000006 111.015 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 1.008 HG22 ' C ' ' B' ' 630' ' ' ALA . 77.5 t -58.63 -39.56 76.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.11 . . . . 65.319999999999993 109.289 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 1.008 HD13 ' HG ' ' A' ' 33' ' ' CYS . 16.0 mm -59.45 -48.35 87.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.478 1.111 . . . . 74.049999999999997 109.334 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.478 HH21 HG22 ' A' ' 76' ' ' ILE . 9.7 tpp85 -61.97 -33.52 74.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 63.25 110.35 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.581 ' HD3' ' CD1' ' A' ' 62' ' ' TYR . 0.1 OUTLIER -61.8 -53.45 55.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 71.450000000000003 109.235 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.649 ' HD2' ' HZ2' ' A' ' 46' ' ' LYS . 1.2 mmp_? -48.6 -66.51 0.39 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.504 1.127 . . . . 74.150000000000006 110.31 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.815 HD12 HD13 ' A' ' 76' ' ' ILE . 5.5 pt -69.3 -7.65 8.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.505 1.128 . . . . 74.209999999999994 109.285 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' MET . . . . . 0.511 ' CG ' ' O ' ' A' ' 68' ' ' ILE . 6.7 ptp 43.47 41.18 3.13 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.495 1.122 . . . . 64.340000000000003 110.964 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.492 ' HA ' HD12 ' A' ' 70' ' ' LEU . 5.0 tp -62.28 141.03 96.31 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.597 1.186 . . . . 62.43 109.364 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.91 172.56 16.09 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.508 1.793 . . . . 75.310000000000002 111.022 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -2.87 13.11 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.496 1.788 . . . . 73.310000000000002 110.991 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -86.1 3.18 43.71 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.563 1.164 . . . . 75.109999999999999 110.324 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 10.5 mttp -133.73 -178.97 5.25 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.477 1.11 . . . . 74.239999999999995 109.253 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -139.15 177.11 8.14 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.462 1.101 . . . . 54.009999999999998 109.299 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.815 HD13 HD12 ' A' ' 68' ' ' ILE . 1.0 OUTLIER -161.83 116.51 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.439 1.087 . . . . 71.129999999999995 109.279 -179.951 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . 0.471 ' CE1' ' HB2' ' A' ' 113' ' ' ASN . 82.4 m-85 -116.35 140.99 48.74 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 70.230000000000004 111.012 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.648 ' CG1' HG23 ' A' ' 61' ' ' VAL . 5.1 mm -84.18 150.83 3.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 O-C-N 124.558 1.162 . . . . 70.040000000000006 109.297 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . 0.522 ' CD1' HD12 ' A' ' 84' ' ' LEU . 2.8 m-85 -145.8 117.38 8.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 63.119999999999997 110.998 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.685 HG11 ' CD2' ' A' ' 98' ' ' HIS . 1.5 t -119.45 110.65 30.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.573 1.171 . . . . 75.209999999999994 109.365 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . 0.497 ' O ' ' CB ' ' A' ' 82' ' ' ASP . 2.9 m-80 66.78 21.7 10.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.099 . . . . 74.420000000000002 109.29 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . 0.497 ' CB ' ' O ' ' A' ' 81' ' ' ASN . 4.1 m-20 81.66 21.14 0.33 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 75.129999999999995 109.304 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' THR . . . . . 0.618 HG23 ' O ' ' A' ' 80' ' ' VAL . 0.7 OUTLIER -124.58 135.08 52.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.145 . . . . 74.25 110.427 179.972 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.618 HD23 HD22 ' A' ' 113' ' ' ASN . 0.2 OUTLIER -95.6 111.14 54.55 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 64.219999999999999 109.285 -179.965 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 163.52 35.2 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.483 1.78 . . . . 73.140000000000001 111.007 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . 0.756 ' HG2' ' HB2' ' A' ' 89' ' ' ALA . 18.0 Cg_endo -75.08 -167.05 0.39 Allowed 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.493 1.786 . . . . 70.439999999999998 110.95 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 2.2 p -97.1 -35.34 10.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 62.409999999999997 110.365 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -82.39 5.28 20.89 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.458 1.099 . . . . 71.439999999999998 109.302 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 1.072 ' HB1' HD12 ' A' ' 94' ' ' ILE . . . -76.06 61.0 1.49 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.466 1.104 . . . . 73.430000000000007 109.292 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.593 ' C ' ' O ' ' A' ' 89' ' ' ALA . 0.3 OUTLIER -24.58 124.11 0.05 OUTLIER 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.537 1.148 . . . . 71.209999999999994 109.283 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' MET . . . . . 0.489 ' HE1' ' HB3' ' A' ' 91' ' ' MET . 40.4 mmm -49.42 -21.29 0.87 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 71.209999999999994 111.004 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 3.2 p -68.54 -48.16 65.02 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.423 1.077 . . . . 61.219999999999999 109.932 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -73.56 -13.34 61.01 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.561 1.163 . . . . 70.439999999999998 109.379 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 1.072 HD12 ' HB1' ' A' ' 89' ' ' ALA . 18.3 mm -87.02 -43.46 15.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.458 1.099 . . . . 61.530000000000001 109.306 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . 0.69 ' CD1' HD21 ' A' ' 105' ' ' LEU . 2.2 t80 -76.02 -4.43 41.19 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.604 1.19 . . . . 52.140000000000001 111.039 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . 0.432 ' O ' ' CG ' ' A' ' 96' ' ' GLN . 1.6 tt0 -102.81 -10.78 18.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.562 1.164 . . . . 73.329999999999998 110.215 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -120.81 -6.16 9.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 70.129999999999995 110.254 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . 0.73 ' HB2' HD11 ' A' ' 105' ' ' LEU . 10.7 m-70 -122.11 11.29 10.18 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.526 1.141 . . . . 62.030000000000001 109.571 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.495 ' HB3' ' O ' ' A' ' 95' ' ' TYR . 0.1 OUTLIER -67.37 157.83 33.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 60.420000000000002 109.287 -179.974 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . 0.43 ' O ' ' N ' ' A' ' 103' ' ' GLY . 0.1 OUTLIER -130.75 175.37 9.09 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.527 1.142 . . . . 64.510000000000005 109.275 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 36.9 mtmt -45.89 -50.45 14.43 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.491 1.119 . . . . 74.239999999999995 109.252 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . 0.431 ' HB3' ' CE2' ' A' ' 11' ' ' PHE . 0.4 OUTLIER -63.5 -31.77 73.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 52.350000000000001 109.234 -179.942 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . 0.43 ' N ' ' O ' ' A' ' 100' ' ' ASP . . . 100.62 -37.75 3.44 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.456 1.097 . . . . 42.140000000000001 110.979 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . 0.642 ' CE1' ' NZ ' ' A' ' 48' ' ' LYS . 2.9 m-85 -58.04 121.83 11.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 0.747 . . . . 73.230000000000004 110.972 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.777 ' HB3' HG21 ' A' ' 31' ' ' VAL . 0.3 OUTLIER -63.54 144.63 56.83 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.412 1.07 . . . . 74.420000000000002 109.302 179.945 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . 0.802 ' HH ' ' NH1' ' A' ' 14' ' ' ARG . 34.7 m-85 -121.59 88.14 2.88 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 64.400000000000006 111.007 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . 0.592 HG23 HG23 ' A' ' 78' ' ' ILE . 6.0 p -101.0 170.43 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.541 1.15 . . . . 71.319999999999993 109.289 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' THR . . . . . 0.523 HG21 ' HB3' ' A' ' 34' ' ' GLU . 0.2 OUTLIER -152.92 137.16 16.53 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.514 1.134 . . . . 74.209999999999994 110.402 -179.969 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' TYR . . . . . 0.767 ' CD2' HD12 ' A' ' 76' ' ' ILE . 41.3 p90 -118.57 134.7 54.9 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.444 1.09 . . . . 63.539999999999999 111.058 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' SER . . . . . 0.455 ' HB3' ' CB ' ' A' ' 36' ' ' ALA . 2.9 p -137.99 135.07 35.61 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.45 1.094 . . . . 73.5 110.043 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -57.53 -16.04 20.22 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.533 1.146 . . . . 54.340000000000003 110.932 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . 0.455 ' HE2' ' C ' ' A' ' 38' ' ' LYS . 4.4 pt-20 -102.22 125.33 48.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.45 0.736 . . . . 65.25 110.275 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . 0.618 HD22 HD23 ' A' ' 84' ' ' LEU . 9.9 t-20 -89.62 15.12 10.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.125 . . . . 71.129999999999995 109.296 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' THR . . . . . 0.587 HG23 ' H ' ' A' ' 115' ' ' PHE . 27.5 m -99.79 177.94 4.98 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.544 1.153 . . . . 73.219999999999999 110.364 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . 0.619 ' N ' ' CD1' ' A' ' 115' ' ' PHE . 0.2 OUTLIER -125.78 97.3 5.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.443 1.089 . . . . 74.329999999999998 111.036 179.946 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.054 0 O-C-N 124.522 1.139 . . . . 63.520000000000003 110.981 179.985 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 597' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.029 0 N-CA-C 110.987 -0.845 . . . . 75.340000000000003 110.987 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 598' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 178.41 7.27 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.52 1.8 . . . . 62.549999999999997 111.037 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 599' ' ' HIS . . . . . . . . . . . . . 55.6 p-80 -97.99 103.93 15.91 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.451 1.094 . . . . 61.329999999999998 109.566 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 600' ' ' MET . . . . . . . . . . . . . 1.3 mtt -133.4 178.72 6.7 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.501 1.126 . . . . 71.310000000000002 111.007 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 601' ' ' ILE . . . . . 0.729 HG22 ' H ' ' B' ' 602' ' ' SER . 0.5 OUTLIER -135.42 179.77 3.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 72.439999999999998 109.304 -179.949 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 602' ' ' SER . . . . . 0.729 ' H ' HG22 ' B' ' 601' ' ' ILE . 4.3 t -143.56 159.71 41.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 55.439999999999998 109.911 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 603' ' ' GLY . . . . . . . . . . . . . . . 130.65 -10.74 5.76 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.472 1.108 . . . . 71.310000000000002 111.004 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 604' ' ' LEU . . . . . . . . . . . . . 2.8 tp -97.83 125.48 42.7 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.449 0.735 . . . . 63.329999999999998 109.285 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 605' ' ' SER . . . . . . . . . . . . . 19.0 m -131.36 169.74 15.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.422 1.076 . . . . 73.049999999999997 110.055 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 606' ' ' VAL . . . . . 0.462 ' CG2' ' N ' ' B' ' 607' ' ' ILE . 0.9 OUTLIER -158.17 162.6 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 74.109999999999999 109.332 -179.914 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 607' ' ' ILE . . . . . 0.499 HG22 ' N ' ' B' ' 608' ' ' LYS . 5.6 mm -62.28 163.9 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 71.450000000000003 109.334 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 608' ' ' LYS . . . . . 0.499 ' N ' HG22 ' B' ' 607' ' ' ILE . 0.0 OUTLIER -127.75 139.35 52.73 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.542 1.152 . . . . 71.519999999999996 109.326 179.979 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 609' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -117.36 -174.21 2.56 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.443 1.09 . . . . 75.510000000000005 110.24 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 610' ' ' GLU . . . . . 0.833 ' O ' HG13 ' B' ' 611' ' ' VAL . 11.6 mm-40 -47.45 173.03 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.557 1.161 . . . . 74.310000000000002 110.255 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 611' ' ' VAL . . . . . 0.833 HG13 ' O ' ' B' ' 610' ' ' GLU . 0.7 OUTLIER -166.57 159.42 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.493 1.12 . . . . 74.530000000000001 109.354 179.95 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 612' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -131.99 -69.14 0.61 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.481 1.113 . . . . 72.219999999999999 110.264 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 613' ' ' ARG . . . . . 0.439 ' NH1' ' O ' ' A' ' 45' ' ' ASP . 16.8 ptp180 -117.76 -37.01 3.52 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.588 1.18 . . . . 71.310000000000002 110.368 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 614' ' ' LEU . . . . . 0.664 HD23 ' HZ3' ' B' ' 621' ' ' TRP . 2.7 pp -114.5 139.58 49.44 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.574 1.172 . . . . 75.010000000000005 109.295 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 615' ' ' GLY . . . . . 0.408 ' O ' ' O ' ' B' ' 616' ' ' ASN . . . -131.62 -42.68 0.18 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.519 1.137 . . . . 55.229999999999997 110.942 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 616' ' ' ASN . . . . . 0.411 ' O ' ' C ' ' B' ' 617' ' ' ASP . 6.0 t30 -53.04 -173.81 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.531 0.783 . . . . 73.319999999999993 109.251 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 617' ' ' ASP . . . . . 0.411 ' C ' ' O ' ' B' ' 616' ' ' ASN . 76.6 m-20 -39.42 -89.32 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.56 1.163 . . . . 64.209999999999994 109.384 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 618' ' ' VAL . . . . . 0.7 HG11 ' HG2' ' A' ' 17' ' ' GLU . 0.1 OUTLIER -153.51 135.88 6.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 73.239999999999995 109.319 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 619' ' ' PHE . . . . . 0.502 ' HA ' ' CZ3' ' B' ' 621' ' ' TRP . 5.8 m-85 72.5 32.48 1.58 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.122 . . . . 72.230000000000004 111.054 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 620' ' ' GLU . . . . . . . . . . . . . 1.6 pp20? -50.08 -22.21 1.55 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 53.420000000000002 110.278 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 621' ' ' TRP . . . . . 0.664 ' HZ3' HD23 ' B' ' 614' ' ' LEU . 7.0 p90 -90.69 -179.38 5.52 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 107.974 -1.121 . . . . 73.319999999999993 107.974 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 622' ' ' GLU . . . . . 0.615 ' O ' ' CD1' ' B' ' 621' ' ' TRP . 0.2 OUTLIER -68.37 173.45 4.87 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.596 1.185 . . . . 64.150000000000006 110.326 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 623' ' ' ASP . . . . . 0.86 ' CG ' ' HE2' ' B' ' 628' ' ' GLU . 45.5 m-20 59.86 70.99 0.6 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 72.319999999999993 109.308 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 624' ' ' ASP . . . . . . . . . . . . . 10.2 t0 -79.95 -82.52 0.11 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.587 1.179 . . . . 63.210000000000001 109.27 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 625' ' ' GLU . . . . . 0.419 ' O ' ' C ' ' B' ' 626' ' ' SER . 1.7 pt-20 -84.76 9.65 13.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.578 1.174 . . . . 75.099999999999994 110.313 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 626' ' ' SER . . . . . 0.732 ' HG ' ' HB3' ' B' ' 623' ' ' ASP . 13.2 p -38.02 155.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 72.439999999999998 110.066 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 627' ' ' ASP . . . . . . . . . . . . . 22.5 p-10 -82.87 5.03 23.12 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.604 1.19 . . . . 61.450000000000003 109.342 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 628' ' ' GLU . . . . . 0.86 ' HE2' ' CG ' ' B' ' 623' ' ' ASP . 5.9 pt-20 -76.06 -11.21 59.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.442 1.089 . . . . 70.040000000000006 110.331 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 629' ' ' ILE . . . . . 0.608 HD13 ' C ' ' B' ' 629' ' ' ILE . 1.5 pp -109.27 27.75 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.536 1.148 . . . . 61.409999999999997 109.313 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 630' ' ' ALA . . . . . 1.008 ' C ' HG22 ' A' ' 63' ' ' VAL . . . . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.54 1.15 . . . . 73.25 109.332 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 0' ' ' HIS . . . . . . . . . . . . . 68.2 m80 . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.562 -0.533 . . . . 72.510000000000005 109.562 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 35.8 mtp -80.95 -165.85 1.0 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.112 . . . . 71.219999999999999 111.003 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.409 ' HZ3' ' HG3' ' A' ' 2' ' ' LYS . 0.0 OUTLIER -126.68 -49.92 1.5 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.618 1.199 . . . . 64.099999999999994 109.246 -179.953 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.441 ' CB ' ' HD3' ' A' ' 47' ' ' ARG . 13.1 m -105.53 154.34 20.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 61.210000000000001 109.948 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.776 ' HG1' ' HA ' ' A' ' 46' ' ' LYS . 2.8 p -130.68 -77.06 0.53 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 74.439999999999998 110.411 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.6 ' CZ ' HG12 ' B' ' 618' ' ' VAL . 0.8 OUTLIER -47.43 -23.74 0.67 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.49 1.119 . . . . 75.109999999999999 111.001 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.482 ' HG3' ' CZ ' ' A' ' 14' ' ' ARG . 13.2 tttm -100.46 -26.56 13.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.112 . . . . 72.109999999999999 109.288 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.442 ' N ' ' O ' ' A' ' 4' ' ' THR . 0.6 OUTLIER -72.8 -3.67 26.88 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.608 1.193 . . . . 63.350000000000001 110.047 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.722 ' HE2' ' HB2' ' B' ' 614' ' ' LEU . 35.6 tt0 -85.05 -56.22 3.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 75.049999999999997 110.267 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.596 ' OH ' ' CE2' ' A' ' 5' ' ' PHE . 0.3 OUTLIER -121.06 168.93 9.81 Favored Pre-proline 0 C--N 1.324 -0.528 0 O-C-N 124.501 1.126 . . . . 62.130000000000003 111.003 179.972 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.419 ' CG ' ' HG3' ' B' ' 609' ' ' GLN . 18.1 Cg_endo -75.03 -176.76 3.04 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.547 1.814 . . . . 44.439999999999998 110.969 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.53 ' C ' ' CD1' ' A' ' 11' ' ' PHE . 0.2 OUTLIER -70.84 -36.58 72.95 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.129 . . . . 73.120000000000005 110.963 -179.961 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.521 ' HE2' HD13 ' B' ' 607' ' ' ILE . 26.4 mt-10 -59.18 -20.24 52.13 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 72.25 110.339 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.438 ' CB ' ' HB2' ' A' ' 9' ' ' TYR . 1.3 tpmt? -77.68 -22.7 50.14 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.141 . . . . 72.310000000000002 109.257 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.592 ' NH2' HH21 ' A' ' 47' ' ' ARG . 0.2 OUTLIER -91.34 -39.16 12.18 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.434 1.084 . . . . 72.400000000000006 110.212 -179.899 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.411 ' HZ1' ' HG2' ' A' ' 12' ' ' GLU . 40.5 pttt -60.99 -38.4 85.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 63.020000000000003 109.27 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -78.19 -21.32 50.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.103 . . . . 52.130000000000003 109.308 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.479 ' HG2' ' CG1' ' B' ' 618' ' ' VAL . 26.8 tp10 -75.32 -56.45 4.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 64.25 110.336 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 51.9 p -59.52 -15.74 19.95 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.613 1.195 . . . . 73.400000000000006 109.955 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -68.76 -23.34 64.31 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.492 1.12 . . . . 72.310000000000002 110.297 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 8.6 mtm180 -101.75 -37.98 8.07 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.514 1.134 . . . . 74.030000000000001 110.344 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 11.4 mt -59.16 -20.98 18.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.54 1.15 . . . . 70.129999999999995 109.292 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -76.2 -25.03 54.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.46 1.1 . . . . 53.32 109.289 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -92.9 -20.08 21.01 Favored 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.548 1.155 . . . . 74.040000000000006 109.283 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 7.1 mtp180 -90.12 -60.76 1.84 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 72.200000000000003 110.361 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -126.79 84.26 63.43 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 64.319999999999993 110.977 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 -24.5 12.85 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.588 1.836 . . . . 74.200000000000003 111.057 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.437 ' OD1' ' N ' ' A' ' 27' ' ' ASN . 0.1 OUTLIER -94.41 41.73 1.09 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.605 1.191 . . . . 72.439999999999998 109.333 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.503 ' O ' HD11 ' A' ' 29' ' ' ILE . 9.3 mmt85 -130.87 179.41 5.99 Favored 'General case' 0 C--N 1.327 -0.403 0 O-C-N 124.493 1.121 . . . . 75.129999999999995 110.187 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.503 HD11 ' O ' ' A' ' 28' ' ' ARG . 41.0 mm -141.4 97.59 6.76 Favored Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.475 1.11 . . . . 73.209999999999994 109.292 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.578 ' HD2' ' CE2' ' A' ' 95' ' ' TYR . 18.4 Cg_endo -75.03 126.45 9.96 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.514 1.797 . . . . 64.019999999999996 110.991 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.411 ' O ' ' O ' ' A' ' 49' ' ' TYR . 0.9 OUTLIER -137.16 173.73 12.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.51 1.131 . . . . 75.340000000000003 109.23 -179.965 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.688 HG22 ' HB2' ' A' ' 47' ' ' ARG . 6.2 mm -135.68 98.4 2.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.108 . . . . 65.239999999999995 109.297 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.989 ' HG ' HD13 ' A' ' 64' ' ' ILE . 1.7 t -73.64 136.65 43.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.543 1.152 . . . . 43.200000000000003 108.246 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.993 ' HB3' HG21 ' A' ' 108' ' ' THR . 8.5 tm-20 -144.37 161.13 39.76 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.491 1.119 . . . . 74.129999999999995 110.267 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.514 ' HG2' ' CE2' ' A' ' 109' ' ' TYR . 0.0 OUTLIER -117.44 128.45 55.02 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.439 1.087 . . . . 74.109999999999999 109.258 -179.949 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.42 ' N ' ' HD2' ' A' ' 35' ' ' LYS . . . -69.55 134.74 49.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.546 1.154 . . . . 61.539999999999999 109.338 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.426 ' CG ' ' N ' ' A' ' 38' ' ' LYS . 10.3 pt-20 -60.3 -53.25 59.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.571 1.169 . . . . 72.099999999999994 110.336 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.426 ' N ' ' CG ' ' A' ' 37' ' ' GLU . 10.6 mmmt -41.05 -45.0 2.56 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.632 1.207 . . . . 70.129999999999995 109.259 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.508 ' HG ' ' H ' ' A' ' 111' ' ' GLY . 2.1 t -43.76 166.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 61.219999999999999 109.986 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 33.0 t0 -113.87 -5.97 13.22 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.128 . . . . 65.120000000000005 109.247 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.613 HD12 ' CE2' ' A' ' 109' ' ' TYR . 0.1 OUTLIER -74.39 165.65 51.68 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.536 1.147 . . . . 75.430000000000007 109.362 179.953 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . 0.438 ' O ' HG21 ' A' ' 68' ' ' ILE . 18.2 Cg_endo -75.0 126.57 10.06 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.506 1.793 . . . . 64.400000000000006 110.983 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -63.47 145.22 56.06 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.464 1.103 . . . . 74.430000000000007 110.224 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 1.016 HD12 ' HH ' ' A' ' 49' ' ' TYR . 10.5 tt -68.82 160.94 4.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.432 1.083 . . . . 73.530000000000001 109.209 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . 0.413 ' OD2' ' CD ' ' A' ' 46' ' ' LYS . 0.6 OUTLIER -64.27 -45.65 87.1 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.534 1.146 . . . . 74.129999999999995 109.293 179.951 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.776 ' HA ' ' HG1' ' A' ' 4' ' ' THR . 0.0 OUTLIER -153.81 163.03 40.72 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.459 1.099 . . . . 72.310000000000002 109.256 -179.905 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.688 ' HB2' HG22 ' A' ' 32' ' ' ILE . 9.2 ptm180 -109.48 95.49 5.66 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.463 1.102 . . . . 73.310000000000002 110.395 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.574 ' HB2' ' CD2' ' A' ' 5' ' ' PHE . 25.6 tptt -166.53 106.91 0.66 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 65.409999999999997 109.275 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 1.016 ' HH ' HD12 ' A' ' 44' ' ' ILE . 15.9 m-85 -133.36 150.46 51.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 72.340000000000003 111.074 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.48 HD13 ' HA ' ' A' ' 30' ' ' PRO . 6.9 tp -135.2 77.9 1.7 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.444 1.09 . . . . 74.329999999999998 109.311 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.736 HG11 ' CD1' ' A' ' 60' ' ' PHE . 16.0 m -79.6 151.3 74.22 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.501 1.126 . . . . 63.399999999999999 109.257 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . 0.413 ' HD3' ' CB ' ' B' ' 630' ' ' ALA . 18.1 Cg_endo -75.06 -178.24 4.04 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.539 1.81 . . . . 72.439999999999998 110.879 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -93.81 17.84 11.35 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.434 1.083 . . . . 72.450000000000003 109.277 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.523 ' O ' ' CD2' ' A' ' 90' ' ' LEU . 0.2 OUTLIER -118.66 -35.58 3.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.632 1.207 . . . . 72.409999999999997 109.283 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.614 HD13 ' HB1' ' B' ' 630' ' ' ALA . 0.4 OUTLIER -60.71 132.42 53.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.417 1.073 . . . . 73.349999999999994 109.285 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.705 HG23 ' CD2' ' A' ' 90' ' ' LEU . 9.4 p -93.8 172.93 7.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.099 . . . . 33.539999999999999 110.382 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.4 ' HB ' ' O ' ' A' ' 86' ' ' PRO . 2.3 t -58.77 -55.59 22.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.582 1.176 . . . . 60.439999999999998 109.306 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -60.24 -13.99 31.1 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.568 1.167 . . . . 73.230000000000004 110.982 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . 0.457 ' CG ' ' OG1' ' A' ' 56' ' ' THR . 3.6 mm100 -89.14 -26.47 21.3 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.504 0.767 . . . . 74.530000000000001 110.292 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.736 ' CD1' HG11 ' A' ' 51' ' ' VAL . 55.1 t80 -76.1 -49.54 17.13 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.426 1.079 . . . . 73.030000000000001 110.994 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.813 HG13 ' CG2' ' A' ' 76' ' ' ILE . 48.4 t -41.77 -41.11 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.543 1.152 . . . . 73.010000000000005 109.353 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -51.76 -44.59 63.41 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.444 1.09 . . . . 74.540000000000006 111.004 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.603 HG22 ' CA ' ' B' ' 630' ' ' ALA . 68.8 t -65.23 -45.37 93.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.368 1.043 . . . . 65.319999999999993 109.333 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.989 HD13 ' HG ' ' A' ' 33' ' ' CYS . 4.4 mm -60.47 -33.32 53.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 74.049999999999997 109.342 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.589 HH21 HG22 ' A' ' 76' ' ' ILE . 9.2 tpp85 -79.98 -3.28 47.66 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 63.25 110.25 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 1.2 mttm -93.46 -46.88 7.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.559 1.162 . . . . 71.450000000000003 109.342 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.428 ' HG3' HD12 ' A' ' 44' ' ' ILE . 4.2 mmp_? -52.7 -58.18 7.68 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.559 1.162 . . . . 74.150000000000006 110.264 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.498 ' O ' ' CG ' ' A' ' 69' ' ' MET . 7.1 pt -83.61 -3.47 7.62 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 O-C-N 124.519 1.137 . . . . 74.209999999999994 109.331 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' MET . . . . . 0.498 ' CG ' ' O ' ' A' ' 68' ' ' ILE . 4.9 ptp 42.77 44.03 3.64 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.438 1.086 . . . . 64.340000000000003 110.981 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.479 HD12 ' HA ' ' A' ' 70' ' ' LEU . 5.0 tp -62.59 140.91 96.9 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.641 1.213 . . . . 62.43 109.316 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 169.82 21.78 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.441 1.758 . . . . 75.310000000000002 111.002 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -74.94 -0.43 9.93 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.555 1.818 . . . . 73.310000000000002 110.999 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -92.0 6.6 45.74 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.544 1.153 . . . . 75.109999999999999 110.269 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.05 -179.37 4.13 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.521 1.138 . . . . 74.239999999999995 109.308 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -138.54 143.68 39.58 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.476 1.11 . . . . 54.009999999999998 109.248 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.813 ' CG2' HG13 ' A' ' 61' ' ' VAL . 2.1 tt -138.17 121.44 20.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.442 1.089 . . . . 71.129999999999995 109.297 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . 0.65 ' HB3' HD22 ' A' ' 84' ' ' LEU . 90.9 m-85 -119.38 134.87 55.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.442 1.089 . . . . 70.230000000000004 110.999 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.58 ' CG2' ' CG2' ' A' ' 107' ' ' VAL . 1.9 mm -84.39 138.03 19.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 70.040000000000006 109.268 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . 0.489 ' CE1' ' HB3' ' A' ' 115' ' ' PHE . 6.5 m-85 -127.28 125.2 40.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 63.119999999999997 111.056 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.759 ' O ' HG23 ' A' ' 83' ' ' THR . 2.6 t -130.16 105.85 12.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.54 1.15 . . . . 75.209999999999994 109.34 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . 0.478 ' ND2' ' CE1' ' A' ' 98' ' ' HIS . 1.5 m-80 71.2 21.93 4.57 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.487 1.117 . . . . 74.420000000000002 109.275 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . 0.465 ' CB ' ' O ' ' A' ' 81' ' ' ASN . 1.0 OUTLIER 80.69 24.51 0.32 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.52 1.138 . . . . 75.129999999999995 109.274 179.964 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' THR . . . . . 0.759 HG23 ' O ' ' A' ' 80' ' ' VAL . 1.2 t -125.51 148.33 48.92 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.408 1.067 . . . . 74.25 110.429 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.65 HD22 ' HB3' ' A' ' 77' ' ' PHE . 1.8 mt -106.15 105.35 53.51 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 64.219999999999999 109.252 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.1 153.24 41.15 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.551 1.816 . . . . 73.140000000000001 111.024 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . 0.721 ' HD2' ' HB2' ' A' ' 89' ' ' ALA . 18.6 Cg_endo -74.88 177.01 9.11 Favored 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.535 1.808 . . . . 70.439999999999998 111.049 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 20.8 p -78.29 -33.24 49.54 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.424 1.078 . . . . 62.409999999999997 110.421 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -79.63 3.37 19.24 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 124.531 1.144 . . . . 71.439999999999998 109.266 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 1.059 ' HB1' HD12 ' A' ' 94' ' ' ILE . . . -77.49 60.34 2.07 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.375 1.047 . . . . 73.430000000000007 109.342 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.705 ' CD2' HG23 ' A' ' 56' ' ' THR . 12.9 mt -28.98 117.94 0.12 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.44 1.088 . . . . 71.209999999999994 109.334 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' MET . . . . . 0.453 ' HB3' ' HE1' ' A' ' 91' ' ' MET . 49.5 mmm -38.55 -28.92 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.506 1.129 . . . . 71.209999999999994 110.993 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' SER . . . . . 0.454 ' N ' ' O ' ' A' ' 90' ' ' LEU . 1.0 OUTLIER -66.7 -51.92 50.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.457 1.098 . . . . 61.219999999999999 109.948 -179.959 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . 0.448 ' N ' ' O ' ' A' ' 90' ' ' LEU . . . -68.37 -9.41 47.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.541 1.151 . . . . 70.439999999999998 109.292 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 1.059 HD12 ' HB1' ' A' ' 89' ' ' ALA . 24.1 mm -90.8 -47.07 14.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.457 1.098 . . . . 61.530000000000001 109.247 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . 0.808 ' CD2' HD21 ' A' ' 105' ' ' LEU . 7.1 t80 -70.04 -6.31 32.68 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.557 1.161 . . . . 52.140000000000001 111.073 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . 0.448 ' O ' ' CG ' ' A' ' 96' ' ' GLN . 2.3 tp60 -101.01 -9.84 21.08 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.41 1.069 . . . . 73.329999999999998 110.293 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -116.93 -11.46 10.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.14 . . . . 70.129999999999995 110.243 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . 0.478 ' CE1' ' ND2' ' A' ' 81' ' ' ASN . 36.8 m-70 -125.97 16.91 7.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.45 1.093 . . . . 62.030000000000001 109.668 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.48 ' HB3' ' O ' ' A' ' 95' ' ' TYR . 0.1 OUTLIER -55.46 156.51 4.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.548 1.155 . . . . 60.420000000000002 109.195 -179.875 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -125.02 170.16 11.42 Favored 'General case' 0 C--N 1.326 -0.413 0 O-C-N 124.485 1.116 . . . . 64.510000000000005 109.269 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 32.6 mtmt -60.03 -27.04 66.57 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 74.239999999999995 109.347 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . 0.493 ' HB3' ' CE2' ' A' ' 11' ' ' PHE . 0.5 OUTLIER -86.19 -15.92 39.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.433 1.083 . . . . 52.350000000000001 109.243 -179.972 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . 0.591 ' O ' ' CE2' ' A' ' 95' ' ' TYR . . . 90.63 -36.45 3.59 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.513 1.133 . . . . 42.140000000000001 110.948 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 18.4 m-85 -64.12 131.67 48.19 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.429 0.723 . . . . 73.230000000000004 110.991 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.808 HD21 ' CD2' ' A' ' 95' ' ' TYR . 0.2 OUTLIER -75.55 147.88 39.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.607 1.192 . . . . 74.420000000000002 109.414 179.964 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 60.0 m-85 -121.95 95.24 4.58 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.415 1.072 . . . . 64.400000000000006 111.038 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . 0.666 HG13 ' HA ' ' A' ' 33' ' ' CYS . 2.6 p -105.23 165.57 3.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.527 1.142 . . . . 71.319999999999993 109.372 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' THR . . . . . 0.993 HG21 ' HB3' ' A' ' 34' ' ' GLU . 0.4 OUTLIER -154.57 118.2 4.59 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.122 . . . . 74.209999999999994 110.382 179.967 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' TYR . . . . . 0.662 ' CD2' HD12 ' A' ' 76' ' ' ILE . 32.6 p90 -97.76 137.49 36.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.455 1.097 . . . . 63.539999999999999 110.976 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 1.2 p -132.3 158.22 42.42 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.532 1.145 . . . . 73.5 110.001 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . 0.508 ' H ' ' HG ' ' A' ' 39' ' ' SER . . . -81.87 0.95 87.77 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.473 1.108 . . . . 54.340000000000003 110.995 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -122.83 158.96 29.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 0.774 . . . . 65.25 110.387 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . 0.511 ' ND2' HD13 ' A' ' 84' ' ' LEU . 9.3 t-20 -102.85 -3.9 25.62 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.425 1.078 . . . . 71.129999999999995 109.327 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -71.8 151.65 43.31 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.517 1.136 . . . . 73.219999999999999 110.429 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . 0.489 ' HB3' ' CE1' ' A' ' 79' ' ' PHE . 1.0 OUTLIER -143.77 71.19 1.32 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.45 1.094 . . . . 74.329999999999998 111.034 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 O-C-N 124.562 1.164 . . . . 63.520000000000003 110.965 179.914 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 597' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 N-CA-C 110.932 -0.867 . . . . 75.340000000000003 110.932 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 598' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 121.9 6.88 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.436 1.756 . . . . 62.549999999999997 110.966 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 599' ' ' HIS . . . . . . . . . . . . . 63.9 t-80 -98.65 137.23 37.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.418 1.074 . . . . 61.329999999999998 109.555 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 600' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -103.47 164.67 11.51 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.442 1.089 . . . . 71.310000000000002 110.92 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 601' ' ' ILE . . . . . 0.453 HD11 ' HA ' ' B' ' 601' ' ' ILE . 17.1 mm -110.07 -16.17 9.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.582 1.176 . . . . 72.439999999999998 109.304 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 602' ' ' SER . . . . . . . . . . . . . 4.2 m 51.12 51.39 17.1 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.387 1.055 . . . . 55.439999999999998 109.921 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 603' ' ' GLY . . . . . . . . . . . . . . . -126.69 -143.05 5.76 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.515 1.135 . . . . 71.310000000000002 111.083 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 604' ' ' LEU . . . . . . . . . . . . . 1.2 pt? -130.48 141.51 50.51 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.437 0.728 . . . . 63.329999999999998 109.275 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 605' ' ' SER . . . . . . . . . . . . . 2.0 t -169.17 175.18 5.8 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.592 1.182 . . . . 73.049999999999997 110.042 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 606' ' ' VAL . . . . . . . . . . . . . 6.3 m -78.35 172.04 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.437 1.086 . . . . 74.109999999999999 109.373 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 607' ' ' ILE . . . . . 0.654 HD11 ' N ' ' B' ' 607' ' ' ILE . 1.8 mm -74.88 157.31 6.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.582 1.176 . . . . 71.450000000000003 109.305 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 608' ' ' LYS . . . . . . . . . . . . . 63.0 mttt -133.95 102.14 5.32 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.496 1.123 . . . . 71.519999999999996 109.281 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 609' ' ' GLN . . . . . 0.419 ' HG3' ' CG ' ' A' ' 10' ' ' PRO . 6.1 mp0 -118.61 142.61 47.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.596 1.185 . . . . 75.510000000000005 110.235 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 610' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -119.92 -179.52 3.94 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.595 1.184 . . . . 74.310000000000002 110.219 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 611' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -148.13 137.77 16.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.475 1.109 . . . . 74.530000000000001 109.323 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 612' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -122.52 -52.92 1.91 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.506 1.129 . . . . 72.219999999999999 110.256 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 613' ' ' ARG . . . . . 0.638 ' CG ' HD12 ' B' ' 614' ' ' LEU . 18.9 ptt180 -138.01 -45.11 0.52 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.435 1.084 . . . . 71.310000000000002 110.328 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 614' ' ' LEU . . . . . 0.796 HD22 ' CZ3' ' B' ' 621' ' ' TRP . 4.2 mp -67.86 -114.99 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.1 . . . . 75.010000000000005 109.276 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 615' ' ' GLY . . . . . . . . . . . . . . . 142.8 -133.16 5.41 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.464 1.102 . . . . 55.229999999999997 110.935 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 616' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -65.16 -57.52 8.35 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 0.762 . . . . 73.319999999999993 109.298 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 617' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -54.99 -169.8 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.519 1.137 . . . . 64.209999999999994 109.263 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 618' ' ' VAL . . . . . 0.6 HG12 ' CZ ' ' A' ' 5' ' ' PHE . 0.0 OUTLIER -130.88 57.69 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.579 1.175 . . . . 73.239999999999995 109.27 179.977 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 619' ' ' PHE . . . . . 0.64 ' N ' HD21 ' B' ' 614' ' ' LEU . 2.4 m-85 178.67 -85.28 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.555 1.159 . . . . 72.230000000000004 110.988 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 620' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 64.14 11.16 6.02 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.449 1.093 . . . . 53.420000000000002 110.291 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 621' ' ' TRP . . . . . 0.796 ' CZ3' HD22 ' B' ' 614' ' ' LEU . 1.4 p90 -133.65 179.22 6.36 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 108.008 -1.108 . . . . 73.319999999999993 108.008 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 622' ' ' GLU . . . . . 0.523 ' O ' ' CD1' ' B' ' 621' ' ' TRP . 12.9 tp10 -42.87 166.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.123 . . . . 64.150000000000006 110.32 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 623' ' ' ASP . . . . . 0.405 ' CG ' ' OE1' ' B' ' 628' ' ' GLU . 1.2 m-20 46.13 82.94 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.468 1.105 . . . . 72.319999999999993 109.356 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 624' ' ' ASP . . . . . 0.559 ' O ' ' CE2' ' B' ' 619' ' ' PHE . 1.2 t70 -76.14 -69.36 0.51 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.494 1.121 . . . . 63.210000000000001 109.284 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 625' ' ' GLU . . . . . 0.455 ' O ' ' C ' ' B' ' 626' ' ' SER . 1.9 pp20? -118.8 -8.24 10.35 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.47 1.106 . . . . 75.099999999999994 110.283 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 626' ' ' SER . . . . . 0.455 ' C ' ' O ' ' B' ' 625' ' ' GLU . 52.5 p -35.26 142.75 0.05 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.46 1.1 . . . . 72.439999999999998 109.971 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 627' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -82.33 5.87 18.83 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.544 1.152 . . . . 61.450000000000003 109.335 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 628' ' ' GLU . . . . . 0.405 ' OE1' ' CG ' ' B' ' 623' ' ' ASP . 5.8 pt-20 -58.6 -25.3 62.49 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.511 1.132 . . . . 70.040000000000006 110.292 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 629' ' ' ILE . . . . . 0.555 ' HA ' HG11 ' A' ' 63' ' ' VAL . 0.5 OUTLIER -89.09 15.13 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 O-C-N 124.499 1.124 . . . . 61.409999999999997 109.209 -179.968 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 630' ' ' ALA . . . . . 0.614 ' HB1' HD13 ' A' ' 55' ' ' LEU . . . . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 73.25 109.284 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 0' ' ' HIS . . . . . . . . . . . . . 41.8 m170 . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 109.546 -0.539 . . . . 72.510000000000005 109.546 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 9.1 ptm -44.48 163.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.565 1.165 . . . . 71.219999999999999 110.993 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 44.6 mttt -121.34 -44.91 2.35 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.486 1.116 . . . . 64.099999999999994 109.371 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.512 ' HA ' ' CZ ' ' A' ' 47' ' ' ARG . 17.5 m -127.8 160.18 32.55 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 61.210000000000001 109.978 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.526 ' HG1' ' HA ' ' A' ' 46' ' ' LYS . 0.9 OUTLIER -113.75 -82.13 0.6 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.365 1.041 . . . . 74.439999999999998 110.332 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.718 ' CE2' HG12 ' B' ' 618' ' ' VAL . 28.7 t80 -63.95 -16.97 62.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.54 1.15 . . . . 75.109999999999999 111.109 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.622 ' HE3' ' HH ' ' A' ' 106' ' ' TYR . 4.9 tptt -100.64 -14.99 17.92 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.487 1.117 . . . . 72.109999999999999 109.312 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.463 ' CB ' ' O ' ' A' ' 3' ' ' SER . 10.0 t -96.03 5.28 51.53 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.524 1.14 . . . . 63.350000000000001 110.005 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.848 ' HG2' HD12 ' B' ' 614' ' ' LEU . 9.3 tp10 -80.9 -64.67 1.14 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.553 1.158 . . . . 75.049999999999997 110.27 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.632 ' OH ' ' CZ ' ' A' ' 5' ' ' PHE . 4.7 p90 -112.5 166.39 11.09 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.456 1.097 . . . . 62.130000000000003 111.008 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -74.97 -176.76 3.03 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.514 1.797 . . . . 44.439999999999998 111.056 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.442 ' CE1' ' HD3' ' A' ' 15' ' ' LYS . 22.7 t80 -63.86 -50.21 69.73 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.515 1.134 . . . . 73.120000000000005 111.004 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 25.6 mt-10 -47.78 -21.1 0.35 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.553 1.158 . . . . 72.25 110.347 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.515 ' CB ' ' HB2' ' A' ' 9' ' ' TYR . 0.1 OUTLIER -86.55 -54.5 4.37 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.548 1.155 . . . . 72.310000000000002 109.311 179.945 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.507 ' CZ ' ' OH ' ' A' ' 106' ' ' TYR . 22.0 ptt180 -65.47 -12.89 56.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 72.400000000000006 110.271 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.442 ' HD3' ' CE1' ' A' ' 11' ' ' PHE . 26.3 pttt -87.94 -40.62 13.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.549 1.156 . . . . 63.020000000000003 109.293 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -80.55 -8.43 59.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.573 1.17 . . . . 52.130000000000003 109.302 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.771 ' CD ' HG22 ' B' ' 618' ' ' VAL . 3.3 tp10 -86.7 -61.98 1.61 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.519 1.137 . . . . 64.25 110.322 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.406 ' OG ' ' O ' ' A' ' 14' ' ' ARG . 0.0 OUTLIER -56.55 -17.99 10.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.102 . . . . 73.400000000000006 109.937 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -75.25 -37.37 61.02 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.463 1.102 . . . . 72.310000000000002 110.286 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.413 ' CG ' ' O ' ' A' ' 17' ' ' GLU . 6.3 ptm180 -87.19 -27.77 22.81 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.397 1.06 . . . . 74.030000000000001 110.253 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.456 ' O ' ' N ' ' A' ' 25' ' ' PHE . 3.6 mt -58.55 -19.84 15.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.129 . . . . 70.129999999999995 109.321 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.448 ' O ' ' HB3' ' A' ' 26' ' ' PRO . . . -70.48 -29.79 66.42 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.515 1.135 . . . . 53.32 109.298 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -84.12 -40.0 18.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.569 1.168 . . . . 74.040000000000006 109.284 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.55 ' HB3' ' CE2' ' A' ' 25' ' ' PHE . 10.7 mtp180 -80.29 -18.47 49.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.577 1.173 . . . . 72.200000000000003 110.302 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.55 ' CE2' ' HB3' ' A' ' 24' ' ' ARG . 39.7 m-85 -159.37 75.36 3.21 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 64.319999999999993 110.997 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.448 ' HB3' ' O ' ' A' ' 22' ' ' ALA . 18.2 Cg_endo -75.03 -38.07 1.73 Allowed 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.491 1.785 . . . . 74.200000000000003 110.947 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 35.1 m-20 -91.74 41.48 1.07 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 72.439999999999998 109.314 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.57 ' HB3' HD11 ' A' ' 50' ' ' LEU . 2.6 mmt-85 -129.6 -178.43 4.68 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.127 . . . . 75.129999999999995 110.327 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.584 HG23 ' CB ' ' A' ' 95' ' ' TYR . 34.9 mm -146.56 97.11 4.35 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.462 1.101 . . . . 73.209999999999994 109.254 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.593 ' HD2' ' CE2' ' A' ' 95' ' ' TYR . 18.4 Cg_endo -74.93 139.93 25.04 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.48 1.779 . . . . 64.019999999999996 111.007 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.712 HG21 ' HB3' ' A' ' 105' ' ' LEU . 7.5 p -156.96 139.57 6.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 75.340000000000003 109.312 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.477 ' CG2' ' HB2' ' A' ' 47' ' ' ARG . 12.3 mm -100.24 116.77 44.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 65.239999999999995 109.352 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.558 ' HB2' ' CD2' ' A' ' 49' ' ' TYR . 0.5 OUTLIER -99.56 130.36 45.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 43.200000000000003 108.258 -179.948 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.746 ' CG ' HG21 ' A' ' 108' ' ' THR . 7.6 pt-20 -127.4 166.07 18.58 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 74.129999999999995 110.267 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.496 ' HG2' ' CE1' ' A' ' 109' ' ' TYR . 0.0 OUTLIER -107.62 97.41 7.14 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.484 1.115 . . . . 74.109999999999999 109.231 -179.922 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.622 ' HB2' HG23 ' A' ' 108' ' ' THR . . . -38.7 141.93 0.24 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.432 1.083 . . . . 61.539999999999999 109.303 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.422 ' CG ' ' N ' ' A' ' 38' ' ' LYS . 9.9 pt-20 -67.95 -53.07 29.0 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.467 1.104 . . . . 72.099999999999994 110.242 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.422 ' N ' ' CG ' ' A' ' 37' ' ' GLU . 35.9 mttp -47.16 -25.29 0.86 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.453 1.095 . . . . 70.129999999999995 109.306 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.413 ' N ' ' C ' ' A' ' 37' ' ' GLU . 2.9 t -59.79 156.69 13.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 61.219999999999999 110.034 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -115.95 -0.58 12.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.111 . . . . 65.120000000000005 109.334 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.577 HD12 ' CE1' ' A' ' 109' ' ' TYR . 0.1 OUTLIER -77.78 170.08 17.97 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 75.430000000000007 109.297 -179.971 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . 0.406 ' HD2' ' HB ' ' A' ' 41' ' ' ILE . 18.2 Cg_endo -75.02 129.34 12.24 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.599 1.842 . . . . 64.400000000000006 110.93 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 14.0 tt0 -57.96 166.34 1.53 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.432 1.082 . . . . 74.430000000000007 110.285 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.889 ' CD1' ' HH ' ' A' ' 49' ' ' TYR . 17.3 tt -96.54 167.37 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 73.530000000000001 109.217 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . 0.707 ' HB3' ' HZ1' ' A' ' 46' ' ' LYS . 7.9 t0 -69.23 -51.75 34.62 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.415 1.072 . . . . 74.129999999999995 109.356 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.707 ' HZ1' ' HB3' ' A' ' 45' ' ' ASP . 0.0 OUTLIER -144.45 177.07 8.91 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.524 1.14 . . . . 72.310000000000002 109.363 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.512 ' CZ ' ' HA ' ' A' ' 3' ' ' SER . 7.7 ptp180 -124.42 92.74 3.73 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 73.310000000000002 110.291 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.57 ' HG3' ' CZ ' ' A' ' 5' ' ' PHE . 4.1 tmtt? -167.69 115.09 0.75 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.443 1.089 . . . . 65.409999999999997 109.3 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.889 ' HH ' ' CD1' ' A' ' 44' ' ' ILE . 58.5 m-85 -139.21 116.11 10.88 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.542 1.151 . . . . 72.340000000000003 110.946 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.57 HD11 ' HB3' ' A' ' 28' ' ' ARG . 11.6 tp -106.32 75.55 1.09 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 74.329999999999998 109.243 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.829 HG22 ' SD ' ' A' ' 91' ' ' MET . 34.1 m -75.11 156.06 86.07 Favored Pre-proline 0 C--N 1.324 -0.536 0 O-C-N 124.492 1.12 . . . . 63.399999999999999 109.312 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -74.88 174.3 12.99 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.411 1.743 . . . . 72.439999999999998 111.055 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -87.38 18.81 3.57 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 72.450000000000003 109.355 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -120.11 -38.38 2.94 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 72.409999999999997 109.359 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.571 HD22 ' O ' ' B' ' 630' ' ' ALA . 0.7 OUTLIER -58.53 148.93 26.84 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.44 1.088 . . . . 73.349999999999994 109.269 179.944 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.49 HG23 ' CD1' ' A' ' 90' ' ' LEU . 1.3 p -106.61 -158.2 0.65 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 33.539999999999999 110.405 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.67 ' O ' HG21 ' A' ' 61' ' ' VAL . 2.6 t -86.81 -41.37 14.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 60.439999999999998 109.192 -179.917 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -66.73 -27.73 73.42 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.5 1.125 . . . . 73.230000000000004 111.044 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . 0.411 ' CB ' ' HG ' ' A' ' 55' ' ' LEU . 11.6 mt-30 -81.16 -25.52 36.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 0.776 . . . . 74.530000000000001 110.275 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.407 ' HE1' ' CD1' ' A' ' 49' ' ' TYR . 36.0 t80 -78.85 -42.6 27.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 73.030000000000001 110.988 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.72 HG13 HG23 ' A' ' 76' ' ' ILE . 89.6 t -55.43 -32.52 29.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 73.010000000000005 109.297 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.401 ' HB3' ' O ' ' A' ' 59' ' ' GLN . 1.6 t80 -57.11 -43.29 82.14 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.518 1.136 . . . . 74.540000000000006 110.939 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.626 HG22 ' C ' ' B' ' 630' ' ' ALA . 28.5 t -68.64 -46.5 79.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 65.319999999999993 109.328 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.642 ' CD1' ' CZ ' ' A' ' 49' ' ' TYR . 18.3 mm -59.2 -34.41 53.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.591 1.182 . . . . 74.049999999999997 109.334 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.499 ' HE ' HG22 ' A' ' 76' ' ' ILE . 6.0 tpp85 -79.36 -6.4 56.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 63.25 110.369 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 2.2 mttm -98.0 -35.69 10.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.453 1.096 . . . . 71.450000000000003 109.295 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.45 -39.79 84.78 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.565 1.165 . . . . 74.150000000000006 110.299 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.486 HD12 HD13 ' A' ' 76' ' ' ILE . 2.5 pt -103.89 6.96 10.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.461 1.101 . . . . 74.209999999999994 109.253 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 4.7 ptt? 38.11 43.42 0.56 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.443 1.089 . . . . 64.340000000000003 110.972 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.43 HD12 ' HA ' ' A' ' 70' ' ' LEU . 5.5 tp -53.47 140.48 46.23 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.424 1.077 . . . . 62.43 109.316 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 170.1 21.15 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.489 1.784 . . . . 75.310000000000002 111.003 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.92 -1.36 11.1 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.515 1.797 . . . . 73.310000000000002 110.977 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 20.1 pt-20 -94.12 -14.91 25.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.109 . . . . 75.109999999999999 110.337 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 11.8 mttt -107.43 -179.5 3.94 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.122 . . . . 74.239999999999995 109.29 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -144.71 170.26 16.42 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.467 1.105 . . . . 54.009999999999998 109.36 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.81 HD12 ' CD1' ' A' ' 109' ' ' TYR . 1.3 tt -154.49 129.44 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 71.129999999999995 109.311 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . 0.684 ' HB3' HD11 ' A' ' 84' ' ' LEU . 95.7 m-85 -129.07 136.36 50.15 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.459 1.099 . . . . 70.230000000000004 110.997 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.642 ' CG1' HG23 ' A' ' 61' ' ' VAL . 4.8 mm -86.49 130.64 36.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.456 1.097 . . . . 70.040000000000006 109.31 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . 0.443 ' CZ ' ' O ' ' A' ' 114' ' ' THR . 4.1 m-85 -119.98 121.17 38.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.572 1.17 . . . . 63.119999999999997 111.039 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.824 HG23 ' ND2' ' A' ' 81' ' ' ASN . 13.1 p -124.33 113.58 37.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 75.209999999999994 109.311 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . 0.824 ' ND2' HG23 ' A' ' 80' ' ' VAL . 0.9 OUTLIER 67.25 32.44 6.0 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.467 1.104 . . . . 74.420000000000002 109.315 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 15.1 t0 66.35 14.54 9.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.423 1.077 . . . . 75.129999999999995 109.297 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' THR . . . . . 0.51 ' O ' ' CG2' ' A' ' 83' ' ' THR . 0.5 OUTLIER -125.45 111.75 15.46 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.436 1.085 . . . . 74.25 110.382 -179.961 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.684 HD11 ' HB3' ' A' ' 77' ' ' PHE . 0.4 OUTLIER -72.11 116.87 53.07 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.539 1.149 . . . . 64.219999999999999 109.32 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . 0.446 ' HD3' HG12 ' A' ' 80' ' ' VAL . 18.3 Cg_endo -74.91 159.87 41.12 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.375 1.724 . . . . 73.140000000000001 111.005 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . 0.786 ' HD2' ' HB2' ' A' ' 89' ' ' ALA . 18.8 Cg_endo -75.0 177.85 8.05 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.544 1.813 . . . . 70.439999999999998 111.003 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 4.6 p -79.33 -33.6 42.97 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.507 1.13 . . . . 62.409999999999997 110.403 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -84.08 9.62 12.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.1 . . . . 71.439999999999998 109.347 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 1.065 ' HB1' HD12 ' A' ' 94' ' ' ILE . . . -74.71 63.2 1.12 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 73.430000000000007 109.27 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.531 ' C ' ' O ' ' A' ' 89' ' ' ALA . 0.7 OUTLIER -30.37 111.19 0.07 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 71.209999999999994 109.333 179.97 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' MET . . . . . 0.829 ' SD ' HG22 ' A' ' 51' ' ' VAL . 0.0 OUTLIER -37.37 -30.27 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.135 . . . . 71.209999999999994 110.961 -179.965 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' SER . . . . . 0.46 ' N ' ' O ' ' A' ' 90' ' ' LEU . 2.2 t -63.37 -52.23 62.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.146 . . . . 61.219999999999999 110.009 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . 0.463 ' N ' ' O ' ' A' ' 90' ' ' LEU . . . -67.99 -32.45 72.85 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.456 1.097 . . . . 70.439999999999998 109.207 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 1.065 HD12 ' HB1' ' A' ' 89' ' ' ALA . 25.5 mm -64.49 -47.1 90.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.426 1.079 . . . . 61.530000000000001 109.308 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . 0.593 ' CE2' ' HD2' ' A' ' 30' ' ' PRO . 33.6 t80 -70.54 -4.58 23.7 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.465 1.103 . . . . 52.140000000000001 110.935 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . 0.454 ' O ' ' CG ' ' A' ' 96' ' ' GLN . 32.3 tp60 -104.19 -9.21 18.82 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.406 1.067 . . . . 73.329999999999998 110.383 179.882 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . 0.546 ' HG3' ' CE1' ' A' ' 98' ' ' HIS . 10.4 pt-20 -119.59 -7.61 10.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.142 . . . . 70.129999999999995 110.307 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . 0.566 ' HD2' HG23 ' A' ' 94' ' ' ILE . 23.7 m-70 -129.51 17.6 5.88 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.384 1.052 . . . . 62.030000000000001 109.627 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.492 ' HB3' ' O ' ' A' ' 95' ' ' TYR . 0.1 OUTLIER -60.29 160.25 8.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 60.420000000000002 109.293 -180.0 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -125.91 166.3 17.15 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 64.510000000000005 109.284 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 24.4 mtmt -54.02 -47.47 71.5 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.536 1.148 . . . . 74.239999999999995 109.292 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . 0.518 ' HD2' ' HE1' ' A' ' 106' ' ' TYR . 0.4 OUTLIER -66.95 -19.95 65.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.43 1.081 . . . . 52.350000000000001 109.262 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 101.04 -39.38 2.76 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.547 1.154 . . . . 42.140000000000001 111.035 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . 0.459 ' O ' ' CE1' ' A' ' 106' ' ' TYR . 1.5 m-85 -59.54 134.6 57.17 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.421 0.718 . . . . 73.230000000000004 110.996 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.712 ' HB3' HG21 ' A' ' 31' ' ' VAL . 4.3 tp -81.13 167.32 19.81 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.452 1.095 . . . . 74.420000000000002 109.251 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . 0.622 ' HH ' ' HE3' ' A' ' 6' ' ' LYS . 91.7 m-85 -145.07 131.54 19.75 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.511 1.132 . . . . 64.400000000000006 111.007 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . 0.756 HG21 ' N ' ' A' ' 108' ' ' THR . 1.5 m -138.24 -177.66 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.459 1.099 . . . . 71.319999999999993 109.319 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' THR . . . . . 0.756 ' N ' HG21 ' A' ' 107' ' ' VAL . 1.6 m -153.67 107.88 3.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 74.209999999999994 110.374 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' TYR . . . . . 0.81 ' CD1' HD12 ' A' ' 76' ' ' ILE . 9.7 p90 -95.2 122.08 37.51 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.518 1.136 . . . . 63.539999999999999 111.01 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 35.9 t -131.98 165.3 24.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.105 . . . . 73.5 109.961 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -81.18 2.17 82.38 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.488 1.117 . . . . 54.340000000000003 111.051 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -123.2 166.89 14.46 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.493 0.76 . . . . 65.25 110.29 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 63.2 t-20 -129.06 30.98 4.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.101 . . . . 71.129999999999995 109.304 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' THR . . . . . 0.696 HG23 ' H ' ' A' ' 115' ' ' PHE . 4.2 m -89.53 -169.51 2.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 73.219999999999999 110.309 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . 0.696 ' H ' HG23 ' A' ' 114' ' ' THR . 2.9 p90 -113.95 96.91 6.07 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.423 1.077 . . . . 74.329999999999998 111.02 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.965 0 O-C-N 124.463 1.102 . . . . 63.520000000000003 110.994 -179.986 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 597' ' ' GLY . . . . . 0.402 ' N ' ' HD3' ' B' ' 598' ' ' PRO . . . . . . . . 0 CA--C 1.529 0.95 0 N-CA-C 111.001 -0.84 . . . . 75.340000000000003 111.001 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 598' ' ' PRO . . . . . 0.402 ' HD3' ' N ' ' B' ' 597' ' ' GLY . 18.1 Cg_endo -75.01 140.85 25.91 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.432 1.754 . . . . 62.549999999999997 111.034 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 599' ' ' HIS . . . . . . . . . . . . . 84.0 m-70 -43.46 163.61 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 61.329999999999998 109.583 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 600' ' ' MET . . . . . . . . . . . . . 31.6 ttp -79.72 4.7 15.47 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.465 1.103 . . . . 71.310000000000002 110.95 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 601' ' ' ILE . . . . . . . . . . . . . 1.4 tt -48.56 -24.41 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 72.439999999999998 109.25 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 602' ' ' SER . . . . . . . . . . . . . 1.8 m -134.2 -70.35 0.51 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 55.439999999999998 109.985 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 603' ' ' GLY . . . . . . . . . . . . . . . 85.6 67.7 1.39 Allowed Glycine 0 CA--C 1.532 1.097 0 O-C-N 124.456 1.097 . . . . 71.310000000000002 110.979 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 604' ' ' LEU . . . . . . . . . . . . . 53.2 tp -120.09 146.33 46.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.631 0.842 . . . . 63.329999999999998 109.298 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 605' ' ' SER . . . . . . . . . . . . . 89.6 p -176.96 123.59 0.14 Allowed 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.443 1.09 . . . . 73.049999999999997 109.996 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 606' ' ' VAL . . . . . 0.591 HG23 ' H ' ' B' ' 607' ' ' ILE . 0.7 OUTLIER -109.82 -172.43 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 O-C-N 124.458 1.099 . . . . 74.109999999999999 109.217 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 607' ' ' ILE . . . . . 0.591 ' H ' HG23 ' B' ' 606' ' ' VAL . 4.3 mm -120.66 169.86 11.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 71.450000000000003 109.313 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 608' ' ' LYS . . . . . 0.543 ' H ' HG22 ' B' ' 607' ' ' ILE . 0.0 OUTLIER -139.76 131.89 28.05 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.496 1.123 . . . . 71.519999999999996 109.323 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 609' ' ' GLN . . . . . . . . . . . . . 73.1 mm-40 -143.41 -173.84 4.05 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.428 1.08 . . . . 75.510000000000005 110.298 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 610' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -42.71 165.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.111 . . . . 74.310000000000002 110.2 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 611' ' ' VAL . . . . . 0.401 ' HA ' ' HE2' ' A' ' 8' ' ' GLU . 6.7 m -144.54 118.56 3.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.553 1.158 . . . . 74.530000000000001 109.301 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 612' ' ' GLU . . . . . 0.427 ' HG3' ' CG ' ' B' ' 613' ' ' ARG . 7.3 pt-20 -107.74 -42.15 4.81 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.407 1.067 . . . . 72.219999999999999 110.301 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 613' ' ' ARG . . . . . 0.427 ' CG ' ' HG3' ' B' ' 612' ' ' GLU . 0.3 OUTLIER -142.21 -44.73 0.33 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.596 1.185 . . . . 71.310000000000002 110.23 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 614' ' ' LEU . . . . . 0.848 HD12 ' HG2' ' A' ' 8' ' ' GLU . 0.5 OUTLIER -120.52 134.67 55.25 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.566 1.166 . . . . 75.010000000000005 109.274 -179.969 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 615' ' ' GLY . . . . . 0.4 ' O ' ' C ' ' B' ' 616' ' ' ASN . . . -139.7 -62.81 0.04 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.514 1.134 . . . . 55.229999999999997 110.978 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 616' ' ' ASN . . . . . 0.443 ' ND2' ' OE1' ' B' ' 620' ' ' GLU . 10.7 m-80 -40.17 -65.7 0.38 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.579 0.811 . . . . 73.319999999999993 109.325 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 617' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -114.39 150.41 34.68 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.599 1.187 . . . . 64.209999999999994 109.34 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 618' ' ' VAL . . . . . 0.771 HG22 ' CD ' ' A' ' 17' ' ' GLU . 70.0 t -45.96 -29.64 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.413 1.07 . . . . 73.239999999999995 109.286 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 619' ' ' PHE . . . . . 0.509 ' O ' ' CG ' ' B' ' 620' ' ' GLU . 7.0 m-85 -112.97 -67.72 0.98 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.548 1.155 . . . . 72.230000000000004 111.024 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 620' ' ' GLU . . . . . 0.509 ' CG ' ' O ' ' B' ' 619' ' ' PHE . 5.6 pt-20 48.78 33.89 4.76 Favored 'General case' 0 C--N 1.327 -0.406 0 O-C-N 124.463 1.102 . . . . 53.420000000000002 110.359 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 621' ' ' TRP . . . . . 0.632 ' CD1' ' O ' ' B' ' 622' ' ' GLU . 0.0 OUTLIER -145.01 160.48 41.3 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 107.93 -1.137 . . . . 73.319999999999993 107.93 -179.967 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 622' ' ' GLU . . . . . 0.632 ' O ' ' CD1' ' B' ' 621' ' ' TRP . 4.9 tp10 -41.11 163.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 64.150000000000006 110.367 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 623' ' ' ASP . . . . . 0.404 ' CG ' ' CD ' ' B' ' 628' ' ' GLU . 0.0 OUTLIER 55.82 49.65 15.69 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.55 1.156 . . . . 72.319999999999993 109.27 -179.958 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 624' ' ' ASP . . . . . 0.406 ' OD1' ' C ' ' B' ' 624' ' ' ASP . 2.3 t0 -53.54 -62.52 1.6 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.483 1.114 . . . . 63.210000000000001 109.336 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 625' ' ' GLU . . . . . 0.429 ' O ' ' C ' ' B' ' 626' ' ' SER . 2.3 pp20? -118.6 -7.76 10.53 Favored 'General case' 0 C--N 1.327 -0.408 0 O-C-N 124.522 1.139 . . . . 75.099999999999994 110.26 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 626' ' ' SER . . . . . 0.429 ' C ' ' O ' ' B' ' 625' ' ' GLU . 8.7 t -35.99 139.0 0.16 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.444 1.09 . . . . 72.439999999999998 109.954 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 627' ' ' ASP . . . . . . . . . . . . . 4.1 p30 -78.48 1.02 23.69 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.433 1.083 . . . . 61.450000000000003 109.204 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 628' ' ' GLU . . . . . 0.404 ' CD ' ' CG ' ' B' ' 623' ' ' ASP . 8.2 pt-20 -52.73 -19.66 2.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 70.040000000000006 110.314 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 629' ' ' ILE . . . . . 0.485 ' C ' HD13 ' B' ' 629' ' ' ILE . 0.7 OUTLIER -91.37 31.49 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.531 1.145 . . . . 61.409999999999997 109.32 179.933 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 630' ' ' ALA . . . . . 0.648 ' HA ' HG12 ' A' ' 51' ' ' VAL . . . . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 73.25 109.303 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 0' ' ' HIS . . . . . . . . . . . . . 70.7 m80 . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 109.544 -0.539 . . . . 72.510000000000005 109.544 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.411 ' HB3' ' HE3' ' A' ' 1' ' ' MET . 15.1 ptp -122.99 166.96 14.23 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.528 1.143 . . . . 71.219999999999999 110.995 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.71 -52.37 1.69 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.377 1.048 . . . . 64.099999999999994 109.336 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.461 ' CB ' ' HD3' ' A' ' 47' ' ' ARG . 35.1 m -100.23 153.99 18.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.453 1.095 . . . . 61.210000000000001 109.955 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.81 ' HG1' ' HB3' ' A' ' 46' ' ' LYS . 22.5 p -134.66 -62.51 0.73 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.447 1.092 . . . . 74.439999999999998 110.319 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.598 ' CZ ' ' OH ' ' A' ' 9' ' ' TYR . 85.6 t80 -60.6 -32.54 71.66 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.097 . . . . 75.109999999999999 111.007 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.583 ' HZ3' ' HB3' ' A' ' 6' ' ' LYS . 0.0 OUTLIER -100.55 3.86 43.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.456 1.098 . . . . 72.109999999999999 109.303 179.93 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 40.0 t -109.44 5.27 23.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 63.350000000000001 110.097 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.481 ' HE2' ' C ' ' B' ' 614' ' ' LEU . 38.1 tt0 -93.35 -57.92 2.46 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.465 1.103 . . . . 75.049999999999997 110.281 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.598 ' OH ' ' CZ ' ' A' ' 5' ' ' PHE . 2.3 p90 -120.79 164.94 20.34 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 62.130000000000003 110.994 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.92 173.91 13.67 Favored 'Trans proline' 0 C--N 1.361 1.223 0 O-C-N 124.466 1.772 . . . . 44.439999999999998 111.078 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.563 ' CE1' ' HB3' ' A' ' 102' ' ' ASP . 4.8 t80 -59.34 -56.45 21.92 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.482 1.114 . . . . 73.120000000000005 110.981 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.402 ' N ' ' CD2' ' A' ' 11' ' ' PHE . 23.6 mt-10 -38.57 -30.14 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.64 1.213 . . . . 72.25 110.33 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.508 ' O ' ' HB3' ' A' ' 16' ' ' ALA . 2.1 tppt? -79.07 -51.6 9.35 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.581 1.175 . . . . 72.310000000000002 109.258 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.706 ' CD ' ' CD2' ' A' ' 104' ' ' PHE . 0.1 OUTLIER -56.44 -53.82 52.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 72.400000000000006 110.378 179.95 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 5.1 pttt -45.28 -42.59 9.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.138 . . . . 63.020000000000003 109.368 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.508 ' HB3' ' O ' ' A' ' 13' ' ' LYS . . . -54.96 -40.03 69.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.558 1.161 . . . . 52.130000000000003 109.314 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.727 ' HB2' HG22 ' B' ' 618' ' ' VAL . 24.9 tp10 -62.32 -43.93 97.68 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.437 1.086 . . . . 64.25 110.261 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.462 ' HB3' ' CD2' ' A' ' 104' ' ' PHE . 0.1 OUTLIER -68.97 -22.86 64.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 73.400000000000006 109.982 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 16.8 mm-40 -72.22 -23.75 61.29 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.352 1.033 . . . . 72.310000000000002 110.33 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.436 ' CG ' ' O ' ' A' ' 17' ' ' GLU . 3.3 ptp180 -101.74 -31.15 10.91 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.529 1.143 . . . . 74.030000000000001 110.235 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.415 ' N ' ' HG3' ' A' ' 20' ' ' ARG . 4.3 mt -65.94 -19.51 25.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 70.129999999999995 109.311 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -74.31 -20.02 60.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.437 1.085 . . . . 53.32 109.286 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -105.92 -11.04 16.34 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.443 1.089 . . . . 74.040000000000006 109.31 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 12.7 mmm180 -94.03 -55.24 3.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.107 . . . . 72.200000000000003 110.269 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.45 ' HB3' ' CG ' ' A' ' 28' ' ' ARG . 5.0 m-85 -132.76 86.01 45.27 Favored Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.562 1.164 . . . . 64.319999999999993 110.909 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -32.45 5.33 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.554 1.818 . . . . 74.200000000000003 111.037 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 22.7 m-20 -91.23 40.12 1.02 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.461 1.101 . . . . 72.439999999999998 109.309 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.45 ' CG ' ' HB3' ' A' ' 25' ' ' PHE . 8.4 mmt-85 -128.43 178.39 6.31 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.554 1.159 . . . . 75.129999999999995 110.275 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.58 HG23 ' CB ' ' A' ' 95' ' ' TYR . 23.6 mm -142.15 93.66 7.23 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.429 1.081 . . . . 73.209999999999994 109.279 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.6 ' HD2' ' CE2' ' A' ' 95' ' ' TYR . 18.1 Cg_endo -74.99 119.0 5.47 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.474 1.776 . . . . 64.019999999999996 111.02 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.53 HG13 HG23 ' A' ' 51' ' ' VAL . 1.0 OUTLIER -127.66 173.2 13.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.607 1.192 . . . . 75.340000000000003 109.301 -179.988 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.678 HG22 ' HB2' ' A' ' 47' ' ' ARG . 4.8 mm -137.05 99.11 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.485 1.116 . . . . 65.239999999999995 109.26 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.605 ' HA ' HG13 ' A' ' 107' ' ' VAL . 0.5 OUTLIER -84.86 123.87 30.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.138 . . . . 43.200000000000003 108.284 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.488 ' O ' ' CG2' ' A' ' 108' ' ' THR . 53.4 tt0 -135.02 152.43 51.71 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.484 1.115 . . . . 74.129999999999995 110.265 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 1.003 ' HZ1' ' CB ' ' A' ' 39' ' ' SER . 0.3 OUTLIER -87.44 123.82 32.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.452 1.095 . . . . 74.109999999999999 109.336 180.0 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.452 ' N ' ' HD2' ' A' ' 35' ' ' LYS . . . -57.02 -179.73 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 61.539999999999999 109.316 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.432 ' CG ' ' N ' ' A' ' 38' ' ' LYS . 12.9 pt-20 -96.96 -50.15 4.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 72.099999999999994 110.294 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.432 ' N ' ' CG ' ' A' ' 37' ' ' GLU . 38.0 mttp -57.65 -43.67 85.09 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.452 1.095 . . . . 70.129999999999995 109.319 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 1.003 ' CB ' ' HZ1' ' A' ' 35' ' ' LYS . 0.1 OUTLIER -40.72 158.32 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 61.219999999999999 109.976 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -122.48 21.01 10.31 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.489 1.118 . . . . 65.120000000000005 109.282 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.619 HD12 ' CE2' ' A' ' 109' ' ' TYR . 0.1 OUTLIER -89.48 166.07 22.83 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.466 1.104 . . . . 75.430000000000007 109.276 179.992 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . 0.458 ' O ' HG21 ' A' ' 68' ' ' ILE . 18.4 Cg_endo -74.98 114.71 4.09 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.524 1.802 . . . . 64.400000000000006 110.99 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -48.97 156.49 0.5 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 74.430000000000007 110.322 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 1.016 ' CD1' ' HH ' ' A' ' 49' ' ' TYR . 5.7 tt -92.17 164.27 2.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.554 1.159 . . . . 73.530000000000001 109.322 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . 0.437 ' N ' ' CG1' ' A' ' 44' ' ' ILE . 1.4 m-20 -55.78 -57.66 11.09 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.447 1.092 . . . . 74.129999999999995 109.307 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.81 ' HB3' ' HG1' ' A' ' 4' ' ' THR . 0.0 OUTLIER -148.79 166.71 27.65 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.425 1.078 . . . . 72.310000000000002 109.38 179.961 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.678 ' HB2' HG22 ' A' ' 32' ' ' ILE . 10.8 ptm180 -107.56 95.25 5.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.425 1.078 . . . . 73.310000000000002 110.292 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.514 ' HB2' ' CG ' ' A' ' 5' ' ' PHE . 12.5 tptp -166.34 105.7 0.65 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 65.409999999999997 109.229 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 1.016 ' HH ' ' CD1' ' A' ' 44' ' ' ILE . 23.8 m-85 -129.15 147.65 51.02 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.489 1.118 . . . . 72.340000000000003 110.997 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.453 HD13 ' HA ' ' A' ' 30' ' ' PRO . 3.1 tp -132.27 77.47 1.76 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.392 1.058 . . . . 74.329999999999998 109.304 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.762 HG11 ' CD1' ' A' ' 60' ' ' PHE . 19.0 m -80.62 149.83 68.74 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 63.399999999999999 109.295 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . 0.427 ' HD3' ' CB ' ' B' ' 630' ' ' ALA . 18.2 Cg_endo -75.03 -178.36 4.12 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.518 1.799 . . . . 72.439999999999998 111.029 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -93.26 18.1 10.09 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.466 1.104 . . . . 72.450000000000003 109.277 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -118.58 -38.25 3.16 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.466 1.104 . . . . 72.409999999999997 109.29 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.434 ' HG ' ' CB ' ' A' ' 59' ' ' GLN . 0.7 OUTLIER -58.53 134.38 56.65 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.502 1.126 . . . . 73.349999999999994 109.201 -179.923 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 1.077 HG23 ' CD2' ' A' ' 90' ' ' LEU . 5.0 p -94.13 176.0 6.49 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 33.539999999999999 110.374 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.404 ' HB ' ' O ' ' A' ' 86' ' ' PRO . 2.9 t -63.7 -48.78 85.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 60.439999999999998 109.282 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -64.64 -10.64 45.25 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.534 1.146 . . . . 73.230000000000004 111.071 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . 0.434 ' CB ' ' HG ' ' A' ' 55' ' ' LEU . 5.4 mt-30 -96.48 -25.5 15.64 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 0.752 . . . . 74.530000000000001 110.283 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.762 ' CD1' HG11 ' A' ' 51' ' ' VAL . 32.8 t80 -75.52 -47.62 26.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.579 1.174 . . . . 73.030000000000001 110.998 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.69 HG23 ' CG1' ' A' ' 78' ' ' ILE . 59.4 t -44.16 -39.29 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 O-C-N 124.378 1.049 . . . . 73.010000000000005 109.326 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.529 ' CG ' ' N ' ' A' ' 63' ' ' VAL . 0.2 OUTLIER -53.91 -62.72 1.47 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.151 . . . . 74.540000000000006 111.028 179.923 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.767 HG22 ' HA ' ' B' ' 630' ' ' ALA . 78.8 t -43.48 -36.17 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.107 . . . . 65.319999999999993 109.301 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.612 ' CD1' ' CE2' ' A' ' 49' ' ' TYR . 4.4 mm -68.84 -61.91 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 74.049999999999997 109.351 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.454 ' CD ' ' HB3' ' A' ' 70' ' ' LEU . 6.8 tpp85 -44.26 -28.1 0.49 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.528 1.142 . . . . 63.25 110.301 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 2.2 mptp? -77.2 -43.62 33.01 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.502 1.126 . . . . 71.450000000000003 109.275 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.464 ' N ' ' O ' ' A' ' 64' ' ' ILE . 0.4 OUTLIER -59.43 -15.08 14.83 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.478 1.111 . . . . 74.150000000000006 110.294 -179.928 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.642 HD12 ' CD1' ' A' ' 76' ' ' ILE . 2.1 pt -130.57 7.5 2.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.515 1.134 . . . . 74.209999999999994 109.306 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' MET . . . . . 0.449 ' N ' ' O ' ' A' ' 65' ' ' ARG . 0.0 OUTLIER 35.5 34.34 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.581 1.176 . . . . 64.340000000000003 111.0 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.454 ' HB3' ' CD ' ' A' ' 65' ' ' ARG . 5.9 tp -49.32 140.01 13.42 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.442 1.088 . . . . 62.43 109.323 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 165.72 30.66 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.579 1.831 . . . . 75.310000000000002 111.016 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 1.15 8.08 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.517 1.798 . . . . 73.310000000000002 111.001 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -99.0 6.76 46.54 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.517 1.136 . . . . 75.109999999999999 110.358 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.29 178.64 4.57 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.426 1.079 . . . . 74.239999999999995 109.297 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -138.58 149.14 44.98 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.503 1.127 . . . . 54.009999999999998 109.307 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.67 HD12 ' CD2' ' A' ' 109' ' ' TYR . 2.3 tt -142.7 122.51 9.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.558 1.161 . . . . 71.129999999999995 109.27 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . 0.424 ' HB3' HD22 ' A' ' 84' ' ' LEU . 90.1 m-85 -121.19 137.48 54.65 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 70.230000000000004 110.99 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.69 ' CG1' HG23 ' A' ' 61' ' ' VAL . 4.1 mm -84.43 147.41 5.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.53 1.144 . . . . 70.040000000000006 109.342 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -136.49 124.45 22.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.106 . . . . 63.119999999999997 111.012 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.756 ' O ' HG23 ' A' ' 83' ' ' THR . 1.9 t -126.57 104.4 12.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 75.209999999999994 109.317 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . 0.53 HD22 ' ND1' ' A' ' 98' ' ' HIS . 1.9 m-80 69.77 23.34 5.72 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.501 1.125 . . . . 74.420000000000002 109.282 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . 0.49 ' CB ' ' O ' ' A' ' 81' ' ' ASN . 3.5 m-20 81.73 23.57 0.26 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 75.129999999999995 109.239 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' THR . . . . . 0.756 HG23 ' O ' ' A' ' 80' ' ' VAL . 1.2 t -121.22 152.08 39.25 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.525 1.141 . . . . 74.25 110.432 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.52 HD13 ' ND2' ' A' ' 113' ' ' ASN . 2.1 mt -113.74 102.43 54.8 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.564 1.165 . . . . 64.219999999999999 109.307 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.08 155.09 42.55 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.475 1.776 . . . . 73.140000000000001 110.975 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . 0.726 ' HD2' ' HB2' ' A' ' 89' ' ' ALA . 18.2 Cg_endo -75.01 177.84 8.06 Favored 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.449 1.763 . . . . 70.439999999999998 110.97 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 15.8 p -78.43 -34.41 47.89 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.571 1.169 . . . . 62.409999999999997 110.347 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -79.58 4.31 16.27 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.448 1.093 . . . . 71.439999999999998 109.304 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 1.061 ' HB1' HD12 ' A' ' 94' ' ' ILE . . . -77.89 61.54 2.53 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.571 1.17 . . . . 73.430000000000007 109.264 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 1.077 ' CD2' HG23 ' A' ' 56' ' ' THR . 16.7 mt -29.35 125.65 0.12 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 71.209999999999994 109.27 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' MET . . . . . 0.44 ' HE1' ' HB3' ' A' ' 91' ' ' MET . 47.2 mmm -52.09 -20.11 2.3 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 71.209999999999994 110.967 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 25.1 t -73.29 -35.13 66.08 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.576 1.172 . . . . 61.219999999999999 109.905 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -89.12 -9.32 51.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 70.439999999999998 109.289 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 1.061 HD12 ' HB1' ' A' ' 89' ' ' ALA . 27.3 mm -87.65 -47.45 15.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.553 1.158 . . . . 61.530000000000001 109.248 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . 0.821 ' CD2' HD21 ' A' ' 105' ' ' LEU . 6.1 t80 -69.03 -6.45 28.06 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.6 1.187 . . . . 52.140000000000001 111.085 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -99.03 -13.35 19.91 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.523 1.139 . . . . 73.329999999999998 110.357 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -113.76 -11.42 12.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 70.129999999999995 110.373 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . 0.53 ' ND1' HD22 ' A' ' 81' ' ' ASN . 51.3 m-70 -124.82 16.48 8.66 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.589 1.181 . . . . 62.030000000000001 109.621 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.481 ' HB3' ' O ' ' A' ' 95' ' ' TYR . 0.1 OUTLIER -55.21 154.07 6.22 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.567 1.167 . . . . 60.420000000000002 109.374 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . 0.441 ' OD1' ' CE2' ' A' ' 106' ' ' TYR . 0.7 OUTLIER -121.81 177.16 5.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 64.510000000000005 109.252 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 17.4 mtpt -55.89 -51.42 67.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.563 1.164 . . . . 74.239999999999995 109.335 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . 0.573 ' HD2' HH21 ' A' ' 14' ' ' ARG . 8.7 p-10 -67.97 -15.38 63.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 52.350000000000001 109.327 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . 0.515 ' O ' ' CZ ' ' A' ' 95' ' ' TYR . . . 95.78 -39.34 2.86 Favored Glycine 0 CA--C 1.531 1.09 0 O-C-N 124.517 1.135 . . . . 42.140000000000001 110.995 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . 0.706 ' CD2' ' CD ' ' A' ' 14' ' ' ARG . 9.6 m-85 -51.14 155.85 1.22 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.522 0.777 . . . . 73.230000000000004 110.974 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.821 HD21 ' CD2' ' A' ' 95' ' ' TYR . 0.2 OUTLIER -99.83 139.91 34.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 74.420000000000002 109.335 179.938 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . 0.606 ' CZ ' ' NH2' ' A' ' 14' ' ' ARG . 60.7 m-85 -114.54 90.01 3.24 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.448 1.092 . . . . 64.400000000000006 110.987 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . 0.621 ' CG2' ' CG2' ' A' ' 78' ' ' ILE . 9.9 p -101.13 165.61 2.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 71.319999999999993 109.214 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' THR . . . . . 0.488 ' CG2' ' O ' ' A' ' 34' ' ' GLU . 0.3 OUTLIER -153.36 128.97 10.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.139 . . . . 74.209999999999994 110.316 -179.981 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' TYR . . . . . 0.703 ' HH ' ' CG2' ' A' ' 44' ' ' ILE . 37.6 p90 -108.54 132.92 53.36 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.51 1.131 . . . . 63.539999999999999 110.968 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 1.4 t -130.05 164.16 24.95 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.519 1.137 . . . . 73.5 110.056 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . 0.457 ' HA3' ' CG2' ' A' ' 41' ' ' ILE . . . -85.03 3.31 87.45 Favored Glycine 0 CA--C 1.531 1.069 0 O-C-N 124.451 1.094 . . . . 54.340000000000003 111.008 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -122.89 152.84 40.39 Favored 'General case' 0 C--N 1.327 -0.403 0 O-C-N 124.492 0.76 . . . . 65.25 110.263 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . 0.52 ' ND2' HD13 ' A' ' 84' ' ' LEU . 9.4 t-20 -97.95 -4.18 36.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.441 1.088 . . . . 71.129999999999995 109.29 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' THR . . . . . 0.694 HG23 ' H ' ' A' ' 115' ' ' PHE . 4.8 m -105.31 -171.2 1.87 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.548 1.155 . . . . 73.219999999999999 110.41 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . 0.694 ' H ' HG23 ' A' ' 114' ' ' THR . 0.6 OUTLIER -139.57 97.21 3.22 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 74.329999999999998 111.032 179.962 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.982 0 O-C-N 124.502 1.126 . . . . 63.520000000000003 111.083 179.964 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 597' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.957 0 N-CA-C 110.966 -0.854 . . . . 75.340000000000003 110.966 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 598' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 136.63 20.61 Favored 'Trans proline' 0 C--N 1.361 1.229 0 O-C-N 124.481 1.779 . . . . 62.549999999999997 110.987 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 599' ' ' HIS . . . . . 0.868 ' HE2' ' CB ' ' B' ' 610' ' ' GLU . 39.5 p-80 -120.51 99.32 6.49 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.548 1.155 . . . . 61.329999999999998 109.581 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 600' ' ' MET . . . . . . . . . . . . . 2.3 ttt -73.32 130.46 40.23 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.539 1.149 . . . . 71.310000000000002 111.022 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 601' ' ' ILE . . . . . 0.94 HG21 ' O ' ' B' ' 608' ' ' LYS . 2.0 mp -81.29 119.95 31.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 O-C-N 124.509 1.13 . . . . 72.439999999999998 109.257 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 602' ' ' SER . . . . . . . . . . . . . 93.8 p -135.49 -178.66 5.22 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.515 1.134 . . . . 55.439999999999998 109.977 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 603' ' ' GLY . . . . . . . . . . . . . . . 107.28 145.25 12.02 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.497 1.123 . . . . 71.310000000000002 111.085 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 604' ' ' LEU . . . . . . . . . . . . . 2.7 tp -67.34 100.53 0.83 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 0.771 . . . . 63.329999999999998 109.31 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 605' ' ' SER . . . . . 0.417 ' OG ' ' NZ ' ' B' ' 608' ' ' LYS . 2.9 p -176.24 154.39 1.36 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.612 1.195 . . . . 73.049999999999997 110.034 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 606' ' ' VAL . . . . . . . . . . . . . 7.4 p -41.16 158.28 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 74.109999999999999 109.318 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 607' ' ' ILE . . . . . . . . . . . . . 2.9 mt -60.6 135.94 24.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 O-C-N 124.463 1.102 . . . . 71.450000000000003 109.296 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 608' ' ' LYS . . . . . 0.94 ' O ' HG21 ' B' ' 601' ' ' ILE . 5.0 ptpp? -169.67 142.53 2.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 71.519999999999996 109.309 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 609' ' ' GLN . . . . . . . . . . . . . 28.4 mp0 -133.05 167.87 19.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.138 . . . . 75.510000000000005 110.259 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 610' ' ' GLU . . . . . 0.88 ' O ' HG13 ' B' ' 611' ' ' VAL . 39.8 mm-40 -88.76 -178.51 5.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 74.310000000000002 110.297 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 611' ' ' VAL . . . . . 0.88 HG13 ' O ' ' B' ' 610' ' ' GLU . 0.0 OUTLIER -171.75 134.09 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.43 1.081 . . . . 74.530000000000001 109.336 179.977 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 612' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -112.36 -39.04 4.51 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.496 1.122 . . . . 72.219999999999999 110.345 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 613' ' ' ARG . . . . . 0.64 ' NH2' ' CZ3' ' B' ' 621' ' ' TRP . 0.2 OUTLIER -147.81 -53.62 0.2 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.112 . . . . 71.310000000000002 110.303 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 614' ' ' LEU . . . . . 0.558 HD12 ' H ' ' B' ' 614' ' ' LEU . 0.2 OUTLIER -70.23 -164.45 0.08 Allowed 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.54 1.15 . . . . 75.010000000000005 109.31 179.945 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 615' ' ' GLY . . . . . 0.448 ' O ' ' N ' ' B' ' 618' ' ' VAL . . . 147.45 -104.1 0.28 Allowed Glycine 0 CA--C 1.529 0.924 0 O-C-N 124.53 1.144 . . . . 55.229999999999997 111.033 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 616' ' ' ASN . . . . . . . . . . . . . 58.9 t30 -43.88 133.38 4.92 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.431 0.724 . . . . 73.319999999999993 109.338 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 617' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 46.2 33.51 1.81 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.566 1.166 . . . . 64.209999999999994 109.263 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 618' ' ' VAL . . . . . 0.753 HG12 ' O ' ' B' ' 618' ' ' VAL . 66.5 t 39.66 47.41 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.53 1.144 . . . . 73.239999999999995 109.369 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 619' ' ' PHE . . . . . 0.566 ' CG ' ' O ' ' B' ' 618' ' ' VAL . 4.6 m-85 -171.74 144.52 1.83 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.506 1.129 . . . . 72.230000000000004 111.027 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 620' ' ' GLU . . . . . 0.444 ' OE2' ' N ' ' B' ' 621' ' ' TRP . 1.2 pp20? -134.98 -53.32 0.8 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.433 1.083 . . . . 53.420000000000002 110.337 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 621' ' ' TRP . . . . . 0.64 ' CZ3' ' NH2' ' B' ' 613' ' ' ARG . 3.1 p90 -75.55 170.5 16.02 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.48 1.112 . . . . 73.319999999999993 108.083 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 622' ' ' GLU . . . . . 0.625 ' O ' ' CD1' ' B' ' 621' ' ' TRP . 3.1 pt-20 -58.64 -173.79 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.132 . . . . 64.150000000000006 110.257 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 623' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 59.57 68.89 0.75 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 72.319999999999993 109.352 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 624' ' ' ASP . . . . . . . . . . . . . 20.3 t0 -76.57 -55.72 5.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.429 1.081 . . . . 63.210000000000001 109.291 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 625' ' ' GLU . . . . . 0.41 ' O ' ' C ' ' B' ' 626' ' ' SER . 0.4 OUTLIER -131.21 6.22 4.51 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.523 1.14 . . . . 75.099999999999994 110.279 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 626' ' ' SER . . . . . 0.41 ' C ' ' O ' ' B' ' 625' ' ' GLU . 10.1 t -38.24 153.48 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.445 1.091 . . . . 72.439999999999998 110.056 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 627' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -86.44 8.84 20.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.556 1.16 . . . . 61.450000000000003 109.238 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 628' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -61.42 -23.04 65.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.1 . . . . 70.040000000000006 110.274 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 629' ' ' ILE . . . . . 0.701 ' C ' HG11 ' A' ' 63' ' ' VAL . 0.8 OUTLIER -95.95 14.38 3.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 O-C-N 124.421 1.075 . . . . 61.409999999999997 109.301 179.957 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 630' ' ' ALA . . . . . 0.767 ' HA ' HG22 ' A' ' 63' ' ' VAL . . . . . . . . 0 C--N 1.323 -0.576 0 O-C-N 124.569 1.168 . . . . 73.25 109.348 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 0' ' ' HIS . . . . . . . . . . . . . 72.1 m-70 . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.591 -0.522 . . . . 72.510000000000005 109.591 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.5 ptp -136.08 -173.93 3.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 71.219999999999999 111.039 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.84 ' HZ2' ' C ' ' A' ' 36' ' ' ALA . 20.3 mtpt -135.14 -46.64 0.71 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.546 1.153 . . . . 64.099999999999994 109.303 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.485 ' CB ' ' CZ ' ' A' ' 47' ' ' ARG . 60.7 p -78.61 132.97 37.31 Favored 'General case' 0 C--N 1.327 -0.402 0 O-C-N 124.484 1.115 . . . . 61.210000000000001 110.009 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.641 ' HG1' ' HA ' ' A' ' 46' ' ' LYS . 4.6 p -127.4 -58.35 1.26 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.634 1.209 . . . . 74.439999999999998 110.372 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.601 ' CZ ' ' OH ' ' A' ' 9' ' ' TYR . 40.1 t80 -56.23 -24.89 45.13 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.525 1.141 . . . . 75.109999999999999 111.016 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.551 ' CG ' ' NH2' ' A' ' 14' ' ' ARG . 0.2 OUTLIER -100.63 -24.42 14.44 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.472 1.108 . . . . 72.109999999999999 109.258 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 22.7 t -73.05 -3.23 24.97 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.525 1.141 . . . . 63.350000000000001 109.983 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.871 ' HE2' ' HG2' ' B' ' 612' ' ' GLU . 1.3 tp10 -86.49 -52.06 5.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 75.049999999999997 110.304 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.73 ' CZ ' HG12 ' B' ' 618' ' ' VAL . 2.8 p90 -124.88 166.68 18.93 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.546 1.154 . . . . 62.130000000000003 110.96 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -177.11 3.24 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.488 1.783 . . . . 44.439999999999998 110.983 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.542 ' CE2' ' HB3' ' A' ' 102' ' ' ASP . 20.2 t80 -62.42 -60.91 2.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 73.120000000000005 110.991 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -38.84 -31.4 0.06 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.565 1.166 . . . . 72.25 110.254 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.497 ' CB ' ' HB2' ' A' ' 9' ' ' TYR . 15.9 mmtt -70.97 -54.6 10.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 72.310000000000002 109.319 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.573 ' HD2' ' CD1' ' A' ' 104' ' ' PHE . 4.0 tpp85 -55.42 -60.19 3.75 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.478 1.111 . . . . 72.400000000000006 110.247 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.41 ' CG ' ' N ' ' A' ' 16' ' ' ALA . 27.0 pttt -42.13 -46.52 4.36 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.431 1.082 . . . . 63.020000000000003 109.388 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.496 ' HB3' ' O ' ' A' ' 13' ' ' LYS . . . -50.94 -45.89 60.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.613 1.196 . . . . 52.130000000000003 109.343 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.59 ' HG2' HD13 ' A' ' 21' ' ' ILE . 62.9 tt0 -50.18 -33.74 20.25 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.47 1.106 . . . . 64.25 110.273 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -80.12 -23.93 40.86 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.507 1.129 . . . . 73.400000000000006 109.938 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.425 ' N ' ' O ' ' A' ' 16' ' ' ALA . 71.3 mt-10 -68.96 -28.28 66.49 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.522 1.139 . . . . 72.310000000000002 110.357 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.407 ' HG3' ' N ' ' A' ' 21' ' ' ILE . 5.2 ptp180 -100.73 -34.27 9.92 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.441 1.088 . . . . 74.030000000000001 110.249 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.59 HD13 ' HG2' ' A' ' 17' ' ' GLU . 8.1 mt -65.55 -20.88 28.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.487 1.117 . . . . 70.129999999999995 109.247 -179.921 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -83.12 -15.11 52.05 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.494 1.121 . . . . 53.32 109.273 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -105.87 -23.45 12.68 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.518 1.136 . . . . 74.040000000000006 109.29 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 11.2 mtm180 -91.85 -54.38 3.88 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.531 1.144 . . . . 72.200000000000003 110.273 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.414 ' HB3' ' CG ' ' A' ' 28' ' ' ARG . 3.1 m-85 -131.62 84.94 53.68 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 64.319999999999993 111.031 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.95 -27.8 9.81 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.496 1.788 . . . . 74.200000000000003 110.962 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 77.2 m-20 -92.06 37.42 0.98 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.451 1.094 . . . . 72.439999999999998 109.296 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.414 ' CG ' ' HB3' ' A' ' 25' ' ' PHE . 10.1 mmt-85 -119.14 174.09 6.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.107 . . . . 75.129999999999995 110.227 -179.894 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.717 HG23 ' CB ' ' A' ' 95' ' ' TYR . 13.0 mm -137.27 91.51 14.43 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.122 . . . . 73.209999999999994 109.252 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.747 ' HA ' HD23 ' A' ' 50' ' ' LEU . 18.1 Cg_endo -75.01 103.85 1.8 Allowed 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.556 1.819 . . . . 64.019999999999996 111.003 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.497 ' HA ' ' CB ' ' A' ' 105' ' ' LEU . 2.4 p -119.58 165.36 15.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.587 1.179 . . . . 75.340000000000003 109.265 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.56 ' CD1' ' NH2' ' A' ' 14' ' ' ARG . 5.8 mm -127.65 106.21 14.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.45 1.094 . . . . 65.239999999999995 109.389 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.865 ' HG ' HD13 ' A' ' 64' ' ' ILE . 1.4 t -81.52 124.98 29.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.103 . . . . 43.200000000000003 108.25 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.899 ' HB3' HG21 ' A' ' 108' ' ' THR . 73.3 tt0 -122.26 160.69 24.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.578 1.173 . . . . 74.129999999999995 110.242 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.684 ' HZ1' ' HB3' ' A' ' 39' ' ' SER . 0.3 OUTLIER -109.17 120.08 41.46 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.459 1.099 . . . . 74.109999999999999 109.331 -179.974 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.84 ' C ' ' HZ2' ' A' ' 2' ' ' LYS . . . -49.87 169.07 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 61.539999999999999 109.268 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.473 ' N ' ' HZ2' ' A' ' 2' ' ' LYS . 17.7 pt-20 -94.47 -49.78 5.52 Favored 'General case' 0 C--N 1.326 -0.413 0 O-C-N 124.481 1.113 . . . . 72.099999999999994 110.244 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.438 ' N ' ' CG ' ' A' ' 37' ' ' GLU . 48.8 mttm -58.4 -22.39 53.82 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.527 1.142 . . . . 70.129999999999995 109.293 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.684 ' HB3' ' HZ1' ' A' ' 35' ' ' LYS . 0.8 OUTLIER -57.21 162.73 2.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 61.219999999999999 110.015 -179.973 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 24.5 m-20 -123.55 1.11 8.88 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.129 . . . . 65.120000000000005 109.217 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.59 HD12 ' CE2' ' A' ' 109' ' ' TYR . 0.1 OUTLIER -74.65 166.41 45.44 Favored Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.407 1.067 . . . . 75.430000000000007 109.282 179.978 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . 0.45 ' O ' HG21 ' A' ' 68' ' ' ILE . 18.0 Cg_endo -75.05 123.27 7.74 Favored 'Trans proline' 0 C--N 1.362 1.238 0 O-C-N 124.502 1.79 . . . . 64.400000000000006 111.0 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 17.9 tt0 -56.58 161.85 2.52 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.473 1.108 . . . . 74.430000000000007 110.319 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 1.039 ' CD1' ' HH ' ' A' ' 49' ' ' TYR . 15.4 tt -88.36 169.36 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.485 1.116 . . . . 73.530000000000001 109.256 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . 0.403 ' H ' ' CG1' ' A' ' 44' ' ' ILE . 19.0 m-20 -71.42 -48.65 48.35 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.523 1.139 . . . . 74.129999999999995 109.355 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.641 ' HA ' ' HG1' ' A' ' 4' ' ' THR . 0.0 OUTLIER -150.9 167.76 26.56 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 72.310000000000002 109.285 -179.958 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.543 ' O ' HG23 ' A' ' 32' ' ' ILE . 11.9 mtm180 -108.39 94.63 5.17 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.461 1.101 . . . . 73.310000000000002 110.303 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.584 ' HZ3' HD21 ' A' ' 50' ' ' LEU . 35.4 tptt -166.9 106.46 0.61 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.13 . . . . 65.409999999999997 109.285 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 1.039 ' HH ' ' CD1' ' A' ' 44' ' ' ILE . 23.0 m-85 -130.08 103.27 6.65 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.426 1.079 . . . . 72.340000000000003 110.973 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.747 HD23 ' HA ' ' A' ' 30' ' ' PRO . 0.6 OUTLIER -92.29 77.14 5.21 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.561 1.163 . . . . 74.329999999999998 109.279 -179.986 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.684 HG12 ' HB2' ' B' ' 630' ' ' ALA . 28.8 m -83.61 152.28 63.25 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.551 1.157 . . . . 63.399999999999999 109.328 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . 0.423 ' HD3' ' CB ' ' B' ' 630' ' ' ALA . 18.2 Cg_endo -74.97 -179.34 4.88 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.553 1.817 . . . . 72.439999999999998 110.984 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -91.46 19.11 6.44 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.522 1.139 . . . . 72.450000000000003 109.251 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -117.54 -38.68 3.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.571 1.169 . . . . 72.409999999999997 109.305 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.618 HD12 ' N ' ' A' ' 56' ' ' THR . 0.0 OUTLIER -56.14 131.93 49.01 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.437 1.085 . . . . 73.349999999999994 109.32 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.618 ' N ' HD12 ' A' ' 55' ' ' LEU . 1.0 OUTLIER -94.11 -174.88 3.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.45 1.094 . . . . 33.539999999999999 110.359 -179.921 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 3.1 t -72.79 -62.8 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 60.439999999999998 109.355 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -55.0 -23.49 31.69 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.413 1.07 . . . . 73.230000000000004 111.041 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . 0.503 ' CB ' ' CD1' ' A' ' 55' ' ' LEU . 9.6 mt-30 -89.12 -25.87 21.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 0.771 . . . . 74.530000000000001 110.27 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.597 ' CD1' HG11 ' A' ' 51' ' ' VAL . 40.7 t80 -70.83 -37.47 73.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 73.030000000000001 110.942 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.768 HG13 ' CG2' ' A' ' 76' ' ' ILE . 68.8 t -51.49 -46.01 35.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.124 . . . . 73.010000000000005 109.321 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.6 ' CD1' ' O ' ' A' ' 62' ' ' TYR . 0.1 OUTLIER -46.71 -27.13 1.08 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.134 . . . . 74.540000000000006 111.044 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.868 HG22 ' HA ' ' B' ' 630' ' ' ALA . 60.0 t -78.11 -38.12 23.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 65.319999999999993 109.274 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.865 HD13 ' HG ' ' A' ' 33' ' ' CYS . 3.9 mm -69.57 -38.91 77.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.45 1.094 . . . . 74.049999999999997 109.241 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.456 ' CD ' ' HB3' ' A' ' 70' ' ' LEU . 6.2 tpp85 -72.91 -3.47 25.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.567 1.167 . . . . 63.25 110.386 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 2.3 mttm -94.25 -42.16 9.08 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.115 . . . . 71.450000000000003 109.283 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.451 ' HG3' HD12 ' A' ' 44' ' ' ILE . 4.9 mmp_? -60.94 -38.59 86.38 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.418 1.074 . . . . 74.150000000000006 110.272 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.45 HG21 ' O ' ' A' ' 42' ' ' PRO . 2.9 pt -104.23 4.06 10.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.387 1.054 . . . . 74.209999999999994 109.314 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 3.8 ptt? 37.32 31.4 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.439 1.087 . . . . 64.340000000000003 110.951 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.49 ' HA ' HD12 ' A' ' 70' ' ' LEU . 5.5 tp -49.27 140.3 12.89 Favored Pre-proline 0 C--N 1.323 -0.544 0 O-C-N 124.53 1.144 . . . . 62.43 109.209 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' ' 70' ' ' LEU . 18.2 Cg_endo -74.99 170.32 20.68 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.42 1.747 . . . . 75.310000000000002 110.952 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 -1.87 11.78 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.519 1.8 . . . . 73.310000000000002 110.968 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -89.27 3.31 52.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.589 1.181 . . . . 75.109999999999999 110.28 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 6.8 mttm -124.36 179.57 4.86 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.432 1.082 . . . . 74.239999999999995 109.306 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -137.9 163.67 30.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 54.009999999999998 109.288 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.785 HD12 ' CD2' ' A' ' 109' ' ' TYR . 2.2 tt -155.63 115.56 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.454 1.096 . . . . 71.129999999999995 109.308 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . 0.549 ' CE1' ' HB2' ' A' ' 113' ' ' ASN . 71.1 m-85 -112.51 134.79 53.85 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.494 1.121 . . . . 70.230000000000004 111.028 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.704 ' O ' HD21 ' A' ' 84' ' ' LEU . 5.1 mm -84.6 129.22 38.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 70.040000000000006 109.288 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . 0.432 ' CE1' ' HG ' ' A' ' 84' ' ' LEU . 3.4 m-85 -123.66 119.13 28.94 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.501 1.126 . . . . 63.119999999999997 111.061 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.762 ' O ' HG23 ' A' ' 83' ' ' THR . 1.8 t -115.48 101.78 12.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.49 1.119 . . . . 75.209999999999994 109.306 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . 0.492 ' O ' ' CB ' ' A' ' 82' ' ' ASP . 2.1 m-80 72.25 23.45 3.29 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.145 . . . . 74.420000000000002 109.299 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . 0.492 ' CB ' ' O ' ' A' ' 81' ' ' ASN . 0.3 OUTLIER 82.24 20.37 0.29 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.447 1.092 . . . . 75.129999999999995 109.275 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' THR . . . . . 0.762 HG23 ' O ' ' A' ' 80' ' ' VAL . 1.2 t -120.52 141.39 50.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 74.25 110.466 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.704 HD21 ' O ' ' A' ' 78' ' ' ILE . 3.6 mt -104.63 106.04 52.93 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.573 1.171 . . . . 64.219999999999999 109.314 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 165.94 30.31 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.479 1.779 . . . . 73.140000000000001 110.996 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . 0.69 ' HG2' ' HB2' ' A' ' 89' ' ' ALA . 18.1 Cg_endo -75.01 -170.8 0.83 Allowed 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.548 1.815 . . . . 70.439999999999998 110.963 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 4.4 p -93.33 -34.58 13.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.535 1.147 . . . . 62.409999999999997 110.378 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -83.27 6.77 18.51 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 71.439999999999998 109.283 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 1.055 ' HB1' HD12 ' A' ' 94' ' ' ILE . . . -76.33 60.03 1.49 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.465 1.103 . . . . 73.430000000000007 109.29 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.594 ' C ' ' O ' ' A' ' 89' ' ' ALA . 0.4 OUTLIER -23.99 123.12 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.455 1.097 . . . . 71.209999999999994 109.335 179.957 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' MET . . . . . 0.493 ' HE1' ' HB3' ' A' ' 91' ' ' MET . 47.2 mmm -48.57 -21.64 0.61 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.597 1.186 . . . . 71.209999999999994 111.018 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' SER . . . . . 0.482 ' HA ' HD13 ' A' ' 29' ' ' ILE . 43.1 t -68.22 -49.33 61.44 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.39 1.057 . . . . 61.219999999999999 110.019 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -69.13 -22.26 63.97 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.482 1.114 . . . . 70.439999999999998 109.365 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 1.055 HD12 ' HB1' ' A' ' 89' ' ' ALA . 10.8 mm -79.7 -41.12 21.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 O-C-N 124.475 1.109 . . . . 61.530000000000001 109.333 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . 0.717 ' CB ' HG23 ' A' ' 29' ' ' ILE . 1.2 t80 -75.72 -4.81 42.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.456 1.098 . . . . 52.140000000000001 111.007 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . 0.437 ' O ' ' CG ' ' A' ' 96' ' ' GLN . 0.6 OUTLIER -104.15 -9.84 18.39 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.417 1.073 . . . . 73.329999999999998 110.24 -179.978 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -121.11 -4.77 9.52 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.595 1.184 . . . . 70.129999999999995 110.237 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . 0.694 ' CD2' HG11 ' A' ' 80' ' ' VAL . 11.2 m-70 -125.53 12.4 8.06 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.577 1.173 . . . . 62.030000000000001 109.667 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.55 ' HA ' HD23 ' A' ' 105' ' ' LEU . 0.0 OUTLIER -65.6 167.28 9.24 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.454 1.096 . . . . 60.420000000000002 109.317 -179.95 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -138.22 177.98 7.47 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 64.510000000000005 109.269 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.403 ' C ' ' N ' ' A' ' 103' ' ' GLY . 20.3 mmmt -51.39 -57.67 8.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.626 1.204 . . . . 74.239999999999995 109.312 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . 0.542 ' HB3' ' CE2' ' A' ' 11' ' ' PHE . 0.5 OUTLIER -44.77 -27.91 0.57 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 52.350000000000001 109.343 -179.993 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . 0.403 ' N ' ' C ' ' A' ' 101' ' ' LYS . . . 94.66 -9.4 71.18 Favored Glycine 0 CA--C 1.531 1.083 0 O-C-N 124.63 1.206 . . . . 42.140000000000001 110.975 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . 0.573 ' CD1' ' HD2' ' A' ' 14' ' ' ARG . 1.8 m-85 -90.78 165.66 13.53 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.481 0.753 . . . . 73.230000000000004 111.007 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.708 HD21 ' CD1' ' A' ' 95' ' ' TYR . 0.3 OUTLIER -100.2 160.91 13.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.584 1.178 . . . . 74.420000000000002 109.274 -179.983 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 62.1 m-85 -145.03 93.55 2.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.54 1.15 . . . . 64.400000000000006 110.944 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . 0.604 ' CG2' ' CG2' ' A' ' 78' ' ' ILE . 8.5 p -102.71 173.55 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.561 1.163 . . . . 71.319999999999993 109.293 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' THR . . . . . 0.899 HG21 ' HB3' ' A' ' 34' ' ' GLU . 0.2 OUTLIER -147.74 151.17 35.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 74.209999999999994 110.336 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' TYR . . . . . 0.785 ' CD2' HD12 ' A' ' 76' ' ' ILE . 41.1 p90 -136.22 131.79 35.01 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.409 1.068 . . . . 63.539999999999999 110.985 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 41.3 t -132.99 152.44 51.95 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.495 1.122 . . . . 73.5 109.956 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -79.09 4.03 63.64 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.475 1.109 . . . . 54.340000000000003 110.95 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -126.06 124.52 40.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.574 0.808 . . . . 65.25 110.298 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . 0.549 ' HB2' ' CE1' ' A' ' 77' ' ' PHE . 60.8 t-20 -89.65 49.96 1.82 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.111 . . . . 71.129999999999995 109.337 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' THR . . . . . 0.647 HG23 ' H ' ' A' ' 115' ' ' PHE . 8.2 m -132.89 -178.09 4.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.145 . . . . 73.219999999999999 110.437 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . 0.647 ' H ' HG23 ' A' ' 114' ' ' THR . 3.2 p90 -118.94 99.2 6.59 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.587 1.179 . . . . 74.329999999999998 110.941 -179.907 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . 0.413 ' HA2' ' CD ' ' A' ' 38' ' ' LYS . . . . . . . . 0 CA--C 1.531 1.037 0 O-C-N 124.471 1.107 . . . . 63.520000000000003 111.02 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 597' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.018 0 N-CA-C 111.048 -0.821 . . . . 75.340000000000003 111.048 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 598' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.01 107.24 2.44 Favored 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.557 1.82 . . . . 62.549999999999997 111.017 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 599' ' ' HIS . . . . . . . . . . . . . 22.7 m-70 -149.31 148.92 30.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 61.329999999999998 109.587 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 600' ' ' MET . . . . . 0.638 ' O ' HD11 ' B' ' 601' ' ' ILE . 15.5 ttt -142.62 128.87 19.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 71.310000000000002 111.0 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 601' ' ' ILE . . . . . 0.638 HD11 ' O ' ' B' ' 600' ' ' MET . 7.2 mm -134.17 159.38 42.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 72.439999999999998 109.268 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 602' ' ' SER . . . . . 0.401 ' O ' ' C ' ' B' ' 603' ' ' GLY . 3.5 m -39.42 -76.06 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.4 1.062 . . . . 55.439999999999998 109.957 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 603' ' ' GLY . . . . . 0.439 ' O ' ' N ' ' B' ' 605' ' ' SER . . . 37.84 90.93 0.01 OUTLIER Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.542 1.151 . . . . 71.310000000000002 111.012 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 604' ' ' LEU . . . . . 0.776 ' O ' HD21 ' B' ' 604' ' ' LEU . 5.3 tt -40.48 98.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 0.779 . . . . 63.329999999999998 109.319 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 605' ' ' SER . . . . . 0.439 ' N ' ' O ' ' B' ' 603' ' ' GLY . 5.4 m -164.31 -175.51 3.97 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 73.049999999999997 109.963 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 606' ' ' VAL . . . . . 0.535 HG12 ' N ' ' B' ' 607' ' ' ILE . 61.5 t -53.6 165.86 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.456 1.097 . . . . 74.109999999999999 109.319 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 607' ' ' ILE . . . . . 0.559 HG22 ' N ' ' B' ' 608' ' ' LYS . 15.6 mm -56.32 167.08 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.573 1.171 . . . . 71.450000000000003 109.254 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 608' ' ' LYS . . . . . 0.559 ' N ' HG22 ' B' ' 607' ' ' ILE . 0.0 OUTLIER -129.57 121.27 26.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 71.519999999999996 109.286 179.923 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 609' ' ' GLN . . . . . 0.471 ' N ' ' HZ1' ' B' ' 608' ' ' LYS . 3.7 mp0 -117.83 137.6 52.65 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 75.510000000000005 110.248 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 610' ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 -41.25 162.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 74.310000000000002 110.301 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 611' ' ' VAL . . . . . 0.716 HG21 ' O ' ' B' ' 614' ' ' LEU . 0.2 OUTLIER -159.12 145.16 7.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.515 1.135 . . . . 74.530000000000001 109.328 -179.96 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 612' ' ' GLU . . . . . 0.871 ' HG2' ' HE2' ' A' ' 8' ' ' GLU . 2.6 pt-20 -104.9 -43.42 5.08 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.379 1.049 . . . . 72.219999999999999 110.248 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 613' ' ' ARG . . . . . 0.407 ' CG ' ' N ' ' B' ' 614' ' ' LEU . 8.3 ptp180 -146.76 -45.67 0.18 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.544 1.153 . . . . 71.310000000000002 110.233 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 614' ' ' LEU . . . . . 0.716 ' O ' HG21 ' B' ' 611' ' ' VAL . 2.3 pp -113.1 -170.85 1.76 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.502 1.126 . . . . 75.010000000000005 109.298 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 615' ' ' GLY . . . . . 0.462 ' O ' ' N ' ' B' ' 618' ' ' VAL . . . 140.59 -90.73 0.18 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.548 1.155 . . . . 55.229999999999997 110.947 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 616' ' ' ASN . . . . . 0.443 ' N ' ' OE1' ' B' ' 620' ' ' GLU . 9.8 t30 -41.75 144.14 0.44 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.394 0.702 . . . . 73.319999999999993 109.317 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 617' ' ' ASP . . . . . 0.45 ' C ' ' CG2' ' B' ' 618' ' ' VAL . 72.4 m-20 48.35 24.2 0.68 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 64.209999999999994 109.285 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 618' ' ' VAL . . . . . 0.73 HG12 ' CZ ' ' A' ' 9' ' ' TYR . 0.0 OUTLIER 40.81 29.08 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 73.239999999999995 109.286 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 619' ' ' PHE . . . . . 0.604 ' CE2' ' O ' ' B' ' 624' ' ' ASP . 2.9 m-85 -174.6 92.31 0.07 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.538 1.149 . . . . 72.230000000000004 111.004 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 620' ' ' GLU . . . . . 0.463 ' CG ' ' HA ' ' B' ' 614' ' ' LEU . 12.9 mt-10 -101.11 2.51 40.35 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.493 1.121 . . . . 53.420000000000002 110.324 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 621' ' ' TRP . . . . . 0.577 ' CD1' ' O ' ' B' ' 622' ' ' GLU . 8.3 p90 -118.13 -169.29 1.67 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.546 1.154 . . . . 73.319999999999993 107.947 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 622' ' ' GLU . . . . . 0.577 ' O ' ' CD1' ' B' ' 621' ' ' TRP . 4.5 pt-20 -78.49 -174.55 3.87 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.545 1.153 . . . . 64.150000000000006 110.288 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 623' ' ' ASP . . . . . 0.474 ' OD1' ' CB ' ' B' ' 626' ' ' SER . 18.6 m-20 45.11 77.05 0.08 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.569 1.168 . . . . 72.319999999999993 109.298 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 624' ' ' ASP . . . . . 0.604 ' O ' ' CE2' ' B' ' 619' ' ' PHE . 0.9 OUTLIER -77.56 -47.44 19.46 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.444 1.09 . . . . 63.210000000000001 109.369 179.957 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 625' ' ' GLU . . . . . 0.451 ' N ' ' CG ' ' B' ' 624' ' ' ASP . 0.2 OUTLIER -129.62 6.85 5.21 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.621 1.2 . . . . 75.099999999999994 110.265 179.95 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 626' ' ' SER . . . . . 0.474 ' CB ' ' OD1' ' B' ' 623' ' ' ASP . 2.5 t -39.11 152.85 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 72.439999999999998 110.011 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 627' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -76.01 -1.93 28.15 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.465 1.103 . . . . 61.450000000000003 109.267 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 628' ' ' GLU . . . . . 0.555 ' O ' HG13 ' A' ' 63' ' ' VAL . 14.4 pt-20 -52.38 -29.0 21.91 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.398 1.061 . . . . 70.040000000000006 110.285 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 629' ' ' ILE . . . . . 0.638 ' C ' HG11 ' A' ' 63' ' ' VAL . 0.9 OUTLIER -97.85 29.92 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.458 1.099 . . . . 61.409999999999997 109.299 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 630' ' ' ALA . . . . . 0.868 ' HA ' HG22 ' A' ' 63' ' ' VAL . . . . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 73.25 109.257 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 0' ' ' HIS . . . . . . . . . . . . . 36.2 m80 . . . . . 0 N--CA 1.454 -0.249 0 N-CA-C 109.631 -0.507 . . . . 72.510000000000005 109.631 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.657 ' CE ' ' HG ' ' A' ' 7' ' ' SER . 2.3 mtm -92.7 -168.77 2.03 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.52 1.138 . . . . 71.219999999999999 110.977 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 55.3 mttt -137.65 -73.64 0.41 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.49 1.119 . . . . 64.099999999999994 109.334 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.415 ' HG ' HH11 ' A' ' 47' ' ' ARG . 27.7 m -52.99 172.21 0.05 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.549 1.155 . . . . 61.210000000000001 109.967 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.72 ' HG1' ' CB ' ' A' ' 46' ' ' LYS . 40.7 p -146.76 -76.58 0.19 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.432 1.083 . . . . 74.439999999999998 110.408 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.604 ' CZ ' ' OH ' ' A' ' 9' ' ' TYR . 32.1 t80 -57.49 -18.49 19.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.635 1.21 . . . . 75.109999999999999 111.024 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.434 ' HG3' ' CZ ' ' A' ' 14' ' ' ARG . 0.0 OUTLIER -101.11 -50.62 3.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.563 1.164 . . . . 72.109999999999999 109.342 179.923 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.657 ' HG ' ' CE ' ' A' ' 1' ' ' MET . 7.0 t -65.09 -10.91 34.28 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.594 1.184 . . . . 63.350000000000001 109.943 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.785 ' HB2' ' HE2' ' B' ' 612' ' ' GLU . 3.5 tp10 -64.74 -62.39 1.6 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.644 1.215 . . . . 75.049999999999997 110.227 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.691 ' CZ ' HG13 ' B' ' 618' ' ' VAL . 1.8 p90 -117.52 167.45 11.02 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.116 . . . . 62.130000000000003 111.121 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.4 ' HD2' ' HB2' ' A' ' 9' ' ' TYR . 18.4 Cg_endo -75.0 -176.59 2.96 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.526 1.803 . . . . 44.439999999999998 111.014 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.464 ' O ' ' N ' ' A' ' 14' ' ' ARG . 15.7 t80 -62.76 -58.21 8.25 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.54 1.15 . . . . 73.120000000000005 110.967 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 -40.4 -30.47 0.11 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.476 1.11 . . . . 72.25 110.224 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.51 ' CB ' ' HB2' ' A' ' 9' ' ' TYR . 0.2 OUTLIER -73.04 -50.43 23.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 72.310000000000002 109.348 -179.982 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.65 ' NH2' ' CE1' ' A' ' 106' ' ' TYR . 3.2 mmm180 -56.51 -60.44 3.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.104 . . . . 72.400000000000006 110.277 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 26.7 pttt -42.82 -42.32 3.57 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.523 1.139 . . . . 63.020000000000003 109.276 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.439 ' HB3' ' O ' ' A' ' 13' ' ' LYS . . . -60.59 -46.63 89.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 52.130000000000003 109.259 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.539 ' OE2' ' CD1' ' B' ' 619' ' ' PHE . 27.7 tp10 -62.05 -37.48 85.13 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.613 1.195 . . . . 64.25 110.275 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.3 p -75.92 -27.95 57.82 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.481 1.113 . . . . 73.400000000000006 109.99 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -60.98 -26.82 67.84 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.44 1.087 . . . . 72.310000000000002 110.249 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.455 ' O ' ' N ' ' A' ' 24' ' ' ARG . 1.1 mtm180 -98.04 -44.42 6.65 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.538 1.149 . . . . 74.030000000000001 110.309 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.432 HD13 ' CZ ' ' A' ' 104' ' ' PHE . 7.3 mt -54.76 -26.7 17.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.519 1.137 . . . . 70.129999999999995 109.319 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -83.6 -23.73 31.79 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.566 1.167 . . . . 53.32 109.348 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -97.23 -6.29 34.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.147 . . . . 74.040000000000006 109.323 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.455 ' N ' ' O ' ' A' ' 20' ' ' ARG . 38.3 mtm180 -107.83 -51.56 2.89 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.598 1.186 . . . . 72.200000000000003 110.271 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.501 ' CD2' HD22 ' A' ' 50' ' ' LEU . 1.1 m-85 -120.71 80.77 32.39 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.552 1.157 . . . . 64.319999999999993 110.989 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 -25.85 11.45 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.508 1.794 . . . . 74.200000000000003 110.945 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 21.9 m-20 -93.23 27.99 2.34 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.536 1.147 . . . . 72.439999999999998 109.366 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.458 ' CG ' ' HB3' ' A' ' 25' ' ' PHE . 1.0 OUTLIER -123.9 -179.97 4.6 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.481 1.113 . . . . 75.129999999999995 110.295 179.97 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.488 HG23 ' CB ' ' A' ' 95' ' ' TYR . 24.8 mm -142.09 99.47 6.02 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.471 1.107 . . . . 73.209999999999994 109.255 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.572 ' HD2' ' CE2' ' A' ' 95' ' ' TYR . 18.3 Cg_endo -74.97 123.91 8.25 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.541 1.811 . . . . 64.019999999999996 111.029 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.521 ' O ' HD11 ' A' ' 32' ' ' ILE . 1.0 OUTLIER -138.85 173.24 12.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.594 1.184 . . . . 75.340000000000003 109.286 179.974 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.719 HG22 ' HB3' ' A' ' 47' ' ' ARG . 4.6 mm -138.46 109.92 5.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.595 1.185 . . . . 65.239999999999995 109.336 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.751 ' HG ' HD13 ' A' ' 64' ' ' ILE . 0.5 OUTLIER -83.7 148.55 27.02 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.139 . . . . 43.200000000000003 108.322 -179.955 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.899 ' HB3' HG21 ' A' ' 108' ' ' THR . 5.1 tm-20 -146.3 171.47 14.93 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.506 1.129 . . . . 74.129999999999995 110.287 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.692 ' HZ3' ' HA ' ' A' ' 43' ' ' GLU . 0.0 OUTLIER -116.75 125.84 52.25 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.52 1.137 . . . . 74.109999999999999 109.39 -179.976 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.531 ' HB3' ' HB2' ' A' ' 110' ' ' SER . . . -57.77 177.77 0.1 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.537 1.148 . . . . 61.539999999999999 109.242 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.445 ' CG ' ' N ' ' A' ' 38' ' ' LYS . 11.6 pt-20 -96.11 -51.23 4.51 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.484 1.115 . . . . 72.099999999999994 110.257 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.686 ' HB3' ' HZ3' ' A' ' 38' ' ' LYS . 0.3 OUTLIER -54.09 -45.04 71.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.445 1.091 . . . . 70.129999999999995 109.375 179.971 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.432 ' HG ' ' HD3' ' A' ' 35' ' ' LYS . 3.9 t -41.24 157.05 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 61.219999999999999 109.988 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -117.22 -4.93 11.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.128 . . . . 65.120000000000005 109.304 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.452 ' CG2' ' HA3' ' A' ' 111' ' ' GLY . 0.2 OUTLIER -62.97 163.16 17.48 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.596 1.185 . . . . 75.430000000000007 109.279 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 129.12 12.04 Favored 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.562 1.822 . . . . 64.400000000000006 110.94 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.692 ' HA ' ' HZ3' ' A' ' 35' ' ' LYS . 6.0 tt0 -53.85 163.0 0.79 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.508 1.13 . . . . 74.430000000000007 110.283 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 1.062 ' CD1' ' HH ' ' A' ' 49' ' ' TYR . 12.3 tt -93.22 167.31 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 73.530000000000001 109.27 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . 0.625 ' HD2' ' HE3' ' A' ' 46' ' ' LYS . 6.7 p-10 -60.75 -55.82 28.62 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.553 1.158 . . . . 74.129999999999995 109.217 -179.883 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.72 ' CB ' ' HG1' ' A' ' 4' ' ' THR . 0.1 OUTLIER -155.44 179.61 9.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 72.310000000000002 109.275 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.719 ' HB3' HG22 ' A' ' 32' ' ' ILE . 6.2 mtp180 -108.13 94.65 5.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.455 1.097 . . . . 73.310000000000002 110.339 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.802 ' HB3' ' HZ3' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -166.11 110.04 0.8 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.563 1.164 . . . . 65.409999999999997 109.261 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 1.062 ' HH ' ' CD1' ' A' ' 44' ' ' ILE . 27.3 m-85 -140.35 118.24 11.79 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.427 1.079 . . . . 72.340000000000003 111.05 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.501 HD22 ' CD2' ' A' ' 25' ' ' PHE . 1.0 OUTLIER -104.41 77.14 1.36 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.424 1.078 . . . . 74.329999999999998 109.34 179.972 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.55 HG12 ' HA ' ' B' ' 630' ' ' ALA . 27.8 m -77.7 148.76 76.81 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.147 . . . . 63.399999999999999 109.356 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -178.32 4.07 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.397 1.735 . . . . 72.439999999999998 111.06 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -93.36 18.2 10.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 72.450000000000003 109.194 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -118.96 -38.48 3.06 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.567 1.167 . . . . 72.409999999999997 109.302 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.979 HD21 ' HB1' ' B' ' 630' ' ' ALA . 0.0 OUTLIER -58.16 131.96 52.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 73.349999999999994 109.338 179.958 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.567 ' N ' HD12 ' A' ' 55' ' ' LEU . 1.2 p -92.95 -170.35 2.41 Favored 'General case' 0 C--N 1.323 -0.576 0 O-C-N 124.545 1.153 . . . . 33.539999999999999 110.45 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 2.7 t -76.84 -62.49 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.134 . . . . 60.439999999999998 109.268 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -57.19 -24.12 49.99 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.471 1.107 . . . . 73.230000000000004 110.925 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . 0.533 ' CB ' ' CD1' ' A' ' 55' ' ' LEU . 29.1 mt-30 -83.58 -27.39 29.27 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.546 0.792 . . . . 74.530000000000001 110.266 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.894 ' CE1' HD12 ' A' ' 64' ' ' ILE . 1.4 t80 -69.81 -46.32 65.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.454 1.096 . . . . 73.030000000000001 110.997 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.819 HG13 ' CG2' ' A' ' 76' ' ' ILE . 52.1 t -39.96 -48.41 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.529 1.143 . . . . 73.010000000000005 109.377 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.596 ' C ' ' CD1' ' A' ' 62' ' ' TYR . 0.0 OUTLIER -44.13 -45.41 8.2 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.449 1.093 . . . . 74.540000000000006 110.967 179.948 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.885 HG22 ' C ' ' B' ' 630' ' ' ALA . 86.4 t -63.65 -37.82 80.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.41 1.069 . . . . 65.319999999999993 109.266 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.894 HD12 ' CE1' ' A' ' 60' ' ' PHE . 19.0 mm -70.59 -30.42 42.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 74.049999999999997 109.359 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.435 HH21 ' CG1' ' A' ' 61' ' ' VAL . 4.1 tpp85 -79.33 -3.17 44.92 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 63.25 110.257 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 7.9 mtmt -96.16 -41.73 8.56 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 71.450000000000003 109.313 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.401 ' HG3' ' OH ' ' A' ' 49' ' ' TYR . 0.7 OUTLIER -59.61 -39.61 84.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.591 1.182 . . . . 74.150000000000006 110.252 -179.991 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 2.2 pt -104.81 5.22 10.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 74.209999999999994 109.296 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 2.6 ptt? 37.55 38.36 0.14 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.547 1.154 . . . . 64.340000000000003 110.969 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.487 ' HA ' HD12 ' A' ' 70' ' ' LEU . 6.2 tp -50.63 139.98 19.95 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.472 1.107 . . . . 62.43 109.294 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 165.99 30.13 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.548 1.815 . . . . 75.310000000000002 110.922 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 0.78 8.51 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.491 1.785 . . . . 73.310000000000002 110.944 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -98.1 -1.78 41.57 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.581 1.176 . . . . 75.109999999999999 110.264 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -112.23 178.91 4.15 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 74.239999999999995 109.26 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -138.03 152.51 48.92 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.612 1.195 . . . . 54.009999999999998 109.276 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.898 HD12 ' CD1' ' A' ' 109' ' ' TYR . 1.2 tt -145.78 117.18 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.437 1.086 . . . . 71.129999999999995 109.407 179.899 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 80.2 m-85 -114.21 137.68 51.46 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.55 1.156 . . . . 70.230000000000004 111.03 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.591 ' CG2' ' CG2' ' A' ' 107' ' ' VAL . 3.9 mm -85.92 158.19 3.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 O-C-N 124.482 1.113 . . . . 70.040000000000006 109.286 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . 0.471 ' CE1' ' CD1' ' A' ' 115' ' ' PHE . 8.6 m-85 -150.58 133.51 15.99 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.453 1.095 . . . . 63.119999999999997 111.0 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.735 ' O ' HG23 ' A' ' 83' ' ' THR . 2.4 t -136.31 108.64 7.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.459 1.099 . . . . 75.209999999999994 109.298 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . 0.443 ' O ' ' CB ' ' A' ' 82' ' ' ASP . 3.5 m-80 72.35 22.31 3.52 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.499 1.124 . . . . 74.420000000000002 109.248 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . 0.443 ' CB ' ' O ' ' A' ' 81' ' ' ASN . 2.1 m-20 79.05 20.88 0.7 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 75.129999999999995 109.266 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' THR . . . . . 0.735 HG23 ' O ' ' A' ' 80' ' ' VAL . 1.1 t -126.43 142.03 51.68 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.5 1.125 . . . . 74.25 110.447 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.441 ' CD1' ' CZ ' ' A' ' 79' ' ' PHE . 0.2 OUTLIER -98.6 109.64 53.81 Favored Pre-proline 0 C--N 1.324 -0.541 0 O-C-N 124.541 1.151 . . . . 64.219999999999999 109.286 -179.94 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.06 167.04 27.86 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.445 1.761 . . . . 73.140000000000001 110.987 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . 0.886 ' HG2' ' HB2' ' A' ' 89' ' ' ALA . 18.6 Cg_endo -74.94 -171.7 1.05 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.481 1.78 . . . . 70.439999999999998 111.039 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 4.2 p -94.27 -35.39 12.46 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.551 1.157 . . . . 62.409999999999997 110.419 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -84.61 8.22 17.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.421 1.076 . . . . 71.439999999999998 109.324 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 1.056 ' HB1' HD12 ' A' ' 94' ' ' ILE . . . -76.13 60.92 1.51 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.545 1.153 . . . . 73.430000000000007 109.329 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.608 ' C ' ' O ' ' A' ' 89' ' ' ALA . 0.4 OUTLIER -23.51 121.79 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.106 . . . . 71.209999999999994 109.228 -179.917 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' MET . . . . . 0.471 ' HE1' ' HB3' ' A' ' 91' ' ' MET . 47.3 mmm -50.81 -20.49 1.3 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.418 1.074 . . . . 71.209999999999994 110.987 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 2.1 t -70.09 -47.17 62.97 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 61.219999999999999 110.008 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -74.88 -13.68 60.58 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 70.439999999999998 109.289 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 1.056 HD12 ' HB1' ' A' ' 89' ' ' ALA . 22.0 mm -82.55 -44.74 19.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.554 1.159 . . . . 61.530000000000001 109.208 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . 0.817 ' CD2' HD21 ' A' ' 105' ' ' LEU . 4.5 t80 -72.98 -5.64 40.06 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.457 1.098 . . . . 52.140000000000001 110.931 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . 0.438 ' O ' ' CG ' ' A' ' 96' ' ' GLN . 3.0 tp-100 -100.21 -10.37 21.46 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.481 1.113 . . . . 73.329999999999998 110.27 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -118.55 -10.92 9.99 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.454 1.097 . . . . 70.129999999999995 110.331 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . 0.558 ' HB2' HD11 ' A' ' 105' ' ' LEU . 31.5 m-70 -123.1 16.34 9.94 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.485 1.116 . . . . 62.030000000000001 109.601 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.47 ' HB3' ' O ' ' A' ' 95' ' ' TYR . 0.0 OUTLIER -59.99 157.74 12.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.12 . . . . 60.420000000000002 109.346 179.974 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -128.87 170.88 12.85 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.55 1.156 . . . . 64.510000000000005 109.339 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.415 ' HB2' ' CE2' ' A' ' 11' ' ' PHE . 30.0 mtmm -57.31 -29.42 63.91 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.118 . . . . 74.239999999999995 109.311 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -82.71 -20.47 36.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 52.350000000000001 109.242 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . 0.404 ' O ' ' CE2' ' A' ' 95' ' ' TYR . . . 91.63 -39.32 3.06 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.568 1.167 . . . . 42.140000000000001 111.023 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . 0.598 ' CD1' HD12 ' A' ' 32' ' ' ILE . 10.5 m-85 -61.64 120.14 10.03 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.472 0.748 . . . . 73.230000000000004 110.992 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.817 HD21 ' CD2' ' A' ' 95' ' ' TYR . 0.3 OUTLIER -63.32 159.66 17.56 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.532 1.145 . . . . 74.420000000000002 109.339 -179.963 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . 0.65 ' CE1' ' NH2' ' A' ' 14' ' ' ARG . 50.4 m-85 -133.17 101.66 5.28 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.506 1.129 . . . . 64.400000000000006 111.049 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . 0.591 ' CG2' ' CG2' ' A' ' 78' ' ' ILE . 14.7 p -115.07 168.53 6.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.461 1.1 . . . . 71.319999999999993 109.364 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' THR . . . . . 0.899 HG21 ' HB3' ' A' ' 34' ' ' GLU . 0.7 OUTLIER -149.8 145.79 26.8 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.511 1.132 . . . . 74.209999999999994 110.409 179.922 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' TYR . . . . . 0.898 ' CD1' HD12 ' A' ' 76' ' ' ILE . 30.2 p90 -129.3 126.05 38.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.567 1.167 . . . . 63.539999999999999 111.006 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' SER . . . . . 0.531 ' HB2' ' HB3' ' A' ' 36' ' ' ALA . 1.4 t -119.33 158.83 25.32 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.484 1.115 . . . . 73.5 109.989 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . 0.452 ' HA3' ' CG2' ' A' ' 41' ' ' ILE . . . -68.1 -24.19 74.61 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.515 1.134 . . . . 54.340000000000003 110.94 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . 0.557 ' HE2' ' HZ3' ' A' ' 38' ' ' LYS . 2.8 pt-20 -115.07 178.8 4.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 0.783 . . . . 65.25 110.275 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 49.0 t-20 -104.72 41.6 1.31 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.103 . . . . 71.129999999999995 109.297 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -118.19 158.72 24.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 73.219999999999999 110.336 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . 0.63 ' N ' ' CD1' ' A' ' 115' ' ' PHE . 0.1 OUTLIER -139.24 68.36 1.38 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 74.329999999999998 110.969 179.945 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.043 0 O-C-N 124.468 1.105 . . . . 63.520000000000003 111.036 179.927 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 597' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.913 0 N-CA-C 111.009 -0.836 . . . . 75.340000000000003 111.009 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 598' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.92 144.99 31.23 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.497 1.788 . . . . 62.549999999999997 111.006 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 599' ' ' HIS . . . . . 0.452 ' ND1' HG21 ' B' ' 611' ' ' VAL . 5.5 m80 -153.45 172.85 16.47 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.596 1.185 . . . . 61.329999999999998 109.561 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 600' ' ' MET . . . . . 0.435 ' N ' ' SD ' ' B' ' 600' ' ' MET . 1.0 OUTLIER -105.95 158.69 16.6 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.545 1.153 . . . . 71.310000000000002 110.97 179.959 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 601' ' ' ILE . . . . . 0.679 ' H ' HD13 ' B' ' 601' ' ' ILE . 0.3 OUTLIER -109.19 76.9 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 72.439999999999998 109.276 179.971 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 602' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -97.14 124.39 41.16 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.555 1.159 . . . . 55.439999999999998 109.986 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 603' ' ' GLY . . . . . . . . . . . . . . . 77.83 139.77 1.36 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.48 1.113 . . . . 71.310000000000002 111.053 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 604' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -113.27 -36.66 4.95 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.506 0.768 . . . . 63.329999999999998 109.3 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 605' ' ' SER . . . . . . . . . . . . . 3.6 t -87.99 -2.98 58.94 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.486 1.116 . . . . 73.049999999999997 109.941 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 606' ' ' VAL . . . . . 0.725 HG23 ' H ' ' B' ' 607' ' ' ILE . 2.1 p -95.57 -171.97 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.103 . . . . 74.109999999999999 109.263 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 607' ' ' ILE . . . . . 0.725 ' H ' HG23 ' B' ' 606' ' ' VAL . 1.1 mm -114.67 -162.75 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.485 1.116 . . . . 71.450000000000003 109.335 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 608' ' ' LYS . . . . . 0.702 ' H ' HG22 ' B' ' 607' ' ' ILE . 0.2 OUTLIER 59.75 26.74 15.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 71.519999999999996 109.306 179.966 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 609' ' ' GLN . . . . . . . . . . . . . 71.6 mm-40 -40.11 160.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.097 . . . . 75.510000000000005 110.214 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 610' ' ' GLU . . . . . 0.513 ' O ' HG13 ' B' ' 611' ' ' VAL . 3.8 pt-20 -49.73 179.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 74.310000000000002 110.288 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 611' ' ' VAL . . . . . 0.658 ' HA ' ' HE2' ' A' ' 8' ' ' GLU . 1.0 OUTLIER -155.44 120.58 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 74.530000000000001 109.323 -179.973 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 612' ' ' GLU . . . . . 0.785 ' HE2' ' HB2' ' A' ' 8' ' ' GLU . 0.0 OUTLIER -117.37 -36.07 3.84 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.568 1.168 . . . . 72.219999999999999 110.331 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 613' ' ' ARG . . . . . 0.589 ' CD ' ' CZ3' ' B' ' 621' ' ' TRP . 5.9 ptp180 -148.4 -46.04 0.15 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 71.310000000000002 110.284 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 614' ' ' LEU . . . . . 0.661 HD21 ' CZ3' ' B' ' 621' ' ' TRP . 0.8 OUTLIER -106.22 143.68 34.0 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.494 1.121 . . . . 75.010000000000005 109.304 -179.952 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 615' ' ' GLY . . . . . 0.414 ' O ' ' C ' ' B' ' 616' ' ' ASN . . . -147.46 -60.92 0.01 OUTLIER Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.556 1.16 . . . . 55.229999999999997 110.953 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 616' ' ' ASN . . . . . 0.414 ' C ' ' O ' ' B' ' 615' ' ' GLY . 0.1 OUTLIER -38.58 -33.72 0.11 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 0.757 . . . . 73.319999999999993 109.271 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 617' ' ' ASP . . . . . 0.406 ' N ' ' C ' ' B' ' 615' ' ' GLY . 4.6 m-20 -165.89 -172.76 2.44 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.542 1.151 . . . . 64.209999999999994 109.313 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 618' ' ' VAL . . . . . 0.691 HG13 ' CZ ' ' A' ' 9' ' ' TYR . 1.8 t -74.9 -19.39 16.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.452 1.095 . . . . 73.239999999999995 109.36 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 619' ' ' PHE . . . . . 0.539 ' CD1' ' OE2' ' A' ' 17' ' ' GLU . 2.8 m-85 -134.38 134.05 41.27 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 72.230000000000004 111.044 179.881 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 620' ' ' GLU . . . . . 0.421 ' OE2' ' N ' ' B' ' 621' ' ' TRP . 0.5 OUTLIER -151.87 -58.25 0.15 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.434 1.084 . . . . 53.420000000000002 110.329 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 621' ' ' TRP . . . . . 0.68 ' CD1' ' O ' ' B' ' 622' ' ' GLU . 0.8 OUTLIER -64.52 162.26 15.74 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 107.96 -1.126 . . . . 73.319999999999993 107.96 179.989 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 622' ' ' GLU . . . . . 0.68 ' O ' ' CD1' ' B' ' 621' ' ' TRP . 2.0 pt-20 -52.46 -171.63 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.134 . . . . 64.150000000000006 110.248 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 623' ' ' ASP . . . . . 0.936 ' HD2' ' CG2' ' B' ' 629' ' ' ILE . 4.7 t0 78.18 1.71 2.75 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.456 1.097 . . . . 72.319999999999993 109.294 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 624' ' ' ASP . . . . . 0.402 ' C ' ' O ' ' B' ' 623' ' ' ASP . 7.7 t0 -40.38 -65.97 0.36 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.455 1.097 . . . . 63.210000000000001 109.258 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 625' ' ' GLU . . . . . 0.413 ' O ' ' C ' ' B' ' 626' ' ' SER . 1.5 pp20? -117.88 -9.72 10.58 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.5 1.125 . . . . 75.099999999999994 110.3 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 626' ' ' SER . . . . . 0.418 ' O ' HD12 ' B' ' 629' ' ' ILE . 5.0 t -37.96 134.01 0.81 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.403 1.064 . . . . 72.439999999999998 109.97 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 627' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -80.72 0.66 33.55 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.451 1.095 . . . . 61.450000000000003 109.31 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 628' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -65.36 -11.58 43.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.142 . . . . 70.040000000000006 110.31 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 629' ' ' ILE . . . . . 0.936 ' CG2' ' HD2' ' B' ' 623' ' ' ASP . 1.2 pp -104.0 25.92 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 61.409999999999997 109.269 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 630' ' ' ALA . . . . . 0.979 ' HB1' HD21 ' A' ' 55' ' ' LEU . . . . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 73.25 109.294 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 0' ' ' HIS . . . . . . . . . . . . . 75.9 m80 . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 109.625 -0.509 . . . . 72.510000000000005 109.625 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.671 ' HE1' ' HE2' ' B' ' 599' ' ' HIS . 8.3 mtp -122.27 -161.0 0.91 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 71.219999999999999 111.035 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.467 ' O ' HG21 ' A' ' 4' ' ' THR . 5.3 mtmp? -138.71 -47.32 0.5 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 64.099999999999994 109.311 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.417 ' HB3' ' NH1' ' A' ' 47' ' ' ARG . 12.3 p -60.96 121.77 13.24 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.509 1.13 . . . . 61.210000000000001 109.945 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.743 ' HG1' ' HA ' ' A' ' 46' ' ' LYS . 31.4 p -109.21 -71.14 0.77 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.552 1.157 . . . . 74.439999999999998 110.384 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.654 ' CE2' ' CB ' ' A' ' 48' ' ' LYS . 12.4 m-85 -50.94 -45.81 60.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 75.109999999999999 111.034 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.492 ' HZ2' HG23 ' B' ' 601' ' ' ILE . 8.6 tttt -69.17 -31.57 70.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.109 . . . . 72.109999999999999 109.248 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 40.4 t -81.82 -4.96 57.73 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.534 1.146 . . . . 63.350000000000001 110.031 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.534 ' HE2' ' H ' ' B' ' 612' ' ' GLU . 2.5 mm-40 -86.9 -52.59 5.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 75.049999999999997 110.329 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.723 ' HH ' ' NH1' ' A' ' 14' ' ' ARG . 4.5 p90 -126.2 165.12 29.57 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 62.130000000000003 111.015 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 -176.92 3.12 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.531 1.806 . . . . 44.439999999999998 111.027 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.554 ' CE1' ' HB3' ' A' ' 102' ' ' ASP . 35.9 t80 -63.76 -57.17 10.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.409 1.068 . . . . 73.120000000000005 111.051 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 17.0 mt-10 -42.51 -28.13 0.2 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.534 1.146 . . . . 72.25 110.297 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.486 ' CB ' ' HB2' ' A' ' 9' ' ' TYR . 8.9 mmtt -73.2 -49.09 29.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.616 1.197 . . . . 72.310000000000002 109.244 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.723 ' NH1' ' HH ' ' A' ' 9' ' ' TYR . 16.7 tpp180 -57.11 -42.19 80.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.437 1.085 . . . . 72.400000000000006 110.345 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.33 -43.47 66.94 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 63.020000000000003 109.32 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.41 -31.78 70.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 52.130000000000003 109.327 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.476 ' HG3' HD13 ' A' ' 21' ' ' ILE . 18.0 tp10 -70.41 -44.3 68.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.431 1.082 . . . . 64.25 110.327 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.451 ' HB3' ' CD2' ' A' ' 104' ' ' PHE . 89.5 p -70.47 -19.5 62.94 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 73.400000000000006 110.094 179.91 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -66.3 -23.41 66.37 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.56 1.163 . . . . 72.310000000000002 110.312 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 28.8 mtm180 -101.76 -39.11 7.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.588 1.18 . . . . 74.030000000000001 110.267 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.476 HD13 ' HG3' ' A' ' 17' ' ' GLU . 7.2 mt -60.25 -20.56 20.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.64 1.213 . . . . 70.129999999999995 109.341 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -80.47 -21.65 41.84 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 53.32 109.284 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -103.49 -12.9 16.84 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 74.040000000000006 109.372 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 27.5 mmm-85 -97.08 -48.96 5.18 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.104 . . . . 72.200000000000003 110.268 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.458 ' HB3' ' CG ' ' A' ' 28' ' ' ARG . 1.3 m-85 -132.84 89.5 34.62 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.429 1.081 . . . . 64.319999999999993 110.951 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.98 -34.21 4.02 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.488 1.783 . . . . 74.200000000000003 111.009 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 12.2 p30 -90.9 40.2 1.01 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.469 1.106 . . . . 72.439999999999998 109.305 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.588 ' HB3' HD11 ' A' ' 50' ' ' LEU . 1.6 mmt-85 -126.14 171.37 10.92 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.464 1.103 . . . . 75.129999999999995 110.271 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.484 ' CD1' ' HA ' ' A' ' 92' ' ' SER . 17.4 mm -135.99 98.03 11.99 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 73.209999999999994 109.285 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 1.049 ' HA ' HD23 ' A' ' 50' ' ' LEU . 18.2 Cg_endo -75.0 117.21 4.83 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.488 1.783 . . . . 64.019999999999996 110.986 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.761 HG23 ' O ' ' A' ' 49' ' ' TYR . 5.7 m -135.61 156.54 38.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 75.340000000000003 109.296 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.732 HG23 ' O ' ' A' ' 47' ' ' ARG . 18.4 mm -124.73 104.91 14.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.558 1.161 . . . . 65.239999999999995 109.292 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.503 ' HB3' ' CE1' ' A' ' 49' ' ' TYR . 2.1 t -84.82 144.32 28.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.419 1.074 . . . . 43.200000000000003 108.311 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.496 ' O ' ' CG2' ' A' ' 108' ' ' THR . 32.2 tt0 -148.6 156.75 42.83 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.452 1.095 . . . . 74.129999999999995 110.342 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.632 ' HD3' ' HG ' ' A' ' 39' ' ' SER . 0.0 OUTLIER -92.66 127.39 38.14 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.456 1.098 . . . . 74.109999999999999 109.331 -179.978 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -59.06 177.99 0.14 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.115 . . . . 61.539999999999999 109.343 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.443 ' CG ' ' N ' ' A' ' 38' ' ' LYS . 12.1 pt-20 -96.5 -50.8 4.59 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.486 1.116 . . . . 72.099999999999994 110.348 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.443 ' N ' ' CG ' ' A' ' 37' ' ' GLU . 30.8 mttm -55.05 -43.88 74.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.576 1.172 . . . . 70.129999999999995 109.371 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.632 ' HG ' ' HD3' ' A' ' 35' ' ' LYS . 1.4 t -39.84 158.0 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.457 1.098 . . . . 61.219999999999999 110.025 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -114.76 -1.48 13.23 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.462 1.102 . . . . 65.120000000000005 109.366 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.597 HD12 ' CE2' ' A' ' 109' ' ' TYR . 0.1 OUTLIER -74.55 165.71 51.34 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.408 1.067 . . . . 75.430000000000007 109.288 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.1 130.25 13.0 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.424 1.75 . . . . 64.400000000000006 110.985 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.411 ' HG2' ' N ' ' A' ' 44' ' ' ILE . 5.5 tt0 -67.73 144.35 55.47 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.554 1.159 . . . . 74.430000000000007 110.29 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 1.045 ' CD1' ' HH ' ' A' ' 49' ' ' TYR . 13.9 tt -65.82 171.55 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.492 1.12 . . . . 73.530000000000001 109.22 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . 0.452 ' O ' HG22 ' A' ' 4' ' ' THR . 3.6 t0 -75.67 -40.15 56.42 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.464 1.102 . . . . 74.129999999999995 109.326 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.743 ' HA ' ' HG1' ' A' ' 4' ' ' THR . 0.0 OUTLIER -153.75 160.75 42.39 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 72.310000000000002 109.259 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.732 ' O ' HG23 ' A' ' 32' ' ' ILE . 0.8 OUTLIER -101.14 96.96 7.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 73.310000000000002 110.334 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.654 ' CB ' ' CE2' ' A' ' 5' ' ' PHE . 3.8 tptt -165.39 127.34 2.05 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.548 1.155 . . . . 65.409999999999997 109.309 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 1.045 ' HH ' ' CD1' ' A' ' 44' ' ' ILE . 31.2 m-85 -155.99 105.8 2.38 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.517 1.135 . . . . 72.340000000000003 110.966 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 1.049 HD23 ' HA ' ' A' ' 30' ' ' PRO . 0.4 OUTLIER -94.58 77.05 3.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 74.329999999999998 109.333 179.958 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.764 HG11 ' CD1' ' A' ' 60' ' ' PHE . 9.9 m -75.97 147.04 80.02 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.506 1.128 . . . . 63.399999999999999 109.301 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . 0.415 ' HA ' ' HD2' ' A' ' 28' ' ' ARG . 18.2 Cg_endo -74.94 -177.07 3.2 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.49 1.784 . . . . 72.439999999999998 111.012 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -92.64 18.39 8.79 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.546 1.154 . . . . 72.450000000000003 109.291 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -120.77 -39.11 2.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.41 1.069 . . . . 72.409999999999997 109.339 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.852 HD21 ' HB1' ' B' ' 630' ' ' ALA . 0.0 OUTLIER -58.67 131.68 51.58 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.453 1.096 . . . . 73.349999999999994 109.393 179.959 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.563 ' N ' HD12 ' A' ' 55' ' ' LEU . 0.1 OUTLIER -96.05 -168.69 1.79 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.525 1.141 . . . . 33.539999999999999 110.456 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 3.1 t -77.76 -62.39 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.492 1.12 . . . . 60.439999999999998 109.294 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -53.81 -18.87 9.01 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.468 1.105 . . . . 73.230000000000004 110.953 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . 0.54 ' CB ' ' CD1' ' A' ' 55' ' ' LEU . 68.1 mt-30 -95.6 -27.24 15.43 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.511 0.771 . . . . 74.530000000000001 110.351 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.764 ' CD1' HG11 ' A' ' 51' ' ' VAL . 70.2 t80 -69.64 -36.56 76.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 73.030000000000001 111.031 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.777 HG13 ' CG2' ' A' ' 76' ' ' ILE . 59.1 t -54.09 -47.48 66.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.55 1.156 . . . . 73.010000000000005 109.31 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.557 ' CD1' ' O ' ' A' ' 62' ' ' TYR . 0.1 OUTLIER -43.22 -28.99 0.35 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.62 1.2 . . . . 74.540000000000006 110.974 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.931 HG22 ' C ' ' B' ' 630' ' ' ALA . 79.1 t -80.71 -44.61 21.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.431 1.082 . . . . 65.319999999999993 109.238 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.693 ' CD1' ' CE2' ' A' ' 49' ' ' TYR . 9.3 mm -62.0 -30.88 49.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 74.049999999999997 109.294 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 6.7 tpp85 -82.43 -6.09 59.07 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.395 1.059 . . . . 63.25 110.345 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 8.2 mtmt -86.53 -44.65 11.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.143 . . . . 71.450000000000003 109.302 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.519 ' HG3' HD12 ' A' ' 44' ' ' ILE . 4.4 mmp_? -57.68 -64.66 0.82 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.103 . . . . 74.150000000000006 110.3 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.618 HD12 HD13 ' A' ' 76' ' ' ILE . 5.9 pt -72.75 -5.56 6.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.538 1.149 . . . . 74.209999999999994 109.345 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' MET . . . . . 0.501 ' CG ' ' O ' ' A' ' 68' ' ' ILE . 3.8 ptp 42.59 44.34 3.59 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.126 . . . . 64.340000000000003 111.04 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.489 HD23 HD13 ' A' ' 68' ' ' ILE . 5.1 tp -65.79 140.57 97.35 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.492 1.12 . . . . 62.43 109.252 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 171.55 18.1 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.425 1.75 . . . . 75.310000000000002 110.979 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_endo -74.9 -1.49 11.27 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.555 1.818 . . . . 73.310000000000002 111.064 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -86.81 1.95 50.59 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.143 . . . . 75.109999999999999 110.335 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 20.5 mttp -125.51 -179.23 4.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 74.239999999999995 109.311 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -139.61 151.21 45.82 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.516 1.135 . . . . 54.009999999999998 109.308 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.777 ' CG2' HG13 ' A' ' 61' ' ' VAL . 2.1 tt -141.28 119.93 10.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 71.129999999999995 109.25 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . 0.604 ' HB3' HD11 ' A' ' 84' ' ' LEU . 80.9 m-85 -115.62 135.22 54.28 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 70.230000000000004 111.004 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.552 ' CG2' ' CG2' ' A' ' 107' ' ' VAL . 3.0 mm -84.5 137.46 20.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.472 1.108 . . . . 70.040000000000006 109.324 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -128.43 121.28 28.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 63.119999999999997 110.964 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.596 ' O ' HG23 ' A' ' 83' ' ' THR . 2.8 t -122.86 109.24 23.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.582 1.176 . . . . 75.209999999999994 109.302 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . 0.553 ' ND2' ' CE1' ' A' ' 98' ' ' HIS . 2.1 m-80 71.31 19.82 5.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 74.420000000000002 109.226 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . 0.503 ' CB ' ' O ' ' A' ' 81' ' ' ASN . 0.9 OUTLIER 81.93 24.53 0.22 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 75.129999999999995 109.248 179.979 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' THR . . . . . 0.596 HG23 ' O ' ' A' ' 80' ' ' VAL . 0.7 OUTLIER -133.43 135.36 44.54 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.472 1.108 . . . . 74.25 110.393 -179.97 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.604 HD11 ' HB3' ' A' ' 77' ' ' PHE . 0.2 OUTLIER -91.62 112.27 53.54 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.135 . . . . 64.219999999999999 109.257 179.963 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.09 167.13 27.64 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.45 1.763 . . . . 73.140000000000001 110.93 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . 0.879 ' HG2' ' HB2' ' A' ' 89' ' ' ALA . 18.7 Cg_endo -74.84 -168.54 0.52 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.406 1.74 . . . . 70.439999999999998 111.085 179.895 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 3.7 p -97.02 -35.19 10.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.451 1.094 . . . . 62.409999999999997 110.447 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -85.11 8.71 17.09 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.549 1.156 . . . . 71.439999999999998 109.281 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 1.082 ' HB1' HD12 ' A' ' 94' ' ' ILE . . . -76.84 61.23 1.87 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.408 1.068 . . . . 73.430000000000007 109.272 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.591 ' C ' ' O ' ' A' ' 89' ' ' ALA . 0.3 OUTLIER -24.66 122.41 0.05 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 71.209999999999994 109.331 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' MET . . . . . 0.477 ' HB3' ' HE1' ' A' ' 91' ' ' MET . 44.3 mmm -52.93 -19.32 2.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.441 1.088 . . . . 71.209999999999994 110.968 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' SER . . . . . 0.484 ' HA ' ' CD1' ' A' ' 29' ' ' ILE . 10.8 t -69.73 -46.69 65.36 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.483 1.115 . . . . 61.219999999999999 110.024 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -73.25 -31.9 64.39 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.554 1.159 . . . . 70.439999999999998 109.267 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 1.082 HD12 ' HB1' ' A' ' 89' ' ' ALA . 16.6 mm -61.81 -45.32 98.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 61.530000000000001 109.38 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . 0.632 ' O ' ' CD1' ' A' ' 95' ' ' TYR . 10.5 t80 -69.19 -6.15 27.11 Favored 'General case' 0 C--N 1.326 -0.413 0 O-C-N 124.429 1.08 . . . . 52.140000000000001 110.99 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . 0.466 ' O ' ' CG ' ' A' ' 96' ' ' GLN . 2.7 tp-100 -102.56 -8.97 20.57 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.13 . . . . 73.329999999999998 110.272 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -119.42 -7.82 10.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 70.129999999999995 110.285 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . 0.553 ' CE1' ' ND2' ' A' ' 81' ' ' ASN . 48.6 m-70 -133.04 17.99 4.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 62.030000000000001 109.607 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.487 ' HB3' ' O ' ' A' ' 95' ' ' TYR . 0.0 OUTLIER -51.12 171.87 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.453 1.095 . . . . 60.420000000000002 109.249 -179.973 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -134.73 166.32 23.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.564 1.165 . . . . 64.510000000000005 109.385 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 28.2 mtmt -59.23 -45.6 90.71 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.463 1.102 . . . . 74.239999999999995 109.294 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . 0.554 ' HB3' ' CE1' ' A' ' 11' ' ' PHE . 0.5 OUTLIER -72.24 -6.57 43.87 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 52.350000000000001 109.293 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 88.02 -39.58 3.11 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.529 1.143 . . . . 42.140000000000001 110.984 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . 0.572 ' CD2' ' HG3' ' A' ' 14' ' ' ARG . 3.7 m-85 -62.76 134.44 56.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.44 0.73 . . . . 73.230000000000004 111.023 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.511 HD13 ' CD2' ' A' ' 95' ' ' TYR . 2.7 tp -79.69 165.4 22.88 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.446 1.091 . . . . 74.420000000000002 109.281 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . 0.478 ' HH ' ' CG ' ' A' ' 102' ' ' ASP . 88.4 m-85 -142.19 91.88 2.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 64.400000000000006 111.05 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . 0.552 ' CG2' ' CG2' ' A' ' 78' ' ' ILE . 1.4 p -102.43 164.73 3.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.64 1.212 . . . . 71.319999999999993 109.164 -179.907 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' THR . . . . . 0.496 ' CG2' ' O ' ' A' ' 34' ' ' GLU . 0.2 OUTLIER -144.53 160.48 41.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.446 1.091 . . . . 74.209999999999994 110.359 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' TYR . . . . . 0.741 ' CD2' HD12 ' A' ' 76' ' ' ILE . 41.5 p90 -138.85 135.98 35.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.54 1.15 . . . . 63.539999999999999 111.041 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 52.7 p -127.46 160.29 31.92 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.468 1.105 . . . . 73.5 110.05 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . 0.466 ' HA3' ' CG2' ' A' ' 41' ' ' ILE . . . -80.89 -3.14 90.58 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.463 1.102 . . . . 54.340000000000003 110.998 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 10.9 pm0 -125.95 159.65 32.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 0.77 . . . . 65.25 110.356 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . 0.579 HD22 HD23 ' A' ' 84' ' ' LEU . 25.0 t-20 -92.22 15.79 12.88 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.56 1.162 . . . . 71.129999999999995 109.271 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' THR . . . . . 0.683 HG23 ' H ' ' A' ' 115' ' ' PHE . 4.7 m -138.56 -171.14 2.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 73.219999999999999 110.374 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . 0.683 ' H ' HG23 ' A' ' 114' ' ' THR . 4.1 p90 -115.78 97.74 6.29 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.429 1.081 . . . . 74.329999999999998 110.973 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 O-C-N 124.475 1.109 . . . . 63.520000000000003 110.975 179.939 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 597' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.038 0 N-CA-C 110.937 -0.865 . . . . 75.340000000000003 110.937 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 598' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 107.68 2.54 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.552 1.817 . . . . 62.549999999999997 111.01 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 599' ' ' HIS . . . . . 0.671 ' HE2' ' HE1' ' A' ' 1' ' ' MET . 59.1 m80 -153.32 164.9 37.3 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.512 1.132 . . . . 61.329999999999998 109.581 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 600' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -175.73 -174.53 0.69 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 71.310000000000002 110.988 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 601' ' ' ILE . . . . . 0.492 HG23 ' HZ2' ' A' ' 6' ' ' LYS . 24.0 mm -47.93 101.74 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.527 1.142 . . . . 72.439999999999998 109.306 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 602' ' ' SER . . . . . . . . . . . . . 49.1 m -87.76 -74.58 0.44 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 55.439999999999998 109.955 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 603' ' ' GLY . . . . . . . . . . . . . . . 48.72 95.69 0.01 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.487 1.117 . . . . 71.310000000000002 111.095 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 604' ' ' LEU . . . . . 0.545 HD21 HG11 ' B' ' 606' ' ' VAL . 61.5 tp -116.31 164.97 13.73 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 0.779 . . . . 63.329999999999998 109.277 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 605' ' ' SER . . . . . 0.522 ' H ' HD12 ' B' ' 604' ' ' LEU . 4.8 t -89.72 42.68 1.1 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 73.049999999999997 109.954 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 606' ' ' VAL . . . . . 0.545 HG11 HD21 ' B' ' 604' ' ' LEU . 4.6 p -115.94 157.02 16.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.555 1.16 . . . . 74.109999999999999 109.22 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 607' ' ' ILE . . . . . 0.774 HG22 ' H ' ' B' ' 608' ' ' LYS . 1.9 mm -121.36 -174.87 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.455 1.097 . . . . 71.450000000000003 109.323 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 608' ' ' LYS . . . . . 0.774 ' H ' HG22 ' B' ' 607' ' ' ILE . 8.2 mttm 70.02 23.49 5.38 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.456 1.098 . . . . 71.519999999999996 109.302 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 609' ' ' GLN . . . . . 0.491 HE22 HG13 ' B' ' 606' ' ' VAL . 59.4 mm-40 -38.33 155.0 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.561 1.163 . . . . 75.510000000000005 110.371 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 610' ' ' GLU . . . . . 0.699 ' O ' HG13 ' B' ' 611' ' ' VAL . 5.4 pt-20 -53.0 -173.73 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.486 1.116 . . . . 74.310000000000002 110.216 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 611' ' ' VAL . . . . . 0.699 HG13 ' O ' ' B' ' 610' ' ' GLU . 2.4 m -160.79 116.23 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.56 1.162 . . . . 74.530000000000001 109.237 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 612' ' ' GLU . . . . . 0.534 ' H ' ' HE2' ' A' ' 8' ' ' GLU . 0.1 OUTLIER -109.54 -80.15 0.58 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 72.219999999999999 110.342 179.974 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 613' ' ' ARG . . . . . 0.573 ' HD2' ' CZ3' ' B' ' 621' ' ' TRP . 6.5 ptt180 -115.77 -33.42 5.16 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.402 1.064 . . . . 71.310000000000002 110.34 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 614' ' ' LEU . . . . . 0.823 HD21 ' HZ3' ' B' ' 621' ' ' TRP . 4.1 pp -110.43 -173.3 2.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 75.010000000000005 109.358 179.907 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 615' ' ' GLY . . . . . . . . . . . . . . . -170.96 -106.36 0.19 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.508 1.13 . . . . 55.229999999999997 111.011 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 616' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -40.05 -66.45 0.31 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.576 0.809 . . . . 73.319999999999993 109.322 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 617' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -87.78 -167.63 1.95 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.474 1.108 . . . . 64.209999999999994 109.288 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 618' ' ' VAL . . . . . 0.573 HG12 ' OH ' ' A' ' 9' ' ' TYR . 0.4 OUTLIER -106.84 -37.17 3.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.553 1.158 . . . . 73.239999999999995 109.323 179.963 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 619' ' ' PHE . . . . . 0.485 ' N ' ' CD1' ' B' ' 619' ' ' PHE . 4.4 m-30 -99.55 87.61 3.63 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.505 1.128 . . . . 72.230000000000004 110.991 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 620' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -113.32 21.26 15.41 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.484 1.115 . . . . 53.420000000000002 110.288 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 621' ' ' TRP . . . . . 0.823 ' HZ3' HD21 ' B' ' 614' ' ' LEU . 2.9 p90 -141.82 -169.97 3.02 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 108.001 -1.111 . . . . 73.319999999999993 108.001 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 622' ' ' GLU . . . . . 0.419 ' O ' ' O ' ' B' ' 623' ' ' ASP . 7.2 pt-20 -52.45 -174.49 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.555 1.159 . . . . 64.150000000000006 110.284 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 623' ' ' ASP . . . . . 0.419 ' O ' ' O ' ' B' ' 622' ' ' GLU . 36.3 m-20 39.29 90.67 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.454 1.096 . . . . 72.319999999999993 109.316 -179.906 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 624' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -84.82 -46.71 11.09 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 63.210000000000001 109.251 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 625' ' ' GLU . . . . . 0.409 ' O ' ' C ' ' B' ' 626' ' ' SER . 1.9 pt-20 -131.59 11.32 4.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 75.099999999999994 110.261 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 626' ' ' SER . . . . . 0.589 ' O ' HD12 ' B' ' 629' ' ' ILE . 32.8 t -38.8 152.23 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.517 1.135 . . . . 72.439999999999998 110.103 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 627' ' ' ASP . . . . . . . . . . . . . 47.0 p30 -89.34 15.51 8.98 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.416 1.073 . . . . 61.450000000000003 109.314 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 628' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -79.46 -4.52 51.58 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.113 . . . . 70.040000000000006 110.299 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 629' ' ' ILE . . . . . 0.589 HD12 ' O ' ' B' ' 626' ' ' SER . 1.2 pp -110.53 25.25 3.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.147 . . . . 61.409999999999997 109.317 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 630' ' ' ALA . . . . . 0.931 ' C ' HG22 ' A' ' 63' ' ' VAL . . . . . . . . 0 C--N 1.324 -0.511 0 O-C-N 124.543 1.152 . . . . 73.25 109.288 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 0' ' ' HIS . . . . . . . . . . . . . 1.8 t-160 . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.54 -0.541 . . . . 72.510000000000005 109.54 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -164.08 -176.32 4.44 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.457 1.098 . . . . 71.219999999999999 110.994 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 25.3 mttt -140.17 -52.79 0.51 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.455 1.097 . . . . 64.099999999999994 109.338 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.407 ' C ' HG21 ' A' ' 4' ' ' THR . 3.7 m -74.73 174.94 8.44 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.441 1.088 . . . . 61.210000000000001 109.979 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.815 ' HG1' ' HA ' ' A' ' 46' ' ' LYS . 81.3 p -147.45 -74.99 0.19 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.122 . . . . 74.439999999999998 110.398 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.609 ' CZ ' ' OH ' ' A' ' 9' ' ' TYR . 88.2 t80 -57.99 -30.32 65.96 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.546 1.153 . . . . 75.109999999999999 110.972 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 17.5 ttpp -91.64 -28.16 17.66 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.563 1.164 . . . . 72.109999999999999 109.278 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 19.9 t -80.5 2.97 23.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.613 1.195 . . . . 63.350000000000001 109.956 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.738 ' HE2' ' H ' ' B' ' 612' ' ' GLU . 12.8 tp10 -85.6 -32.88 21.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 75.049999999999997 110.319 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.609 ' OH ' ' CZ ' ' A' ' 5' ' ' PHE . 2.0 p90 -148.2 166.37 15.88 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.487 1.117 . . . . 62.130000000000003 111.035 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.405 ' CD ' ' HG2' ' B' ' 609' ' ' GLN . 18.5 Cg_endo -74.9 168.38 24.97 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.502 1.791 . . . . 44.439999999999998 111.042 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.559 ' CE2' ' HB3' ' A' ' 102' ' ' ASP . 1.4 t80 -61.97 -28.81 69.81 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.558 1.161 . . . . 73.120000000000005 110.998 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 13.5 mt-10 -66.96 -8.71 31.7 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.648 1.217 . . . . 72.25 110.283 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.8 tppp? -100.06 -48.73 4.54 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.522 1.138 . . . . 72.310000000000002 109.301 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.784 HH21 ' HB3' ' A' ' 104' ' ' PHE . 4.2 ptm85 -64.52 -42.98 95.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 72.400000000000006 110.278 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.487 ' N ' ' CG ' ' A' ' 14' ' ' ARG . 2.2 pttt -56.37 -40.03 73.9 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.531 1.145 . . . . 63.020000000000003 109.331 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -77.77 -19.65 54.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 52.130000000000003 109.284 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.829 ' HE2' ' HD2' ' A' ' 20' ' ' ARG . 13.7 tp10 -74.73 -58.23 3.42 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.114 . . . . 64.25 110.288 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -57.46 -17.11 11.63 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.494 1.121 . . . . 73.400000000000006 109.959 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -68.57 -45.13 72.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 72.310000000000002 110.315 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.829 ' HD2' ' HE2' ' A' ' 17' ' ' GLU . 0.5 OUTLIER -75.68 -24.61 56.32 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.526 1.141 . . . . 74.030000000000001 110.272 -179.938 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.431 ' N ' ' HG3' ' A' ' 20' ' ' ARG . 5.9 mt -66.76 -23.08 30.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.546 1.154 . . . . 70.129999999999995 109.288 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -68.51 -17.2 64.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.108 . . . . 53.32 109.287 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -102.15 -41.08 6.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.45 1.094 . . . . 74.040000000000006 109.295 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.598 ' O ' ' CD1' ' A' ' 25' ' ' PHE . 14.1 mmm-85 -66.4 -33.04 74.83 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.531 1.145 . . . . 72.200000000000003 110.309 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.598 ' CD1' ' O ' ' A' ' 24' ' ' ARG . 34.3 m-85 -159.75 86.56 2.06 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.459 1.099 . . . . 64.319999999999993 110.976 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -14.36 21.15 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.483 1.781 . . . . 74.200000000000003 110.933 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 20.6 m-20 -107.76 48.49 0.85 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 72.439999999999998 109.317 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.522 ' O ' HD11 ' A' ' 29' ' ' ILE . 8.5 mmt85 -134.31 -179.66 5.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 75.129999999999995 110.294 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.522 HD11 ' O ' ' A' ' 28' ' ' ARG . 37.3 mm -143.2 97.31 5.7 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.13 . . . . 73.209999999999994 109.368 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.577 ' HD2' ' CE2' ' A' ' 95' ' ' TYR . 18.2 Cg_endo -74.96 123.9 8.25 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.518 1.799 . . . . 64.019999999999996 111.024 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.478 HG13 HG23 ' A' ' 51' ' ' VAL . 0.9 OUTLIER -134.0 173.4 14.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.504 1.128 . . . . 75.340000000000003 109.323 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.45 ' CG2' ' HG3' ' A' ' 47' ' ' ARG . 7.4 mm -135.04 98.45 2.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.135 . . . . 65.239999999999995 109.29 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 1.037 ' HG ' HD13 ' A' ' 64' ' ' ILE . 14.3 t -68.22 116.03 8.36 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.552 1.158 . . . . 43.200000000000003 108.291 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.911 ' HB3' HG21 ' A' ' 108' ' ' THR . 16.5 tp10 -114.3 158.09 21.9 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.562 1.164 . . . . 74.129999999999995 110.324 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.581 ' HD3' ' HG ' ' A' ' 39' ' ' SER . 0.2 OUTLIER -118.69 116.69 27.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 74.109999999999999 109.378 179.941 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.403 ' O ' ' NZ ' ' A' ' 35' ' ' LYS . . . -55.88 172.71 0.17 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.528 1.142 . . . . 61.539999999999999 109.282 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.427 ' CG ' ' N ' ' A' ' 38' ' ' LYS . 11.6 pt-20 -96.16 -49.28 5.3 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.477 1.111 . . . . 72.099999999999994 110.328 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.427 ' N ' ' CG ' ' A' ' 37' ' ' GLU . 35.7 mttm -51.26 -31.33 20.61 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.465 1.103 . . . . 70.129999999999995 109.309 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.581 ' HG ' ' HD3' ' A' ' 35' ' ' LYS . 0.2 OUTLIER -56.58 153.13 10.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 61.219999999999999 109.989 179.963 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 9.3 t0 -115.77 13.95 16.24 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.456 1.097 . . . . 65.120000000000005 109.256 -179.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.611 HD12 ' CE2' ' A' ' 109' ' ' TYR . 0.1 OUTLIER -85.45 165.78 33.98 Favored Pre-proline 0 C--N 1.326 -0.434 0 O-C-N 124.547 1.155 . . . . 75.430000000000007 109.281 -179.95 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . 0.553 ' O ' HG21 ' A' ' 68' ' ' ILE . 18.4 Cg_endo -75.12 122.48 7.18 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.472 1.775 . . . . 64.400000000000006 110.985 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -62.55 142.75 57.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.44 1.087 . . . . 74.430000000000007 110.304 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.503 ' CD1' ' OH ' ' A' ' 49' ' ' TYR . 17.8 tt -68.67 170.16 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 73.530000000000001 109.289 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -70.85 -46.24 63.04 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.535 1.147 . . . . 74.129999999999995 109.404 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.815 ' HA ' ' HG1' ' A' ' 4' ' ' THR . 0.0 OUTLIER -151.18 160.02 44.09 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.507 1.129 . . . . 72.310000000000002 109.241 179.952 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.654 HH21 ' CG2' ' A' ' 4' ' ' THR . 0.0 OUTLIER -103.7 93.6 5.0 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 73.310000000000002 110.333 179.968 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.729 ' HZ3' ' C ' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -167.03 112.28 0.75 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.554 1.159 . . . . 65.409999999999997 109.215 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.547 ' CD1' ' HB2' ' A' ' 33' ' ' CYS . 27.7 m-85 -136.91 119.66 16.19 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.516 1.135 . . . . 72.340000000000003 110.997 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.426 ' HA ' HD13 ' A' ' 50' ' ' LEU . 0.0 OUTLIER -98.68 76.72 2.22 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.53 1.144 . . . . 74.329999999999998 109.299 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.57 HG11 ' CD1' ' A' ' 60' ' ' PHE . 13.1 m -80.42 147.59 64.39 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.12 . . . . 63.399999999999999 109.239 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.13 -178.56 4.28 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.53 1.805 . . . . 72.439999999999998 110.962 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -93.16 18.42 9.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.115 . . . . 72.450000000000003 109.272 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 32.4 m-20 -119.47 -38.38 3.02 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.451 1.094 . . . . 72.409999999999997 109.291 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.8 HD13 ' HB1' ' B' ' 630' ' ' ALA . 0.5 OUTLIER -56.32 131.19 47.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.106 . . . . 73.349999999999994 109.318 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 1.044 HG23 ' CD2' ' A' ' 90' ' ' LEU . 5.6 p -92.37 175.22 6.92 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.486 1.116 . . . . 33.539999999999999 110.45 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.484 ' CG1' ' O ' ' A' ' 86' ' ' PRO . 3.2 t -66.09 -35.75 75.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.55 1.156 . . . . 60.439999999999998 109.357 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -77.74 -6.41 86.98 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.564 1.165 . . . . 73.230000000000004 110.979 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . 0.604 ' OE1' HG21 ' A' ' 56' ' ' THR . 53.7 mt-30 -99.63 -22.19 15.53 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.541 0.789 . . . . 74.530000000000001 110.342 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.733 ' CZ ' HD12 ' A' ' 64' ' ' ILE . 40.0 t80 -78.24 -54.39 6.28 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 73.030000000000001 111.044 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.724 HG23 ' CG1' ' A' ' 78' ' ' ILE . 63.9 t -40.25 -34.63 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.508 1.13 . . . . 73.010000000000005 109.277 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.582 ' CD1' ' HD3' ' A' ' 66' ' ' LYS . 0.5 OUTLIER -58.07 -57.29 13.47 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.449 1.093 . . . . 74.540000000000006 111.062 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.94 HG22 ' C ' ' B' ' 630' ' ' ALA . 74.3 t -56.64 -40.86 72.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 65.319999999999993 109.33 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 1.037 HD13 ' HG ' ' A' ' 33' ' ' CYS . 29.5 mm -57.93 -50.94 76.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.558 1.162 . . . . 74.049999999999997 109.313 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.455 ' CD ' ' HB3' ' A' ' 70' ' ' LEU . 8.4 tpp85 -59.25 -31.32 68.97 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.491 1.12 . . . . 63.25 110.229 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.582 ' HD3' ' CD1' ' A' ' 62' ' ' TYR . 0.1 OUTLIER -64.5 -53.71 43.75 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.529 1.143 . . . . 71.450000000000003 109.312 -179.962 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.413 ' HG3' ' OH ' ' A' ' 49' ' ' TYR . 0.7 OUTLIER -48.26 -66.16 0.45 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.572 1.17 . . . . 74.150000000000006 110.313 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.735 HD12 HD13 ' A' ' 76' ' ' ILE . 5.4 pt -71.23 -5.98 6.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.516 1.135 . . . . 74.209999999999994 109.261 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' MET . . . . . 0.508 ' CG ' ' O ' ' A' ' 68' ' ' ILE . 9.0 ptp 43.21 43.96 4.23 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 64.340000000000003 110.974 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.488 HD12 ' HA ' ' A' ' 70' ' ' LEU . 5.6 tp -66.79 140.75 96.43 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 62.43 109.321 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.13 167.57 26.63 Favored 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.433 1.754 . . . . 75.310000000000002 110.972 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 0.13 9.25 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.612 1.848 . . . . 73.310000000000002 110.997 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -89.23 4.06 49.93 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 75.109999999999999 110.3 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -124.85 -179.39 4.51 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.475 1.11 . . . . 74.239999999999995 109.287 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -138.27 138.06 38.07 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.125 . . . . 54.009999999999998 109.304 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.735 HD13 HD12 ' A' ' 68' ' ' ILE . 0.9 OUTLIER -131.66 121.44 47.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.56 1.163 . . . . 71.129999999999995 109.254 -180.0 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . 0.45 ' HB3' HD11 ' A' ' 84' ' ' LEU . 70.5 m-85 -120.42 143.08 48.66 Favored 'General case' 0 C--N 1.327 -0.408 0 O-C-N 124.468 1.105 . . . . 70.230000000000004 111.02 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.724 ' CG1' HG23 ' A' ' 61' ' ' VAL . 3.7 mm -84.7 157.84 3.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.448 1.092 . . . . 70.040000000000006 109.33 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . 0.484 ' N ' ' O ' ' A' ' 108' ' ' THR . 5.8 m-85 -148.23 129.76 14.92 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 63.119999999999997 111.085 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.604 ' O ' HG23 ' A' ' 83' ' ' THR . 2.0 t -138.2 114.87 11.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.424 1.077 . . . . 75.209999999999994 109.3 -179.899 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . 0.481 ' O ' ' CB ' ' A' ' 82' ' ' ASP . 1.1 m-80 67.31 20.28 10.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.146 . . . . 74.420000000000002 109.347 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . 0.481 ' CB ' ' O ' ' A' ' 81' ' ' ASN . 0.2 OUTLIER 82.42 16.02 0.4 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.47 1.106 . . . . 75.129999999999995 109.259 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' THR . . . . . 0.604 HG23 ' O ' ' A' ' 80' ' ' VAL . 0.7 OUTLIER -121.45 137.59 54.65 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.469 1.106 . . . . 74.25 110.372 -179.936 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.501 ' CD1' ' O ' ' A' ' 78' ' ' ILE . 0.2 OUTLIER -92.87 111.22 50.32 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.574 1.171 . . . . 64.219999999999999 109.284 179.958 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . 0.417 ' HD3' ' O ' ' A' ' 83' ' ' THR . 18.3 Cg_endo -75.01 155.33 42.87 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.483 1.78 . . . . 73.140000000000001 110.972 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . 0.645 ' HD2' ' HB2' ' A' ' 89' ' ' ALA . 18.5 Cg_endo -75.03 -163.34 0.18 Allowed 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.65 1.869 . . . . 70.439999999999998 111.06 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 7.1 p -97.22 -34.81 10.97 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 62.409999999999997 110.323 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -79.62 2.68 21.54 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.412 1.07 . . . . 71.439999999999998 109.224 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 1.039 ' HB1' HD12 ' A' ' 94' ' ' ILE . . . -76.44 60.28 1.56 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.444 1.09 . . . . 73.430000000000007 109.341 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 1.044 ' CD2' HG23 ' A' ' 56' ' ' THR . 14.6 mt -28.34 118.09 0.11 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 71.209999999999994 109.374 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' MET . . . . . 0.457 ' HB3' ' HE1' ' A' ' 91' ' ' MET . 48.2 mmm -40.22 -28.22 0.06 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 71.209999999999994 110.962 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' SER . . . . . 0.419 ' N ' ' O ' ' A' ' 90' ' ' LEU . 1.0 OUTLIER -66.1 -49.66 66.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.595 1.185 . . . . 61.219999999999999 109.97 -179.964 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . 0.446 ' N ' ' O ' ' A' ' 90' ' ' LEU . . . -71.96 -8.15 52.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.566 1.166 . . . . 70.439999999999998 109.256 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 1.039 HD12 ' HB1' ' A' ' 89' ' ' ALA . 19.8 mm -90.21 -47.6 14.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.565 1.165 . . . . 61.530000000000001 109.259 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . 0.793 ' CD2' HD21 ' A' ' 105' ' ' LEU . 5.1 t80 -70.9 -6.45 38.44 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 52.140000000000001 111.068 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . 0.451 ' O ' ' CG ' ' A' ' 96' ' ' GLN . 19.0 tp60 -100.71 -9.7 21.56 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.454 1.096 . . . . 73.329999999999998 110.26 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . 0.458 ' HG3' ' CE1' ' A' ' 98' ' ' HIS . 4.6 pt-20 -118.09 -10.59 10.31 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.535 1.147 . . . . 70.129999999999995 110.322 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . 0.481 ' HB2' HD11 ' A' ' 105' ' ' LEU . 25.0 m-70 -125.8 16.78 8.04 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 62.030000000000001 109.625 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.481 ' HB3' ' O ' ' A' ' 95' ' ' TYR . 0.1 OUTLIER -57.05 157.19 6.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.607 1.192 . . . . 60.420000000000002 109.322 -179.953 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -126.72 173.81 9.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.11 . . . . 64.510000000000005 109.29 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 20.9 mmmt -60.45 -31.18 70.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 74.239999999999995 109.338 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . 0.677 ' CG ' ' HH ' ' A' ' 106' ' ' TYR . 0.4 OUTLIER -84.11 -15.22 48.09 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.572 1.17 . . . . 52.350000000000001 109.293 179.927 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . 0.473 ' O ' ' CE2' ' A' ' 95' ' ' TYR . . . 87.87 -39.31 3.12 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.491 1.119 . . . . 42.140000000000001 110.992 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . 0.784 ' HB3' HH21 ' A' ' 14' ' ' ARG . 11.9 m-85 -59.7 121.08 10.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 0.759 . . . . 73.230000000000004 110.996 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.793 HD21 ' CD2' ' A' ' 95' ' ' TYR . 0.3 OUTLIER -66.06 146.33 54.8 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 74.420000000000002 109.335 179.955 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . 0.677 ' HH ' ' CG ' ' A' ' 102' ' ' ASP . 73.0 m-85 -122.82 88.8 2.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.144 . . . . 64.400000000000006 110.929 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . 0.68 HG13 ' HA ' ' A' ' 33' ' ' CYS . 3.1 p -95.09 168.19 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.506 1.129 . . . . 71.319999999999993 109.28 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' THR . . . . . 0.911 HG21 ' HB3' ' A' ' 34' ' ' GLU . 0.2 OUTLIER -153.02 126.84 8.9 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.468 1.105 . . . . 74.209999999999994 110.388 -179.958 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' TYR . . . . . 0.625 ' CD2' HD12 ' A' ' 76' ' ' ILE . 40.4 p90 -112.34 138.68 48.72 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.381 1.051 . . . . 63.539999999999999 111.047 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -128.71 162.9 26.3 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.507 1.129 . . . . 73.5 109.978 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . 0.471 ' HA3' ' CG2' ' A' ' 41' ' ' ILE . . . -74.01 -31.35 59.94 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.462 1.101 . . . . 54.340000000000003 111.01 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . 0.427 ' OE1' ' N ' ' A' ' 112' ' ' GLU . 3.6 pm0 -97.29 177.28 5.61 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 0.784 . . . . 65.25 110.318 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 38.8 t30 -112.64 28.62 8.63 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.553 1.158 . . . . 71.129999999999995 109.314 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' THR . . . . . 0.552 HG23 ' H ' ' A' ' 115' ' ' PHE . 3.1 m -153.55 -178.1 6.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.13 . . . . 73.219999999999999 110.39 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . 0.552 ' H ' HG23 ' A' ' 114' ' ' THR . 1.3 p90 -119.3 97.26 5.58 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.594 1.184 . . . . 74.329999999999998 111.036 -179.917 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.948 0 O-C-N 124.573 1.17 . . . . 63.520000000000003 111.004 -179.957 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 597' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 N-CA-C 110.951 -0.86 . . . . 75.340000000000003 110.951 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 598' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.09 131.52 14.28 Favored 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.484 1.781 . . . . 62.549999999999997 110.959 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 599' ' ' HIS . . . . . . . . . . . . . 11.1 t-160 -93.97 130.32 40.11 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 61.329999999999998 109.559 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 600' ' ' MET . . . . . . . . . . . . . 2.7 ptt? -68.99 119.55 13.47 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.434 1.084 . . . . 71.310000000000002 110.991 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 601' ' ' ILE . . . . . . . . . . . . . 2.2 tt -43.05 135.33 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.566 1.166 . . . . 72.439999999999998 109.258 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 602' ' ' SER . . . . . . . . . . . . . 97.9 p -118.81 131.7 56.1 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.462 1.101 . . . . 55.439999999999998 109.981 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 603' ' ' GLY . . . . . . . . . . . . . . . 176.76 -130.33 1.64 Allowed Glycine 0 CA--C 1.529 0.93 0 O-C-N 124.521 1.138 . . . . 71.310000000000002 111.031 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 604' ' ' LEU . . . . . . . . . . . . . 1.4 pt? -118.09 126.38 52.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 0.753 . . . . 63.329999999999998 109.294 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 605' ' ' SER . . . . . . . . . . . . . 4.9 p -164.24 162.79 22.76 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.449 1.093 . . . . 73.049999999999997 110.018 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 606' ' ' VAL . . . . . . . . . . . . . 28.4 m -59.86 175.4 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.133 . . . . 74.109999999999999 109.341 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 607' ' ' ILE . . . . . 0.735 HG22 ' H ' ' B' ' 608' ' ' LYS . 0.6 OUTLIER -104.09 179.22 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.54 1.15 . . . . 71.450000000000003 109.267 -179.959 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 608' ' ' LYS . . . . . 0.735 ' H ' HG22 ' B' ' 607' ' ' ILE . 0.0 OUTLIER -152.1 109.54 3.59 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 71.519999999999996 109.33 179.97 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 609' ' ' GLN . . . . . 0.405 ' HG2' ' CD ' ' A' ' 10' ' ' PRO . 2.5 mp0 -104.24 128.18 51.96 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.602 1.189 . . . . 75.510000000000005 110.338 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 610' ' ' GLU . . . . . . . . . . . . . 17.8 mm-40 -118.33 -174.75 2.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 74.310000000000002 110.313 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 611' ' ' VAL . . . . . 0.458 HG21 ' O ' ' B' ' 614' ' ' LEU . 0.4 OUTLIER -135.94 117.62 20.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.566 1.167 . . . . 74.530000000000001 109.335 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 612' ' ' GLU . . . . . 0.738 ' H ' ' HE2' ' A' ' 8' ' ' GLU . 6.7 pt-20 -102.6 -38.03 7.69 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.502 1.126 . . . . 72.219999999999999 110.307 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 613' ' ' ARG . . . . . 0.638 ' HG3' HD12 ' B' ' 614' ' ' LEU . 0.8 OUTLIER -150.3 -44.73 0.13 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.155 . . . . 71.310000000000002 110.31 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 614' ' ' LEU . . . . . 0.638 HD12 ' HG3' ' B' ' 613' ' ' ARG . 5.1 mp -69.24 -169.03 0.17 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 75.010000000000005 109.293 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 615' ' ' GLY . . . . . . . . . . . . . . . -174.84 -111.52 0.28 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.516 1.135 . . . . 55.229999999999997 110.963 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 616' ' ' ASN . . . . . . . . . . . . . 8.1 t30 -58.63 -87.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 0.757 . . . . 73.319999999999993 109.32 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 617' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -55.11 -169.5 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.556 0 O-C-N 124.576 1.172 . . . . 64.209999999999994 109.324 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 618' ' ' VAL . . . . . 0.607 ' O ' HD21 ' B' ' 614' ' ' LEU . 0.0 OUTLIER -110.72 -24.6 3.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.586 1.179 . . . . 73.239999999999995 109.307 179.957 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 619' ' ' PHE . . . . . 0.561 ' CZ ' ' HE2' ' A' ' 48' ' ' LYS . 9.8 m-85 -122.25 107.37 12.04 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.541 1.15 . . . . 72.230000000000004 111.025 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 620' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -139.19 50.64 1.8 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.464 1.103 . . . . 53.420000000000002 110.295 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 621' ' ' TRP . . . . . 0.414 ' HZ3' HD11 ' B' ' 614' ' ' LEU . 1.9 p90 -151.7 -177.24 5.99 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.124 . . . . 73.319999999999993 108.003 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 622' ' ' GLU . . . . . 0.45 ' HG3' ' N ' ' B' ' 623' ' ' ASP . 4.5 tp10 -41.71 -82.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.14 . . . . 64.150000000000006 110.298 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 623' ' ' ASP . . . . . 0.509 ' OD2' ' CB ' ' B' ' 626' ' ' SER . 13.1 t0 -74.35 64.42 1.12 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.457 1.098 . . . . 72.319999999999993 109.365 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 624' ' ' ASP . . . . . 0.525 ' O ' ' CG ' ' B' ' 619' ' ' PHE . 1.3 p-10 -59.53 -50.3 74.42 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.517 1.136 . . . . 63.210000000000001 109.305 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 625' ' ' GLU . . . . . 0.478 ' N ' ' CG ' ' B' ' 624' ' ' ASP . 0.0 OUTLIER -136.67 8.79 3.08 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.404 1.065 . . . . 75.099999999999994 110.258 -179.967 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 626' ' ' SER . . . . . 0.509 ' CB ' ' OD2' ' B' ' 623' ' ' ASP . 0.9 OUTLIER -38.78 150.79 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.547 1.154 . . . . 72.439999999999998 110.002 179.951 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 627' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -86.48 10.31 15.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 61.450000000000003 109.408 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 628' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -72.0 -12.63 61.32 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.493 1.121 . . . . 70.040000000000006 110.218 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 629' ' ' ILE . . . . . 0.486 ' C ' HD13 ' B' ' 629' ' ' ILE . 0.7 OUTLIER -92.07 26.57 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 61.409999999999997 109.284 -179.969 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 630' ' ' ALA . . . . . 0.94 ' C ' HG22 ' A' ' 63' ' ' VAL . . . . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.548 1.155 . . . . 73.25 109.303 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 0' ' ' HIS . . . . . 0.414 ' ND1' ' N ' ' A' ' 0' ' ' HIS . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.607 -0.516 . . . . 72.510000000000005 109.607 . . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.4 mmt -87.56 -173.54 4.39 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.524 1.14 . . . . 71.219999999999999 111.0 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 81.9 mttt -133.56 -52.05 0.87 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 64.099999999999994 109.245 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.466 ' HA ' ' CZ ' ' A' ' 47' ' ' ARG . 6.1 m -72.33 174.69 6.96 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.564 1.165 . . . . 61.210000000000001 110.005 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 2.1 p -139.87 -74.22 0.36 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 74.439999999999998 110.4 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.808 ' HA ' HD11 ' B' ' 614' ' ' LEU . 59.1 t80 -66.56 -23.1 66.16 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.11 . . . . 75.109999999999999 111.031 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.93 ' HD3' HG21 ' A' ' 32' ' ' ILE . 3.8 mtmm -100.86 -24.45 14.36 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.415 1.072 . . . . 72.109999999999999 109.289 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.403 ' OG ' ' OE2' ' B' ' 612' ' ' GLU . 1.3 t -70.09 -6.53 34.55 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.485 1.116 . . . . 63.350000000000001 110.002 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.911 ' HE2' ' H ' ' B' ' 612' ' ' GLU . 6.9 tp10 -79.77 -50.35 10.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 75.049999999999997 110.379 179.889 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.985 ' CZ ' HG12 ' B' ' 618' ' ' VAL . 2.3 p90 -123.53 165.17 24.23 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.541 1.15 . . . . 62.130000000000003 110.958 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.49 ' HD3' ' CG ' ' B' ' 609' ' ' GLN . 18.4 Cg_endo -74.99 -177.16 3.27 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.521 1.8 . . . . 44.439999999999998 111.017 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.41 ' CE1' ' HB3' ' A' ' 102' ' ' ASP . 33.5 t80 -74.52 -33.06 62.69 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.538 1.149 . . . . 73.120000000000005 111.074 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.403 ' HG2' ' NZ ' ' A' ' 15' ' ' LYS . 18.9 mt-10 -69.81 -7.2 37.86 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.471 1.107 . . . . 72.25 110.284 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 6.4 tppt? -100.42 -41.52 6.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.141 . . . . 72.310000000000002 109.309 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.658 ' NE ' ' HH ' ' A' ' 106' ' ' TYR . 3.3 ptm85 -72.64 -39.57 67.07 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.425 1.078 . . . . 72.400000000000006 110.317 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.443 ' N ' ' CG ' ' A' ' 14' ' ' ARG . 47.5 pttt -58.9 -37.22 76.13 Favored 'General case' 0 C--N 1.327 -0.404 0 O-C-N 124.433 1.083 . . . . 63.020000000000003 109.363 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -82.4 -16.07 50.38 Favored 'General case' 0 C--N 1.327 -0.392 0 O-C-N 124.467 1.105 . . . . 52.130000000000003 109.281 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.56 ' HG2' HG22 ' B' ' 618' ' ' VAL . 27.3 tp10 -76.3 -50.85 13.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.558 1.161 . . . . 64.25 110.321 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.482 ' OG ' ' CD2' ' A' ' 104' ' ' PHE . 0.0 OUTLIER -66.38 -10.35 42.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.59 1.181 . . . . 73.400000000000006 110.008 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -72.04 -41.0 67.98 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.138 . . . . 72.310000000000002 110.344 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.448 ' HD2' ' HE2' ' A' ' 17' ' ' GLU . 0.7 OUTLIER -81.31 -27.91 34.82 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.502 1.126 . . . . 74.030000000000001 110.282 179.959 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.46 HG12 ' CE2' ' A' ' 25' ' ' PHE . 3.7 mt -69.05 -19.17 23.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.543 1.152 . . . . 70.129999999999995 109.347 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.409 ' O ' ' HB3' ' A' ' 26' ' ' PRO . . . -78.97 -11.96 60.02 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.454 1.097 . . . . 53.32 109.309 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -106.18 -36.63 6.84 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 74.040000000000006 109.295 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.497 ' HB3' ' CE1' ' A' ' 25' ' ' PHE . 5.3 mmm180 -81.26 -39.11 25.79 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.145 . . . . 72.200000000000003 110.233 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.497 ' CE1' ' HB3' ' A' ' 24' ' ' ARG . 1.9 m-85 -130.41 66.86 79.26 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.597 1.185 . . . . 64.319999999999993 111.065 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.409 ' HB3' ' O ' ' A' ' 22' ' ' ALA . 18.5 Cg_endo -74.97 -31.91 5.85 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.52 1.8 . . . . 74.200000000000003 111.096 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 51.8 m-20 -87.42 11.73 13.89 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.474 1.109 . . . . 72.439999999999998 109.246 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.502 ' O ' HD11 ' A' ' 29' ' ' ILE . 1.6 mmt-85 -105.77 -175.94 2.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 75.129999999999995 110.324 179.891 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.688 HG23 ' CB ' ' A' ' 95' ' ' TYR . 37.4 mm -145.08 97.34 4.84 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 73.209999999999994 109.207 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.565 ' HA ' ' CD2' ' A' ' 50' ' ' LEU . 18.2 Cg_endo -75.06 139.63 24.36 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.502 1.79 . . . . 64.019999999999996 111.031 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.835 HG21 ' HB3' ' A' ' 105' ' ' LEU . 5.0 p -156.76 147.22 11.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 75.340000000000003 109.272 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.93 HG21 ' HD3' ' A' ' 6' ' ' LYS . 4.4 mm -111.11 105.76 19.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 65.239999999999995 109.295 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.565 ' HB2' ' CD1' ' A' ' 49' ' ' TYR . 0.5 OUTLIER -76.36 146.77 38.53 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 43.200000000000003 108.28 -179.969 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.706 ' HB3' HG21 ' A' ' 108' ' ' THR . 6.3 tt0 -135.42 168.82 18.5 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.572 1.17 . . . . 74.129999999999995 110.296 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.413 ' HD2' ' N ' ' A' ' 36' ' ' ALA . 0.0 OUTLIER -127.19 127.42 44.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 74.109999999999999 109.293 -179.975 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.449 ' HB3' ' HB2' ' A' ' 110' ' ' SER . . . -74.45 134.87 42.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.115 . . . . 61.539999999999999 109.289 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.447 ' CG ' ' N ' ' A' ' 38' ' ' LYS . 11.2 pt-20 -64.72 -52.25 58.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 72.099999999999994 110.312 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.447 ' N ' ' CG ' ' A' ' 37' ' ' GLU . 47.3 mttt -41.83 -36.6 1.07 Allowed 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.395 1.06 . . . . 70.129999999999995 109.294 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.707 ' HG ' ' H ' ' A' ' 111' ' ' GLY . 0.4 OUTLIER -54.62 169.97 0.18 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 61.219999999999999 109.998 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -123.43 13.7 9.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 65.120000000000005 109.337 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.588 HD12 ' CE1' ' A' ' 109' ' ' TYR . 0.1 OUTLIER -89.11 165.6 25.8 Favored Pre-proline 0 C--N 1.327 -0.402 0 O-C-N 124.469 1.105 . . . . 75.430000000000007 109.302 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . 0.626 ' O ' HG21 ' A' ' 68' ' ' ILE . 18.2 Cg_endo -74.99 130.03 12.9 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.547 1.814 . . . . 64.400000000000006 110.977 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 22.3 tt0 -61.38 155.44 21.5 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.518 1.136 . . . . 74.430000000000007 110.27 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.71 ' HB ' ' HH ' ' A' ' 109' ' ' TYR . 6.7 tt -80.71 158.46 4.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.542 1.151 . . . . 73.530000000000001 109.26 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . 0.43 ' N ' HG12 ' A' ' 44' ' ' ILE . 0.9 OUTLIER -66.29 -46.84 75.6 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.528 1.143 . . . . 74.129999999999995 109.245 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.643 ' O ' HD11 ' A' ' 44' ' ' ILE . 0.0 OUTLIER -149.47 170.45 18.55 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.448 1.092 . . . . 72.310000000000002 109.253 -179.982 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.7 ' HB3' HG22 ' A' ' 32' ' ' ILE . 3.1 mtt180 -114.41 93.72 4.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 73.310000000000002 110.379 179.905 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.57 ' HE2' ' CZ ' ' A' ' 5' ' ' PHE . 0.0 OUTLIER -168.81 118.12 0.7 Allowed 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.499 1.124 . . . . 65.409999999999997 109.273 179.954 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.706 ' HH ' ' CD1' ' A' ' 44' ' ' ILE . 46.5 m-85 -141.03 122.26 14.79 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.555 1.159 . . . . 72.340000000000003 111.047 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.565 ' CD2' ' HA ' ' A' ' 30' ' ' PRO . 6.7 mt -110.26 76.75 1.0 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 74.329999999999998 109.302 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.578 HG11 ' CD1' ' A' ' 60' ' ' PHE . 31.4 m -81.22 154.36 72.08 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 63.399999999999999 109.333 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . 0.418 ' HD3' ' CB ' ' B' ' 630' ' ' ALA . 18.1 Cg_endo -74.96 173.98 13.57 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.394 1.734 . . . . 72.439999999999998 110.962 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -86.83 18.04 3.7 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.45 1.094 . . . . 72.450000000000003 109.312 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 47.3 m-20 -119.44 -37.89 3.09 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.542 1.151 . . . . 72.409999999999997 109.278 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.427 ' HG ' ' CB ' ' A' ' 59' ' ' GLN . 0.5 OUTLIER -58.76 137.02 57.89 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.56 1.163 . . . . 73.349999999999994 109.259 -179.949 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.517 HG23 ' CD1' ' A' ' 90' ' ' LEU . 1.4 p -96.83 -175.67 3.35 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.529 1.143 . . . . 33.539999999999999 110.413 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.663 ' O ' HG21 ' A' ' 61' ' ' VAL . 2.6 t -70.64 -40.54 77.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.403 1.064 . . . . 60.439999999999998 109.26 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -66.5 -32.75 82.6 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.514 1.134 . . . . 73.230000000000004 111.026 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . 0.427 ' CB ' ' HG ' ' A' ' 55' ' ' LEU . 8.1 mt-30 -77.51 -24.0 50.15 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 0.748 . . . . 74.530000000000001 110.283 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.581 ' CZ ' HD12 ' A' ' 64' ' ' ILE . 36.5 t80 -77.13 -42.59 37.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 73.030000000000001 111.048 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.677 HG13 ' CG2' ' A' ' 76' ' ' ILE . 66.6 t -53.26 -34.45 22.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.506 1.129 . . . . 73.010000000000005 109.261 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.593 ' CE1' ' HD2' ' A' ' 66' ' ' LYS . 0.7 OUTLIER -57.74 -38.27 75.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 74.540000000000006 110.992 -179.97 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.628 HG11 ' HA ' ' B' ' 629' ' ' ILE . 64.3 t -74.72 -44.95 45.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 65.319999999999993 109.287 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.698 ' CD1' ' CE2' ' A' ' 49' ' ' TYR . 8.2 mm -60.38 -32.93 52.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.526 1.141 . . . . 74.049999999999997 109.334 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.425 ' CD ' ' HB3' ' A' ' 70' ' ' LEU . 5.5 tpp85 -82.32 -10.99 58.88 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.447 1.092 . . . . 63.25 110.286 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.593 ' HD2' ' CE1' ' A' ' 62' ' ' TYR . 4.6 mttp -86.57 -39.49 16.13 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.582 1.176 . . . . 71.450000000000003 109.316 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.42 ' NH1' ' OE1' ' B' ' 628' ' ' GLU . 0.8 OUTLIER -59.67 -41.23 90.15 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.507 1.129 . . . . 74.150000000000006 110.387 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.626 HG21 ' O ' ' A' ' 42' ' ' PRO . 3.9 pt -99.82 4.25 10.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 74.209999999999994 109.31 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' MET . . . . . 0.402 ' C ' ' O ' ' A' ' 68' ' ' ILE . 3.5 ptp 37.43 34.53 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 64.340000000000003 110.916 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.469 HD12 ' HD2' ' A' ' 71' ' ' PRO . 19.5 tp -51.0 139.24 23.33 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.468 1.105 . . . . 62.43 109.286 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.469 ' HD2' HD12 ' A' ' 70' ' ' LEU . 18.2 Cg_endo -75.1 171.45 18.29 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.531 1.806 . . . . 75.310000000000002 110.988 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -14.92 21.14 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.505 1.792 . . . . 73.310000000000002 111.047 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -71.45 -18.94 62.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.607 1.192 . . . . 75.109999999999999 110.307 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 2.9 mttm -109.54 -179.02 3.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.416 1.073 . . . . 74.239999999999995 109.317 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -136.5 -179.45 5.69 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.542 1.151 . . . . 54.009999999999998 109.278 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.705 HD12 ' CD1' ' A' ' 109' ' ' TYR . 1.3 tt -165.62 136.08 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.469 1.106 . . . . 71.129999999999995 109.298 -179.892 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . 0.6 ' HB3' HD11 ' A' ' 84' ' ' LEU . 89.1 m-85 -135.25 133.01 38.52 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.527 1.142 . . . . 70.230000000000004 111.094 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.633 ' CG1' HG23 ' A' ' 61' ' ' VAL . 5.7 mm -84.25 123.54 39.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.42 1.075 . . . . 70.040000000000006 109.337 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -112.86 122.19 46.9 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.535 1.147 . . . . 63.119999999999997 110.968 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.557 HG23 ' ND2' ' A' ' 81' ' ' ASN . 8.2 p -125.78 108.31 19.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.46 1.1 . . . . 75.209999999999994 109.28 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . 0.557 ' ND2' HG23 ' A' ' 80' ' ' VAL . 4.0 m-80 73.27 29.07 1.73 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.466 1.104 . . . . 74.420000000000002 109.358 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 70.43 13.56 7.47 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.487 1.117 . . . . 75.129999999999995 109.361 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' THR . . . . . 0.508 ' O ' ' CG2' ' A' ' 83' ' ' THR . 0.5 OUTLIER -126.47 112.33 15.46 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.452 1.095 . . . . 74.25 110.418 -179.97 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.6 HD11 ' HB3' ' A' ' 77' ' ' PHE . 0.5 OUTLIER -73.34 115.21 38.82 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.59 1.181 . . . . 64.219999999999999 109.241 -179.969 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 161.06 39.44 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.447 1.761 . . . . 73.140000000000001 111.022 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . 0.713 ' HD2' ' HB2' ' A' ' 89' ' ' ALA . 18.4 Cg_endo -75.08 -179.79 5.35 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.486 1.782 . . . . 70.439999999999998 110.995 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' THR . . . . . 0.426 ' H ' HG21 ' A' ' 87' ' ' THR . 2.7 p -82.16 -35.05 28.8 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.438 1.086 . . . . 62.409999999999997 110.443 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -80.97 6.02 14.6 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.533 1.146 . . . . 71.439999999999998 109.302 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 1.097 ' HB1' HD12 ' A' ' 94' ' ' ILE . . . -76.34 62.66 1.84 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 73.430000000000007 109.263 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.559 ' C ' ' O ' ' A' ' 89' ' ' ALA . 0.6 OUTLIER -26.73 114.89 0.06 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.556 1.16 . . . . 71.209999999999994 109.309 179.963 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' MET . . . . . 0.504 ' HE3' HG22 ' A' ' 51' ' ' VAL . 48.7 mmm -40.28 -27.77 0.05 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.57 1.169 . . . . 71.209999999999994 110.984 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' SER . . . . . 0.419 ' N ' ' O ' ' A' ' 90' ' ' LEU . 0.4 OUTLIER -66.64 -52.08 48.96 Favored 'General case' 0 C--N 1.323 -0.563 0 O-C-N 124.543 1.152 . . . . 61.219999999999999 109.962 -179.907 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . 0.407 ' N ' ' O ' ' A' ' 90' ' ' LEU . . . -69.99 -8.27 47.69 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.56 1.163 . . . . 70.439999999999998 109.307 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 1.097 HD12 ' HB1' ' A' ' 89' ' ' ALA . 36.8 mm -92.44 -42.41 13.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.105 . . . . 61.530000000000001 109.297 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . 0.688 ' CB ' HG23 ' A' ' 29' ' ' ILE . 4.0 t80 -76.58 -4.54 43.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.115 . . . . 52.140000000000001 110.989 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . 0.442 ' O ' ' CG ' ' A' ' 96' ' ' GLN . 22.8 tp60 -104.26 -10.3 17.96 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.547 1.155 . . . . 73.329999999999998 110.242 -179.906 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -121.22 -5.89 9.42 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.486 1.116 . . . . 70.129999999999995 110.287 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . 0.68 ' HB2' HD11 ' A' ' 105' ' ' LEU . 8.8 m-70 -123.46 11.98 9.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.657 1.223 . . . . 62.030000000000001 109.606 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.48 ' HB3' ' O ' ' A' ' 95' ' ' TYR . 0.1 OUTLIER -67.09 155.45 38.68 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.537 1.148 . . . . 60.420000000000002 109.317 179.959 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . 0.422 ' O ' ' N ' ' A' ' 103' ' ' GLY . 1.3 t70 -130.63 178.21 6.8 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.425 1.078 . . . . 64.510000000000005 109.28 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 29.8 mtmm -47.06 -53.87 11.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.584 1.177 . . . . 74.239999999999995 109.265 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . 0.594 ' HD2' ' HE2' ' A' ' 106' ' ' TYR . 1.1 p30 -61.62 -26.16 67.82 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.485 1.115 . . . . 52.350000000000001 109.312 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . 0.422 ' N ' ' O ' ' A' ' 100' ' ' ASP . . . 93.88 -39.39 2.94 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.519 1.137 . . . . 42.140000000000001 110.976 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . 0.561 ' CE1' ' NZ ' ' A' ' 48' ' ' LYS . 12.6 m-85 -57.36 122.18 11.96 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.499 0.764 . . . . 73.230000000000004 111.003 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.835 ' HB3' HG21 ' A' ' 31' ' ' VAL . 0.2 OUTLIER -61.75 163.48 7.32 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.435 1.084 . . . . 74.420000000000002 109.268 -179.95 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . 0.658 ' HH ' ' NE ' ' A' ' 14' ' ' ARG . 81.5 m-85 -145.64 115.33 7.27 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.56 1.163 . . . . 64.400000000000006 110.983 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . 0.732 HG21 ' N ' ' A' ' 108' ' ' THR . 1.4 m -122.42 -178.29 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.455 1.097 . . . . 71.319999999999993 109.316 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' THR . . . . . 0.732 ' N ' HG21 ' A' ' 107' ' ' VAL . 1.2 m -153.22 106.12 2.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 74.209999999999994 110.372 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' TYR . . . . . 0.71 ' HH ' ' HB ' ' A' ' 44' ' ' ILE . 11.4 p90 -94.87 122.9 37.98 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.478 1.112 . . . . 63.539999999999999 110.974 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' SER . . . . . 0.449 ' HB2' ' HB3' ' A' ' 36' ' ' ALA . 15.2 t -134.46 155.14 50.87 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.538 1.149 . . . . 73.5 109.998 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . 0.707 ' H ' ' HG ' ' A' ' 39' ' ' SER . . . -58.78 -40.64 95.28 Favored Glycine 0 CA--C 1.528 0.9 0 O-C-N 124.415 1.072 . . . . 54.340000000000003 110.935 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . 0.577 ' HE2' ' HA ' ' A' ' 39' ' ' SER . 25.9 pm0 -94.26 151.89 19.1 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.454 0.738 . . . . 65.25 110.326 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 60.2 t-20 -93.56 38.62 1.06 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 71.129999999999995 109.328 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' THR . . . . . 0.681 HG23 ' H ' ' A' ' 115' ' ' PHE . 7.0 m -155.84 -174.59 5.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.146 . . . . 73.219999999999999 110.41 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . 0.681 ' H ' HG23 ' A' ' 114' ' ' THR . 4.0 p90 -115.18 98.25 6.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.146 . . . . 74.329999999999998 110.996 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.921 0 O-C-N 124.574 1.171 . . . . 63.520000000000003 111.047 -179.959 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 597' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.029 0 N-CA-C 110.964 -0.854 . . . . 75.340000000000003 110.964 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 598' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -172.44 1.25 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.477 1.778 . . . . 62.549999999999997 110.987 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 599' ' ' HIS . . . . . . . . . . . . . 5.5 m170 -80.8 155.36 26.68 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.516 1.135 . . . . 61.329999999999998 109.618 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 600' ' ' MET . . . . . 0.411 ' HG2' ' N ' ' B' ' 601' ' ' ILE . 4.6 ttt -41.07 159.06 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.541 1.151 . . . . 71.310000000000002 111.005 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 601' ' ' ILE . . . . . 0.589 HG22 ' H ' ' B' ' 602' ' ' SER . 5.1 mm -134.25 171.04 18.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 72.439999999999998 109.314 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 602' ' ' SER . . . . . 0.589 ' H ' HG22 ' B' ' 601' ' ' ILE . 1.1 t -45.19 169.43 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 55.439999999999998 110.01 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 603' ' ' GLY . . . . . . . . . . . . . . . -70.51 125.88 14.57 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.536 1.148 . . . . 71.310000000000002 111.069 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 604' ' ' LEU . . . . . . . . . . . . . 6.1 tp -119.46 149.92 41.07 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.47 0.747 . . . . 63.329999999999998 109.303 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 605' ' ' SER . . . . . . . . . . . . . 15.0 p -86.39 119.35 26.57 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.415 1.072 . . . . 73.049999999999997 109.973 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 606' ' ' VAL . . . . . 0.596 HG23 ' H ' ' B' ' 607' ' ' ILE . 7.3 p -104.64 173.12 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.515 1.135 . . . . 74.109999999999999 109.315 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 607' ' ' ILE . . . . . 0.596 ' H ' HG23 ' B' ' 606' ' ' VAL . 14.2 mm -84.59 152.07 3.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.551 1.157 . . . . 71.450000000000003 109.308 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 608' ' ' LYS . . . . . . . . . . . . . 8.9 pttm -105.99 -19.54 13.7 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.522 1.139 . . . . 71.519999999999996 109.312 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 609' ' ' GLN . . . . . 0.49 ' CG ' ' HD3' ' A' ' 10' ' ' PRO . 82.4 mm-40 -49.4 178.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 75.510000000000005 110.203 -179.904 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 610' ' ' GLU . . . . . . . . . . . . . 24.8 mm-40 -98.19 172.83 7.33 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.443 1.09 . . . . 74.310000000000002 110.295 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 611' ' ' VAL . . . . . 0.739 HG13 ' OE1' ' A' ' 8' ' ' GLU . 50.4 t -130.59 133.1 64.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 74.530000000000001 109.343 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 612' ' ' GLU . . . . . 0.911 ' H ' ' HE2' ' A' ' 8' ' ' GLU . 1.7 pt-20 -115.46 -62.6 1.57 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.464 1.102 . . . . 72.219999999999999 110.325 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 613' ' ' ARG . . . . . 0.405 ' NH1' ' HB3' ' B' ' 613' ' ' ARG . 4.9 ptp180 -120.04 -30.27 4.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.42 1.075 . . . . 71.310000000000002 110.24 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 614' ' ' LEU . . . . . 0.826 HD12 ' CB ' ' A' ' 8' ' ' GLU . 2.9 mt -86.49 -157.38 0.35 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.462 1.101 . . . . 75.010000000000005 109.334 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 615' ' ' GLY . . . . . 0.849 ' HA3' ' HE2' ' B' ' 620' ' ' GLU . . . -171.18 -102.38 0.16 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.445 1.091 . . . . 55.229999999999997 110.941 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 616' ' ' ASN . . . . . . . . . . . . . 11.5 t30 -81.9 -79.65 0.17 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.405 0.709 . . . . 73.319999999999993 109.29 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 617' ' ' ASP . . . . . 0.4 ' O ' ' C ' ' B' ' 618' ' ' VAL . 48.1 m-20 -71.64 133.43 45.69 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.15 . . . . 64.209999999999994 109.316 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 618' ' ' VAL . . . . . 0.985 HG12 ' CZ ' ' A' ' 9' ' ' TYR . 0.2 OUTLIER -40.13 -38.84 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 73.239999999999995 109.339 -179.961 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 619' ' ' PHE . . . . . 0.529 ' O ' ' CG ' ' B' ' 620' ' ' GLU . 4.7 m-30 -82.76 -84.48 0.12 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.55 1.156 . . . . 72.230000000000004 111.009 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 620' ' ' GLU . . . . . 0.849 ' HE2' ' HA3' ' B' ' 615' ' ' GLY . 5.6 pt-20 49.88 20.95 0.62 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.542 1.151 . . . . 53.420000000000002 110.324 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 621' ' ' TRP . . . . . 0.643 ' CD1' ' O ' ' B' ' 622' ' ' GLU . 0.6 OUTLIER -138.87 168.5 19.68 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 108.079 -1.082 . . . . 73.319999999999993 108.079 179.924 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 622' ' ' GLU . . . . . 0.643 ' O ' ' CD1' ' B' ' 621' ' ' TRP . 5.4 pm0 -53.35 -162.64 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.444 1.09 . . . . 64.150000000000006 110.299 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 623' ' ' ASP . . . . . 0.419 ' C ' ' O ' ' B' ' 622' ' ' GLU . 2.3 m-20 38.89 55.28 2.03 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.424 1.077 . . . . 72.319999999999993 109.266 -179.924 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 624' ' ' ASP . . . . . 0.447 ' OD2' ' N ' ' B' ' 625' ' ' GLU . 2.2 t70 -59.54 -78.6 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.548 1.155 . . . . 63.210000000000001 109.275 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 625' ' ' GLU . . . . . 0.465 ' O ' ' C ' ' B' ' 626' ' ' SER . 1.4 pp20? -112.35 -7.0 14.0 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.465 1.103 . . . . 75.099999999999994 110.282 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 626' ' ' SER . . . . . 0.465 ' C ' ' O ' ' B' ' 625' ' ' GLU . 41.0 t -33.85 148.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 72.439999999999998 110.017 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 627' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -83.19 8.35 13.48 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.474 1.109 . . . . 61.450000000000003 109.379 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 628' ' ' GLU . . . . . 0.42 ' OE1' ' NH1' ' A' ' 67' ' ' ARG . 0.0 OUTLIER -56.4 -31.08 63.52 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.475 1.11 . . . . 70.040000000000006 110.371 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 629' ' ' ILE . . . . . 0.628 ' HA ' HG11 ' A' ' 63' ' ' VAL . 0.8 OUTLIER -93.33 21.81 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.431 1.082 . . . . 61.409999999999997 109.27 179.955 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 630' ' ' ALA . . . . . 0.576 ' HB2' HG12 ' A' ' 51' ' ' VAL . . . . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 73.25 109.311 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 0' ' ' HIS . . . . . . . . . . . . . 1.9 p80 . . . . . 0 N--CA 1.454 -0.251 0 N-CA-C 109.602 -0.518 . . . . 72.510000000000005 109.602 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.9 ptp -108.55 -173.5 2.29 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.513 1.133 . . . . 71.219999999999999 110.976 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 6.1 mtmm -137.14 -47.92 0.59 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.576 1.173 . . . . 64.099999999999994 109.152 -179.878 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 95.4 p -75.56 135.68 40.57 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.478 1.111 . . . . 61.210000000000001 110.057 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.832 ' HG1' ' HA ' ' A' ' 46' ' ' LYS . 2.1 p -127.49 -79.52 0.59 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 74.439999999999998 110.391 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.609 ' CZ ' ' OH ' ' A' ' 9' ' ' TYR . 20.2 t80 -62.67 -12.7 25.09 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 75.109999999999999 110.997 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 12.0 tttt -100.48 -13.8 18.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.566 1.166 . . . . 72.109999999999999 109.302 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 28.8 t -103.63 5.29 36.37 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.528 1.143 . . . . 63.350000000000001 110.039 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.877 ' HE2' ' H ' ' B' ' 612' ' ' GLU . 18.9 tp10 -84.13 -18.4 36.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.412 1.07 . . . . 75.049999999999997 110.232 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.609 ' OH ' ' CZ ' ' A' ' 5' ' ' PHE . 0.3 OUTLIER -159.26 171.33 7.51 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.565 1.166 . . . . 62.130000000000003 110.976 179.986 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.43 ' N ' ' HG2' ' B' ' 609' ' ' GLN . 18.2 Cg_endo -75.01 -177.17 3.28 Favored 'Trans proline' 0 C--N 1.361 1.232 0 O-C-N 124.421 1.748 . . . . 44.439999999999998 111.033 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.51 ' HA ' ' CD ' ' A' ' 14' ' ' ARG . 1.0 OUTLIER -73.27 -22.85 60.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.41 1.069 . . . . 73.120000000000005 110.987 -179.95 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.479 ' HA ' ' CD ' ' A' ' 15' ' ' LYS . 40.4 mt-10 -75.57 -4.09 37.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.57 1.169 . . . . 72.25 110.351 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.497 ' CB ' ' HB2' ' A' ' 9' ' ' TYR . 0.1 OUTLIER -86.17 -64.66 1.12 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.411 1.069 . . . . 72.310000000000002 109.29 -179.971 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.515 ' CZ ' ' OH ' ' A' ' 106' ' ' TYR . 0.0 OUTLIER -57.83 -25.35 60.52 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.546 1.154 . . . . 72.400000000000006 110.348 179.97 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.479 ' CD ' ' HA ' ' A' ' 12' ' ' GLU . 34.0 pttt -76.55 -40.3 50.21 Favored 'General case' 0 C--N 1.323 -0.566 0 O-C-N 124.512 1.132 . . . . 63.020000000000003 109.27 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -74.81 -27.92 60.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.57 1.169 . . . . 52.130000000000003 109.352 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.725 ' HE2' HH21 ' A' ' 20' ' ' ARG . 36.7 tp10 -71.7 -42.59 67.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 64.25 110.261 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.521 ' HB3' ' CD1' ' A' ' 104' ' ' PHE . 60.2 p -73.58 -8.61 56.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.148 . . . . 73.400000000000006 110.027 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -81.45 -28.41 34.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 72.310000000000002 110.285 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.725 HH21 ' HE2' ' A' ' 17' ' ' GLU . 23.0 ptt180 -101.81 -29.8 11.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.412 1.07 . . . . 74.030000000000001 110.275 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 6.7 mt -62.34 -20.89 25.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.112 . . . . 70.129999999999995 109.251 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.425 ' O ' ' HB3' ' A' ' 26' ' ' PRO . . . -71.98 -20.11 61.78 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.486 1.116 . . . . 53.32 109.263 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -101.74 -36.56 8.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.585 1.178 . . . . 74.040000000000006 109.297 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.511 ' HB3' ' CD2' ' A' ' 25' ' ' PHE . 0.2 OUTLIER -71.01 -53.1 15.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.459 1.099 . . . . 72.200000000000003 110.224 -179.929 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.511 ' CD2' ' HB3' ' A' ' 24' ' ' ARG . 4.7 m-85 -136.32 81.84 36.28 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.477 1.111 . . . . 64.319999999999993 110.995 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.425 ' HB3' ' O ' ' A' ' 22' ' ' ALA . 18.3 Cg_endo -74.93 -8.18 19.91 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.392 1.733 . . . . 74.200000000000003 110.91 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 7.5 p30 -107.42 27.29 9.25 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.421 1.075 . . . . 72.439999999999998 109.285 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.544 ' HB3' HD11 ' A' ' 50' ' ' LEU . 19.8 mmt-85 -113.85 178.1 4.4 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.477 1.111 . . . . 75.129999999999995 110.232 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.585 HG23 ' CB ' ' A' ' 95' ' ' TYR . 37.4 mm -147.64 93.02 4.65 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.351 1.032 . . . . 73.209999999999994 109.292 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.585 ' HD2' ' CE2' ' A' ' 95' ' ' TYR . 18.4 Cg_endo -75.04 119.72 5.76 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.554 1.818 . . . . 64.019999999999996 110.982 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.788 HG21 ' HB3' ' A' ' 105' ' ' LEU . 3.8 p -137.6 148.5 25.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.456 1.097 . . . . 75.340000000000003 109.39 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.564 HG23 ' O ' ' A' ' 47' ' ' ARG . 40.4 mm -113.1 105.53 18.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.142 . . . . 65.239999999999995 109.263 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.453 ' SG ' HG23 ' A' ' 107' ' ' VAL . 2.6 t -93.31 128.01 39.15 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.482 1.114 . . . . 43.200000000000003 108.3 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.458 ' O ' ' CD1' ' A' ' 109' ' ' TYR . 5.8 tp10 -125.77 166.04 17.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 74.129999999999995 110.308 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.551 ' HG2' ' CE2' ' A' ' 109' ' ' TYR . 0.0 OUTLIER -103.99 127.61 51.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.567 1.167 . . . . 74.109999999999999 109.292 179.957 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.418 ' N ' ' HD2' ' A' ' 35' ' ' LYS . . . -70.91 138.42 50.1 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.57 1.169 . . . . 61.539999999999999 109.274 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.453 ' CG ' ' N ' ' A' ' 38' ' ' LYS . 11.7 pt-20 -62.08 -49.28 76.57 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.537 1.148 . . . . 72.099999999999994 110.352 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.453 ' N ' ' CG ' ' A' ' 37' ' ' GLU . 0.1 OUTLIER -44.92 -50.93 10.21 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.543 1.152 . . . . 70.129999999999995 109.274 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.515 ' HG ' ' HD3' ' A' ' 35' ' ' LYS . 0.3 OUTLIER -42.69 164.03 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.549 1.155 . . . . 61.219999999999999 110.039 179.96 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 68.3 m-20 -117.54 1.62 12.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.412 1.07 . . . . 65.120000000000005 109.313 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.6 HD12 ' CE2' ' A' ' 109' ' ' TYR . 0.1 OUTLIER -75.26 166.2 47.39 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.137 . . . . 75.430000000000007 109.35 179.916 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . 0.448 ' O ' HG21 ' A' ' 68' ' ' ILE . 18.3 Cg_endo -75.0 127.82 10.99 Favored 'Trans proline' 0 C--N 1.358 1.077 0 O-C-N 124.528 1.804 . . . . 64.400000000000006 110.942 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 7.7 tt0 -62.4 156.37 22.78 Favored 'General case' 0 C--N 1.327 -0.404 0 O-C-N 124.415 1.072 . . . . 74.430000000000007 110.301 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.51 ' HB ' ' HH ' ' A' ' 109' ' ' TYR . 16.5 tt -85.4 157.94 3.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.563 1.164 . . . . 73.530000000000001 109.284 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -62.22 -48.41 80.12 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.559 1.162 . . . . 74.129999999999995 109.263 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.832 ' HA ' ' HG1' ' A' ' 4' ' ' THR . 0.0 OUTLIER -143.3 165.49 27.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.566 1.166 . . . . 72.310000000000002 109.266 179.974 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.564 ' O ' HG23 ' A' ' 32' ' ' ILE . 3.5 ptm180 -111.46 94.88 5.19 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.636 1.21 . . . . 73.310000000000002 110.361 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.557 ' HD3' ' CE1' ' A' ' 5' ' ' PHE . 15.0 tptp -166.65 127.89 1.7 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 65.409999999999997 109.303 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.698 ' CE2' ' CD1' ' A' ' 64' ' ' ILE . 44.8 m-85 -149.43 104.14 3.35 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.465 1.103 . . . . 72.340000000000003 110.996 -179.899 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.544 HD11 ' HB3' ' A' ' 28' ' ' ARG . 17.9 tp -98.6 77.26 2.28 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.504 1.127 . . . . 74.329999999999998 109.318 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 1.017 HG12 ' HB2' ' B' ' 630' ' ' ALA . 30.2 m -82.35 157.7 67.49 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.463 1.102 . . . . 63.399999999999999 109.245 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.06 176.76 9.51 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.477 1.777 . . . . 72.439999999999998 110.977 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -89.65 18.31 5.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 72.450000000000003 109.281 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -117.42 -38.05 3.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.449 1.093 . . . . 72.409999999999997 109.361 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.478 HD22 ' HA ' ' A' ' 60' ' ' PHE . 0.4 OUTLIER -56.43 135.58 54.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 73.349999999999994 109.276 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 1.103 HG23 ' CD2' ' A' ' 90' ' ' LEU . 10.6 p -95.18 169.67 9.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 33.539999999999999 110.406 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.417 ' HB ' ' O ' ' A' ' 86' ' ' PRO . 2.4 t -59.83 -47.85 89.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 60.439999999999998 109.296 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -61.27 -30.96 75.41 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.442 1.089 . . . . 73.230000000000004 110.982 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 9.2 mt-30 -82.35 -21.12 36.11 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.519 0.776 . . . . 74.530000000000001 110.272 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.478 ' HA ' HD22 ' A' ' 55' ' ' LEU . 20.7 t80 -76.14 -41.98 48.29 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.501 1.126 . . . . 73.030000000000001 110.952 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.861 HG13 ' CG2' ' A' ' 76' ' ' ILE . 48.0 t -51.53 -38.05 20.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 73.010000000000005 109.311 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.524 ' CZ ' ' HE2' ' A' ' 66' ' ' LYS . 0.7 OUTLIER -55.19 -38.85 68.89 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.536 1.148 . . . . 74.540000000000006 110.956 -179.977 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.756 HG22 ' HA ' ' B' ' 630' ' ' ALA . 64.1 t -65.0 -38.14 82.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.123 . . . . 65.319999999999993 109.312 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.698 ' CD1' ' CE2' ' A' ' 49' ' ' TYR . 6.4 mm -69.04 -39.8 80.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.123 . . . . 74.049999999999997 109.361 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.445 ' CD ' ' HB3' ' A' ' 70' ' ' LEU . 5.9 tpp85 -72.84 -3.78 27.65 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.424 1.077 . . . . 63.25 110.387 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.524 ' HE2' ' CZ ' ' A' ' 62' ' ' TYR . 0.7 OUTLIER -94.14 -42.73 8.83 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.395 1.059 . . . . 71.450000000000003 109.25 -179.91 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -60.55 -36.95 79.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.582 1.176 . . . . 74.150000000000006 110.297 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.548 HD12 ' CD1' ' A' ' 76' ' ' ILE . 2.7 pt -105.57 4.03 10.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.557 1.161 . . . . 74.209999999999994 109.348 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' MET . . . . . 0.405 ' C ' ' O ' ' A' ' 68' ' ' ILE . 4.9 ptp 37.47 33.55 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.142 . . . . 64.340000000000003 111.006 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.479 HD23 HD13 ' A' ' 68' ' ' ILE . 5.4 tp -54.24 140.48 53.96 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 62.43 109.288 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.95 170.93 19.31 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.57 1.826 . . . . 75.310000000000002 111.026 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 -2.15 12.16 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.554 1.818 . . . . 73.310000000000002 111.051 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -87.96 2.13 52.44 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.504 1.128 . . . . 75.109999999999999 110.311 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 11.1 mttm -121.38 -179.09 3.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 74.239999999999995 109.284 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -141.67 149.61 40.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 54.009999999999998 109.272 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.861 ' CG2' HG13 ' A' ' 61' ' ' VAL . 2.6 tt -141.83 124.91 15.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.576 1.173 . . . . 71.129999999999995 109.326 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . 0.809 ' HB3' HD22 ' A' ' 84' ' ' LEU . 99.0 m-85 -119.87 134.32 55.28 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.553 1.158 . . . . 70.230000000000004 111.013 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.683 ' CG2' HG22 ' A' ' 107' ' ' VAL . 3.2 mm -86.85 114.22 25.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 70.040000000000006 109.347 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -104.47 118.74 37.35 Favored 'General case' 0 C--N 1.323 -0.556 0 O-C-N 124.6 1.188 . . . . 63.119999999999997 110.974 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.92 HG23 ' ND2' ' A' ' 81' ' ' ASN . 1.7 p -125.9 105.22 14.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.409 1.068 . . . . 75.209999999999994 109.312 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . 0.92 ' ND2' HG23 ' A' ' 80' ' ' VAL . 3.3 m-20 74.71 31.87 0.91 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.458 1.099 . . . . 74.420000000000002 109.297 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 69.43 13.16 8.4 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.494 1.121 . . . . 75.129999999999995 109.285 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' THR . . . . . 0.694 HG23 ' O ' ' A' ' 80' ' ' VAL . 0.6 OUTLIER -119.5 141.58 49.06 Favored 'General case' 0 C--N 1.327 -0.408 0 O-C-N 124.526 1.141 . . . . 74.25 110.387 179.951 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.809 HD22 ' HB3' ' A' ' 77' ' ' PHE . 1.3 mt -103.59 110.33 63.66 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 64.219999999999999 109.25 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . 0.412 ' HG3' HG11 ' A' ' 80' ' ' VAL . 18.4 Cg_endo -75.12 156.83 42.51 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.52 1.8 . . . . 73.140000000000001 111.029 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . 0.675 ' HD2' ' HB2' ' A' ' 89' ' ' ALA . 18.3 Cg_endo -75.0 175.59 11.04 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.491 1.785 . . . . 70.439999999999998 110.99 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 20.8 p -77.43 -35.36 54.14 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.478 1.111 . . . . 62.409999999999997 110.371 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -77.19 1.48 18.27 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.542 1.152 . . . . 71.439999999999998 109.306 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.9 ' HB1' HD12 ' A' ' 94' ' ' ILE . . . -75.92 61.21 1.45 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 73.430000000000007 109.31 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 1.103 ' CD2' HG23 ' A' ' 56' ' ' THR . 20.8 mt -27.65 118.79 0.1 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.55 1.156 . . . . 71.209999999999994 109.273 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' MET . . . . . 0.46 ' HB3' ' HE1' ' A' ' 91' ' ' MET . 48.7 mmm -39.68 -28.01 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.148 . . . . 71.209999999999994 111.004 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' SER . . . . . 0.437 ' N ' ' O ' ' A' ' 90' ' ' LEU . 18.0 t -65.56 -49.28 69.47 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.464 1.102 . . . . 61.219999999999999 110.015 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . 0.458 ' N ' ' O ' ' A' ' 90' ' ' LEU . . . -73.21 -8.3 55.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 70.439999999999998 109.286 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.9 HD12 ' HB1' ' A' ' 89' ' ' ALA . 13.2 mm -88.18 -52.1 11.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.128 . . . . 61.530000000000001 109.217 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . 0.732 ' CD2' HD21 ' A' ' 105' ' ' LEU . 5.2 t80 -69.28 -6.33 28.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.552 1.157 . . . . 52.140000000000001 110.952 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . 0.435 ' O ' ' CG ' ' A' ' 96' ' ' GLN . 3.7 tt0 -102.82 -11.68 18.13 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.496 1.122 . . . . 73.329999999999998 110.321 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -113.59 -18.24 11.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 70.129999999999995 110.3 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . 0.521 ' ND1' HD22 ' A' ' 81' ' ' ASN . 60.0 m-70 -119.65 19.15 12.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 62.030000000000001 109.572 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.51 ' HB3' ' O ' ' A' ' 95' ' ' TYR . 0.1 OUTLIER -58.75 158.11 8.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.117 . . . . 60.420000000000002 109.316 179.928 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . 0.436 ' O ' ' N ' ' A' ' 103' ' ' GLY . 0.3 OUTLIER -127.76 170.57 12.6 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.424 1.078 . . . . 64.510000000000005 109.303 179.933 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 30.9 mtmt -42.75 -65.68 0.45 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 74.239999999999995 109.292 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -52.81 -28.45 22.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.444 1.09 . . . . 52.350000000000001 109.359 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . 0.436 ' N ' ' O ' ' A' ' 100' ' ' ASP . . . 104.98 -38.6 3.21 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.588 1.18 . . . . 42.140000000000001 110.934 179.882 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . 0.521 ' CD1' ' HB3' ' A' ' 18' ' ' SER . 2.9 m-85 -54.96 144.68 22.38 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.517 0.775 . . . . 73.230000000000004 111.048 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.788 ' HB3' HG21 ' A' ' 31' ' ' VAL . 0.2 OUTLIER -85.89 155.34 20.98 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.568 1.167 . . . . 74.420000000000002 109.248 -179.961 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . 0.515 ' OH ' ' CZ ' ' A' ' 14' ' ' ARG . 59.9 m-85 -146.21 109.13 4.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.55 1.156 . . . . 64.400000000000006 111.017 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . 0.75 HG21 ' N ' ' A' ' 108' ' ' THR . 1.3 m -119.54 -176.35 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.11 . . . . 71.319999999999993 109.295 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' THR . . . . . 0.75 ' N ' HG21 ' A' ' 107' ' ' VAL . 1.2 m -153.28 113.52 3.97 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.552 1.157 . . . . 74.209999999999994 110.337 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' TYR . . . . . 0.765 ' CD2' HD12 ' A' ' 76' ' ' ILE . 29.9 p90 -94.41 131.73 39.78 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.465 1.103 . . . . 63.539999999999999 111.008 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' SER . . . . . 0.413 ' HB3' ' HB3' ' A' ' 36' ' ' ALA . 0.1 OUTLIER -132.6 166.5 21.97 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.431 1.082 . . . . 73.5 109.981 179.974 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . 0.439 ' HA3' ' CG2' ' A' ' 41' ' ' ILE . . . -83.95 2.94 86.96 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.581 1.176 . . . . 54.340000000000003 111.024 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -121.39 156.03 33.53 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.436 0.727 . . . . 65.25 110.35 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . 0.558 ' ND2' HD13 ' A' ' 84' ' ' LEU . 16.2 t-20 -103.42 -1.22 28.9 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.562 1.164 . . . . 71.129999999999995 109.241 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' THR . . . . . 0.522 HG23 ' H ' ' A' ' 115' ' ' PHE . 4.2 m -93.59 178.5 5.68 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.509 1.131 . . . . 73.219999999999999 110.446 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . 0.522 ' H ' HG23 ' A' ' 114' ' ' THR . 1.3 p90 -125.55 97.91 5.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 74.329999999999998 111.0 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.051 0 O-C-N 124.44 1.087 . . . . 63.520000000000003 110.997 179.957 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 597' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.973 0 N-CA-C 110.978 -0.849 . . . . 75.340000000000003 110.978 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 598' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 151.31 39.6 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.46 1.769 . . . . 62.549999999999997 111.018 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 599' ' ' HIS . . . . . . . . . . . . . 53.9 p-80 -149.54 160.32 43.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.423 1.077 . . . . 61.329999999999998 109.541 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 600' ' ' MET . . . . . . . . . . . . . 1.9 ptt? -144.06 138.29 28.19 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.51 1.131 . . . . 71.310000000000002 111.063 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 601' ' ' ILE . . . . . 0.457 HG22 ' N ' ' B' ' 602' ' ' SER . 23.9 mm -142.41 161.57 19.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.54 1.15 . . . . 72.439999999999998 109.298 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 602' ' ' SER . . . . . 0.457 ' N ' HG22 ' B' ' 601' ' ' ILE . 1.8 m -155.99 167.91 28.91 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.461 1.101 . . . . 55.439999999999998 109.997 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 603' ' ' GLY . . . . . . . . . . . . . . . -130.16 56.62 0.74 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.472 1.107 . . . . 71.310000000000002 110.957 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 604' ' ' LEU . . . . . . . . . . . . . 1.2 pt? -134.63 -173.98 3.45 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.55 0.794 . . . . 63.329999999999998 109.349 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 605' ' ' SER . . . . . 0.45 ' O ' HG21 ' B' ' 606' ' ' VAL . 2.2 m -76.42 62.09 1.8 Allowed 'General case' 0 C--N 1.323 -0.565 0 O-C-N 124.46 1.1 . . . . 73.049999999999997 110.09 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 606' ' ' VAL . . . . . 0.474 HG12 ' O ' ' B' ' 607' ' ' ILE . 36.7 t -152.36 156.47 5.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 74.109999999999999 109.28 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 607' ' ' ILE . . . . . 0.731 HG22 ' H ' ' B' ' 608' ' ' LYS . 0.7 OUTLIER -96.3 179.1 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.427 1.08 . . . . 71.450000000000003 109.22 -179.923 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 608' ' ' LYS . . . . . 0.731 ' H ' HG22 ' B' ' 607' ' ' ILE . 0.0 OUTLIER -129.84 103.68 6.95 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.394 1.059 . . . . 71.519999999999996 109.279 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 609' ' ' GLN . . . . . 0.43 ' HG2' ' N ' ' A' ' 10' ' ' PRO . 1.9 mp0 -114.85 121.9 44.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.585 1.178 . . . . 75.510000000000005 110.303 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 610' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -64.29 173.36 2.05 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.554 1.159 . . . . 74.310000000000002 110.324 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 611' ' ' VAL . . . . . 0.596 HG23 ' OE1' ' A' ' 8' ' ' GLU . 41.8 t -133.56 133.61 57.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.451 1.094 . . . . 74.530000000000001 109.36 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 612' ' ' GLU . . . . . 0.877 ' H ' ' HE2' ' A' ' 8' ' ' GLU . 1.0 OUTLIER -113.67 -93.58 0.47 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.579 1.174 . . . . 72.219999999999999 110.29 180.0 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 613' ' ' ARG . . . . . 0.742 ' HG2' HD21 ' B' ' 614' ' ' LEU . 12.7 ptp180 -115.05 -32.26 5.78 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.481 1.113 . . . . 71.310000000000002 110.287 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 614' ' ' LEU . . . . . 0.868 HD23 ' CZ3' ' B' ' 621' ' ' TRP . 0.4 OUTLIER -101.25 -171.79 2.05 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.622 1.202 . . . . 75.010000000000005 109.344 179.932 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 615' ' ' GLY . . . . . 0.465 ' HA2' ' CG ' ' A' ' 8' ' ' GLU . . . 162.38 -69.04 0.23 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.484 1.115 . . . . 55.229999999999997 111.046 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 616' ' ' ASN . . . . . 0.411 ' OD1' ' N ' ' B' ' 616' ' ' ASN . 7.1 p-10 -40.39 -50.95 2.86 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.5 0.765 . . . . 73.319999999999993 109.306 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 617' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -145.79 172.11 13.8 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.48 1.113 . . . . 64.209999999999994 109.35 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 618' ' ' VAL . . . . . 0.491 HG12 ' CZ ' ' A' ' 5' ' ' PHE . 3.6 m -66.39 -34.67 71.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.552 1.158 . . . . 73.239999999999995 109.304 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 619' ' ' PHE . . . . . . . . . . . . . 17.0 m-30 -117.2 86.59 2.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 72.230000000000004 111.042 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 620' ' ' GLU . . . . . . . . . . . . . 2.4 pp20? -118.87 -6.96 10.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 53.420000000000002 110.333 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 621' ' ' TRP . . . . . 0.868 ' CZ3' HD23 ' B' ' 614' ' ' LEU . 2.8 p90 -108.85 164.92 11.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.556 1.16 . . . . 73.319999999999993 108.02 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 622' ' ' GLU . . . . . 0.569 ' O ' ' CD1' ' B' ' 621' ' ' TRP . 20.3 tp10 -42.0 157.73 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.458 1.099 . . . . 64.150000000000006 110.279 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 623' ' ' ASP . . . . . 0.431 ' N ' ' HG3' ' B' ' 622' ' ' GLU . 11.5 m-20 61.1 61.62 1.56 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.553 1.158 . . . . 72.319999999999993 109.374 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 624' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -56.4 -79.5 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 63.210000000000001 109.28 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 625' ' ' GLU . . . . . 0.405 ' O ' ' C ' ' B' ' 626' ' ' SER . 4.0 pt-20 -98.24 7.52 46.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.42 1.075 . . . . 75.099999999999994 110.307 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 626' ' ' SER . . . . . 0.405 ' C ' ' O ' ' B' ' 625' ' ' GLU . 0.7 OUTLIER -37.8 154.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.426 1.079 . . . . 72.439999999999998 110.079 179.952 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 627' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -89.06 15.7 8.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.113 . . . . 61.450000000000003 109.303 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 628' ' ' GLU . . . . . 0.421 ' O ' HG13 ' A' ' 63' ' ' VAL . 13.6 pt-20 -60.34 -28.06 67.86 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.511 1.132 . . . . 70.040000000000006 110.258 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 629' ' ' ILE . . . . . 0.592 ' C ' HG11 ' A' ' 63' ' ' VAL . 0.8 OUTLIER -94.65 14.26 2.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 O-C-N 124.577 1.173 . . . . 61.409999999999997 109.312 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 630' ' ' ALA . . . . . 1.017 ' HB2' HG12 ' A' ' 51' ' ' VAL . . . . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.402 1.064 . . . . 73.25 109.357 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 0' ' ' HIS . . . . . . . . . . . . . 89.1 m-70 . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 109.516 -0.55 . . . . 72.510000000000005 109.516 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.7 ptp -152.85 -176.81 5.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.599 1.187 . . . . 71.219999999999999 111.002 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.445 ' HZ1' ' HE2' ' A' ' 43' ' ' GLU . 3.4 mtpm? -132.42 -46.22 0.9 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.527 1.142 . . . . 64.099999999999994 109.304 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.435 ' HA ' ' NH1' ' A' ' 47' ' ' ARG . 96.3 p -80.95 137.37 36.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.424 1.077 . . . . 61.210000000000001 109.91 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.718 ' HG1' ' HA ' ' A' ' 46' ' ' LYS . 71.0 p -120.03 -75.33 0.59 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.563 1.165 . . . . 74.439999999999998 110.394 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.603 ' CE1' ' OH ' ' A' ' 9' ' ' TYR . 8.5 t80 -60.85 -16.63 43.45 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.55 1.156 . . . . 75.109999999999999 110.993 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.416 ' CB ' ' HD3' ' A' ' 47' ' ' ARG . 27.8 ttpp -96.77 -24.47 15.92 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.532 1.145 . . . . 72.109999999999999 109.286 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.401 ' OG ' ' OE1' ' B' ' 610' ' ' GLU . 1.8 t -97.68 3.62 50.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 63.350000000000001 109.941 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.821 ' HE2' ' HA ' ' B' ' 611' ' ' VAL . 1.6 mm-40 -78.01 -10.69 59.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.148 . . . . 75.049999999999997 110.282 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.812 ' CE2' HG12 ' B' ' 618' ' ' VAL . 0.8 OUTLIER -170.12 167.68 4.71 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.495 1.122 . . . . 62.130000000000003 111.005 -179.985 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 172.14 16.93 Favored 'Trans proline' 0 C--N 1.361 1.237 0 O-C-N 124.444 1.76 . . . . 44.439999999999998 111.009 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.591 ' CE2' ' HB3' ' A' ' 102' ' ' ASP . 0.9 OUTLIER -63.15 -44.02 96.68 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.466 1.104 . . . . 73.120000000000005 110.986 179.953 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.425 ' HA ' ' CD ' ' A' ' 15' ' ' LYS . 38.5 mt-10 -58.84 -15.27 11.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 72.25 110.24 -179.905 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 9.5 tppt? -94.75 -52.72 4.15 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.44 1.087 . . . . 72.310000000000002 109.357 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.468 ' HB3' ' CZ ' ' A' ' 14' ' ' ARG . 1.7 tmm_? -63.61 -19.72 65.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 72.400000000000006 110.26 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.555 ' HD3' ' CE1' ' A' ' 11' ' ' PHE . 48.0 pttt -77.06 -43.96 32.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.456 1.097 . . . . 63.020000000000003 109.297 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -71.16 -13.52 61.97 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.577 1.173 . . . . 52.130000000000003 109.333 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 39.1 tp10 -76.69 -41.06 46.8 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.439 1.087 . . . . 64.25 110.334 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.465 ' HB3' ' CD2' ' A' ' 104' ' ' PHE . 0.6 OUTLIER -76.58 -17.99 58.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 73.400000000000006 109.982 179.976 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 20.5 mm-40 -65.41 -58.03 6.86 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.593 1.183 . . . . 72.310000000000002 110.337 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 3.8 ptt180 -63.65 -26.28 68.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 74.030000000000001 110.305 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 5.6 mt -65.82 -24.32 34.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.104 . . . . 70.129999999999995 109.232 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -71.5 -27.51 63.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 53.32 109.218 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 39.1 t0 -88.37 -48.79 7.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 74.040000000000006 109.329 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.514 ' HB3' ' CD2' ' A' ' 25' ' ' PHE . 1.8 ttp85 -61.23 -44.27 97.54 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.467 1.104 . . . . 72.200000000000003 110.302 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.514 ' CD2' ' HB3' ' A' ' 24' ' ' ARG . 9.5 m-85 -142.73 88.29 8.64 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.445 1.091 . . . . 64.319999999999993 111.051 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 -25.75 11.68 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.483 1.781 . . . . 74.200000000000003 111.066 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.485 ' N ' HD21 ' A' ' 27' ' ' ASN . 0.9 OUTLIER -97.24 43.01 1.08 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.399 1.062 . . . . 72.439999999999998 109.311 -179.984 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.45 ' CG ' ' HB3' ' A' ' 25' ' ' PHE . 0.1 OUTLIER -128.35 168.25 15.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 75.129999999999995 110.358 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.566 HG23 ' CB ' ' A' ' 95' ' ' TYR . 11.7 mm -127.38 99.8 27.01 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 73.209999999999994 109.22 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.642 ' HA ' HD23 ' A' ' 50' ' ' LEU . 18.4 Cg_endo -75.02 109.74 2.99 Favored 'Trans proline' 0 C--N 1.361 1.224 0 O-C-N 124.423 1.749 . . . . 64.019999999999996 110.982 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.642 ' O ' HD11 ' A' ' 32' ' ' ILE . 1.5 m -129.4 168.12 23.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.559 1.162 . . . . 75.340000000000003 109.281 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.755 HD12 ' CD1' ' A' ' 104' ' ' PHE . 3.8 mm -136.43 99.6 2.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.451 1.094 . . . . 65.239999999999995 109.191 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 1.057 ' HG ' HD13 ' A' ' 64' ' ' ILE . 3.7 t -64.31 135.55 56.31 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.538 1.149 . . . . 43.200000000000003 108.347 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.871 ' CG ' HH21 ' A' ' 47' ' ' ARG . 2.4 tt0 -138.75 166.69 23.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.113 . . . . 74.129999999999995 110.236 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.48 ' HB3' ' HZ3' ' A' ' 35' ' ' LYS . 0.0 OUTLIER -118.26 136.87 53.42 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.419 1.074 . . . . 74.109999999999999 109.336 179.922 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -82.94 133.99 35.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 61.539999999999999 109.356 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.466 ' CG ' ' N ' ' A' ' 38' ' ' LYS . 11.5 pt-20 -61.99 -49.08 77.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 72.099999999999994 110.365 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.466 ' N ' ' CG ' ' A' ' 37' ' ' GLU . 0.0 OUTLIER -44.92 -30.41 1.0 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.419 1.074 . . . . 70.129999999999995 109.205 -179.98 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.651 ' HG ' ' H ' ' A' ' 111' ' ' GLY . 0.8 OUTLIER -65.87 171.74 4.15 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.136 . . . . 61.219999999999999 109.942 -179.974 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 19.4 t0 -127.21 18.67 7.03 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.455 1.097 . . . . 65.120000000000005 109.222 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.592 HD12 ' CE2' ' A' ' 109' ' ' TYR . 0.1 OUTLIER -94.12 164.14 21.29 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.431 1.082 . . . . 75.430000000000007 109.312 -179.947 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . 0.503 ' O ' HG21 ' A' ' 68' ' ' ILE . 18.2 Cg_endo -75.12 130.47 13.18 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.504 1.792 . . . . 64.400000000000006 111.006 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.445 ' HE2' ' HZ1' ' A' ' 2' ' ' LYS . 15.5 tt0 -71.46 156.58 39.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 74.430000000000007 110.252 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.695 HD12 ' HG3' ' A' ' 67' ' ' ARG . 13.8 tt -73.59 170.72 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.554 1.159 . . . . 73.530000000000001 109.405 179.904 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . 0.4 ' H ' ' CG1' ' A' ' 44' ' ' ILE . 39.1 m-20 -76.17 -44.21 39.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 74.129999999999995 109.354 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.718 ' HA ' ' HG1' ' A' ' 4' ' ' THR . 0.0 OUTLIER -138.92 168.88 18.85 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 72.310000000000002 109.318 179.961 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.871 HH21 ' CG ' ' A' ' 34' ' ' GLU . 0.2 OUTLIER -119.28 92.16 3.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 73.310000000000002 110.332 -179.958 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.629 ' NZ ' HD21 ' A' ' 50' ' ' LEU . 17.5 tptt -167.89 113.47 0.69 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.644 1.215 . . . . 65.409999999999997 109.369 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.64 ' CE2' ' CD1' ' A' ' 64' ' ' ILE . 18.5 m-85 -137.46 121.72 18.09 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 72.340000000000003 110.965 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.642 HD23 ' HA ' ' A' ' 30' ' ' PRO . 0.5 OUTLIER -105.42 76.58 1.22 Allowed 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.484 1.115 . . . . 74.329999999999998 109.344 179.976 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.737 HG21 ' HD2' ' A' ' 52' ' ' PRO . 2.4 p -75.61 144.03 76.47 Favored Pre-proline 0 C--N 1.326 -0.423 0 O-C-N 124.419 1.075 . . . . 63.399999999999999 109.284 -179.903 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . 0.737 ' HD2' HG21 ' A' ' 51' ' ' VAL . 18.1 Cg_endo -75.01 174.89 12.0 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.506 1.793 . . . . 72.439999999999998 110.949 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.543 ' HB1' ' OG ' ' A' ' 92' ' ' SER . . . -89.64 19.16 4.81 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.592 1.182 . . . . 72.450000000000003 109.316 179.902 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -120.08 -38.72 2.9 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.478 1.111 . . . . 72.409999999999997 109.403 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.437 ' HG ' ' CB ' ' A' ' 59' ' ' GLN . 2.8 tp -60.66 132.84 55.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 73.349999999999994 109.231 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.444 HG23 ' CD1' ' A' ' 90' ' ' LEU . 1.3 p -89.59 -173.48 3.97 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.546 1.154 . . . . 33.539999999999999 110.355 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 2.4 t -73.56 -44.81 52.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.536 1.147 . . . . 60.439999999999998 109.299 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -70.22 -9.2 63.49 Favored Glycine 0 CA--C 1.529 0.921 0 O-C-N 124.411 1.069 . . . . 73.230000000000004 111.007 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . 0.437 ' CB ' ' HG ' ' A' ' 55' ' ' LEU . 6.7 mt-30 -95.68 -24.74 16.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.449 0.735 . . . . 74.530000000000001 110.27 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.646 ' CE2' HD12 ' A' ' 64' ' ' ILE . 44.1 t80 -77.77 -42.62 33.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.116 . . . . 73.030000000000001 111.006 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.689 HG23 HG12 ' A' ' 78' ' ' ILE . 95.6 t -47.91 -34.01 4.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 73.010000000000005 109.248 -179.917 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.555 ' CE1' ' HG3' ' A' ' 66' ' ' LYS . 0.2 OUTLIER -60.79 -38.85 86.7 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.557 1.161 . . . . 74.540000000000006 111.0 -179.98 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 1.019 HG22 ' C ' ' B' ' 630' ' ' ALA . 43.7 t -70.07 -43.47 79.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 65.319999999999993 109.329 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 1.057 HD13 ' HG ' ' A' ' 33' ' ' CYS . 3.8 mm -65.51 -33.88 66.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.547 1.154 . . . . 74.049999999999997 109.318 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.422 ' HE ' HG22 ' A' ' 76' ' ' ILE . 4.4 tpp85 -81.27 -3.25 51.88 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.455 1.097 . . . . 63.25 110.243 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.555 ' HG3' ' CE1' ' A' ' 62' ' ' TYR . 6.7 mmmt -90.52 -49.9 6.24 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.595 1.184 . . . . 71.450000000000003 109.297 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.695 ' HG3' HD12 ' A' ' 44' ' ' ILE . 5.5 mmp_? -50.17 -67.5 0.25 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 74.150000000000006 110.293 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.503 HG21 ' O ' ' A' ' 42' ' ' PRO . 5.7 pt -72.02 -6.23 7.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.128 . . . . 74.209999999999994 109.283 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' MET . . . . . 0.496 ' CG ' ' O ' ' A' ' 68' ' ' ILE . 5.2 ptp 42.73 44.04 3.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 64.340000000000003 110.98 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.463 HD12 ' HA ' ' A' ' 70' ' ' LEU . 5.2 tp -53.96 140.51 51.07 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 62.43 109.276 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 170.04 21.29 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.544 1.813 . . . . 75.310000000000002 110.937 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.12 -0.42 9.98 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.457 1.767 . . . . 73.310000000000002 111.012 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 18.3 pt-20 -92.62 2.92 56.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 75.109999999999999 110.311 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -125.87 -179.62 4.76 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.5 1.125 . . . . 74.239999999999995 109.356 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -139.36 160.88 38.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.563 1.165 . . . . 54.009999999999998 109.304 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.882 HD12 ' CD2' ' A' ' 109' ' ' TYR . 1.6 tt -150.98 135.78 9.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.562 1.164 . . . . 71.129999999999995 109.231 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . 0.707 ' HB3' HD11 ' A' ' 84' ' ' LEU . 94.8 m-85 -135.97 138.01 41.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 70.230000000000004 111.04 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.744 HG23 HG13 ' A' ' 107' ' ' VAL . 10.3 mm -84.1 135.4 24.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.557 1.161 . . . . 70.040000000000006 109.376 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . 0.488 ' CZ ' HD13 ' A' ' 84' ' ' LEU . 3.9 m-85 -127.2 119.99 27.71 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.433 1.083 . . . . 63.119999999999997 111.0 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.573 ' O ' HG23 ' A' ' 83' ' ' THR . 1.7 t -119.15 109.45 26.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.464 1.102 . . . . 75.209999999999994 109.38 179.888 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . 0.614 HD22 ' ND1' ' A' ' 98' ' ' HIS . 2.3 m-80 71.95 19.46 4.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.106 . . . . 74.420000000000002 109.24 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . 0.517 ' CB ' ' O ' ' A' ' 81' ' ' ASN . 3.9 m-20 82.78 23.42 0.17 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.411 1.069 . . . . 75.129999999999995 109.315 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' THR . . . . . 0.573 HG23 ' O ' ' A' ' 80' ' ' VAL . 0.7 OUTLIER -131.09 133.64 45.84 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.62 1.2 . . . . 74.25 110.375 179.987 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.707 HD11 ' HB3' ' A' ' 77' ' ' PHE . 0.2 OUTLIER -92.07 112.1 53.28 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 64.219999999999999 109.354 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 166.75 28.56 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.524 1.802 . . . . 73.140000000000001 111.043 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . 0.919 ' HG2' ' HB2' ' A' ' 89' ' ' ALA . 18.3 Cg_endo -75.04 -167.41 0.42 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.478 1.778 . . . . 70.439999999999998 111.017 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 2.8 p -97.48 -37.96 9.78 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.476 1.11 . . . . 62.409999999999997 110.351 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -82.42 6.77 16.13 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 71.439999999999998 109.307 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 1.041 ' HB1' HD12 ' A' ' 94' ' ' ILE . . . -76.11 61.65 1.59 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.529 1.143 . . . . 73.430000000000007 109.335 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.589 ' C ' ' O ' ' A' ' 89' ' ' ALA . 0.4 OUTLIER -24.48 122.4 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.521 1.138 . . . . 71.209999999999994 109.239 -179.959 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' MET . . . . . 0.477 ' HB3' ' HE1' ' A' ' 91' ' ' MET . 41.5 mmm -53.55 -17.94 2.47 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.464 1.103 . . . . 71.209999999999994 110.984 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' SER . . . . . 0.543 ' OG ' ' HB1' ' A' ' 53' ' ' ALA . 5.3 t -72.92 -39.31 66.4 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.447 1.092 . . . . 61.219999999999999 109.987 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -85.28 -9.91 57.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 70.439999999999998 109.315 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 1.041 HD12 ' HB1' ' A' ' 89' ' ' ALA . 23.3 mm -83.88 -46.22 18.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.569 1.168 . . . . 61.530000000000001 109.262 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . 0.6 ' CE2' ' HD2' ' A' ' 30' ' ' PRO . 14.5 t80 -70.52 -4.24 21.92 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.464 1.102 . . . . 52.140000000000001 111.023 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -100.92 -12.44 18.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 73.329999999999998 110.272 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -118.75 -8.18 10.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.457 1.098 . . . . 70.129999999999995 110.25 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . 0.614 ' ND1' HD22 ' A' ' 81' ' ' ASN . 87.2 m-70 -129.45 18.07 5.87 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 62.030000000000001 109.635 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.511 ' HB3' ' O ' ' A' ' 95' ' ' TYR . 0.0 OUTLIER -54.64 174.0 0.07 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.422 1.077 . . . . 60.420000000000002 109.264 -179.944 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -137.06 166.07 24.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 64.510000000000005 109.26 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 19.1 mtmm -58.85 -46.31 88.03 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.45 1.094 . . . . 74.239999999999995 109.319 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . 0.591 ' HB3' ' CE2' ' A' ' 11' ' ' PHE . 0.4 OUTLIER -70.09 -8.28 48.22 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.495 1.122 . . . . 52.350000000000001 109.322 179.944 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 87.73 -39.68 3.1 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.538 1.149 . . . . 42.140000000000001 110.954 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . 0.755 ' CD1' HD12 ' A' ' 32' ' ' ILE . 2.9 m-85 -65.08 130.04 41.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 0.781 . . . . 73.230000000000004 110.965 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.476 HD12 ' HA ' ' A' ' 105' ' ' LEU . 4.2 tp -71.27 167.7 18.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 74.420000000000002 109.261 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . 0.449 ' OH ' ' NH2' ' A' ' 14' ' ' ARG . 63.6 m-85 -141.91 88.76 2.14 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.59 1.181 . . . . 64.400000000000006 110.979 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . 0.744 HG13 HG23 ' A' ' 78' ' ' ILE . 2.1 t -90.98 163.45 2.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.552 1.158 . . . . 71.319999999999993 109.253 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' THR . . . . . 0.843 HG21 ' HB3' ' A' ' 34' ' ' GLU . 0.2 OUTLIER -152.56 108.59 3.36 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.114 . . . . 74.209999999999994 110.476 180.0 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' TYR . . . . . 0.882 ' CD2' HD12 ' A' ' 76' ' ' ILE . 37.4 p90 -95.07 138.79 32.32 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.132 . . . . 63.539999999999999 110.949 -179.909 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 28.8 t -137.1 154.18 50.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.461 1.101 . . . . 73.5 110.066 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . 0.651 ' H ' ' HG ' ' A' ' 39' ' ' SER . . . -81.14 5.13 67.9 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.512 1.132 . . . . 54.340000000000003 110.99 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -116.77 134.91 54.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 0.753 . . . . 65.25 110.326 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . 0.472 ' HB2' ' CE2' ' A' ' 77' ' ' PHE . 21.8 t-20 -91.84 16.3 11.17 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.467 1.105 . . . . 71.129999999999995 109.368 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' THR . . . . . 0.476 HG23 ' H ' ' A' ' 115' ' ' PHE . 10.8 m -107.74 174.87 5.69 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.566 1.167 . . . . 73.219999999999999 110.372 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . 0.476 ' H ' HG23 ' A' ' 114' ' ' THR . 2.1 p90 -122.66 97.53 5.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.56 1.163 . . . . 74.329999999999998 110.949 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.088 0 O-C-N 124.525 1.14 . . . . 63.520000000000003 110.926 -179.986 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 597' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 N-CA-C 110.914 -0.874 . . . . 75.340000000000003 110.914 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 598' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 113.95 3.91 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.392 1.733 . . . . 62.549999999999997 111.005 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 599' ' ' HIS . . . . . . . . . . . . . 9.3 p80 -146.79 160.07 42.71 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.337 1.023 . . . . 61.329999999999998 109.523 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 600' ' ' MET . . . . . . . . . . . . . 7.6 ttm -41.94 150.84 0.11 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.474 1.109 . . . . 71.310000000000002 110.888 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 601' ' ' ILE . . . . . 0.662 HG22 ' O ' ' B' ' 601' ' ' ILE . 4.8 mp -92.25 61.19 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.599 1.187 . . . . 72.439999999999998 109.25 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 602' ' ' SER . . . . . . . . . . . . . 69.0 m -73.24 -74.79 0.16 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.427 1.079 . . . . 55.439999999999998 109.971 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 603' ' ' GLY . . . . . 0.497 ' HA3' ' HZ1' ' B' ' 608' ' ' LYS . . . 46.74 87.17 0.01 OUTLIER Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.472 1.108 . . . . 71.310000000000002 111.038 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 604' ' ' LEU . . . . . . . . . . . . . 3.9 pp -49.33 -34.75 16.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 0.775 . . . . 63.329999999999998 109.275 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 605' ' ' SER . . . . . . . . . . . . . 17.2 p -67.97 -175.1 0.53 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.149 . . . . 73.049999999999997 110.015 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 606' ' ' VAL . . . . . . . . . . . . . 3.5 p -42.52 150.75 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 74.109999999999999 109.302 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 607' ' ' ILE . . . . . . . . . . . . . 4.3 mm -53.1 143.67 4.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.449 1.093 . . . . 71.450000000000003 109.282 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 608' ' ' LYS . . . . . 0.497 ' HZ1' ' HA3' ' B' ' 603' ' ' GLY . 0.0 OUTLIER -139.87 152.4 46.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.403 1.064 . . . . 71.519999999999996 109.308 -179.98 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 609' ' ' GLN . . . . . 0.445 ' CD ' ' N ' ' B' ' 609' ' ' GLN . 4.8 mp0 -120.74 147.61 45.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.585 1.178 . . . . 75.510000000000005 110.39 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 610' ' ' GLU . . . . . 0.557 ' O ' HG13 ' B' ' 611' ' ' VAL . 87.4 mt-10 -43.79 167.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.477 1.111 . . . . 74.310000000000002 110.345 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 611' ' ' VAL . . . . . 0.821 ' HA ' ' HE2' ' A' ' 8' ' ' GLU . 0.7 OUTLIER -156.79 111.55 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 74.530000000000001 109.204 -179.949 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 612' ' ' GLU . . . . . 0.604 ' HE2' ' HB ' ' A' ' 4' ' ' THR . 1.8 pt-20 -109.79 -56.2 2.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 72.219999999999999 110.331 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 613' ' ' ARG . . . . . . . . . . . . . 18.1 ptp180 -131.13 -43.29 1.06 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.437 1.086 . . . . 71.310000000000002 110.376 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 614' ' ' LEU . . . . . 0.711 HD23 ' O ' ' B' ' 618' ' ' VAL . 3.3 pp -109.9 -169.34 1.45 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.466 1.104 . . . . 75.010000000000005 109.272 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 615' ' ' GLY . . . . . 0.401 ' O ' ' C ' ' B' ' 616' ' ' ASN . . . -173.18 -111.65 0.27 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.546 1.154 . . . . 55.229999999999997 111.009 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 616' ' ' ASN . . . . . 0.419 ' ND2' ' OD2' ' B' ' 617' ' ' ASP . 0.5 OUTLIER -39.79 -70.68 0.1 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.521 0.777 . . . . 73.319999999999993 109.384 179.932 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 617' ' ' ASP . . . . . 0.438 ' C ' ' N ' ' B' ' 619' ' ' PHE . 0.3 OUTLIER -95.7 98.1 10.22 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.482 1.113 . . . . 64.209999999999994 109.282 179.939 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 618' ' ' VAL . . . . . 0.835 HG21 ' CD1' ' B' ' 619' ' ' PHE . 5.2 m -39.11 -31.12 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.45 1.094 . . . . 73.239999999999995 109.301 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 619' ' ' PHE . . . . . 0.835 ' CD1' HG21 ' B' ' 618' ' ' VAL . 7.7 m-30 -89.28 78.9 7.18 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.461 1.101 . . . . 72.230000000000004 110.948 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 620' ' ' GLU . . . . . 0.405 ' OE2' ' O ' ' B' ' 617' ' ' ASP . 6.0 pt-20 -140.71 49.54 1.69 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.554 1.159 . . . . 53.420000000000002 110.32 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 621' ' ' TRP . . . . . 0.66 ' CZ3' HD21 ' B' ' 614' ' ' LEU . 1.0 OUTLIER -142.46 -166.63 2.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 73.319999999999993 108.005 -179.96 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 622' ' ' GLU . . . . . 0.542 ' C ' ' O ' ' B' ' 621' ' ' TRP . 2.4 mm-40 -26.98 -81.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.104 . . . . 64.150000000000006 110.291 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 623' ' ' ASP . . . . . 0.531 ' O ' ' CB ' ' B' ' 626' ' ' SER . 3.6 m-20 -153.04 105.56 2.93 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 72.319999999999993 109.299 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 624' ' ' ASP . . . . . 0.651 ' CB ' ' CG ' ' B' ' 619' ' ' PHE . 2.1 p-10 -54.7 -47.5 73.61 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.44 1.088 . . . . 63.210000000000001 109.354 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 625' ' ' GLU . . . . . 0.401 ' O ' ' C ' ' B' ' 626' ' ' SER . 1.4 pt-20 -81.79 5.94 17.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.146 . . . . 75.099999999999994 110.294 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 626' ' ' SER . . . . . 0.834 ' HG ' ' CD ' ' B' ' 628' ' ' GLU . 12.9 t -38.37 156.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 72.439999999999998 110.046 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 627' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -86.76 7.3 27.42 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 61.450000000000003 109.328 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 628' ' ' GLU . . . . . 0.834 ' CD ' ' HG ' ' B' ' 626' ' ' SER . 4.9 pt-20 -96.59 -3.98 42.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.61 1.194 . . . . 70.040000000000006 110.382 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 629' ' ' ILE . . . . . 0.6 ' C ' HD13 ' B' ' 629' ' ' ILE . 1.2 pp -109.03 16.53 7.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 61.409999999999997 109.251 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 630' ' ' ALA . . . . . 1.019 ' C ' HG22 ' A' ' 63' ' ' VAL . . . . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.114 . . . . 73.25 109.342 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 0' ' ' HIS . . . . . . . . . . . . . 30.8 p-80 . . . . . 0 N--CA 1.452 -0.336 0 N-CA-C 109.677 -0.49 . . . . 72.510000000000005 109.677 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.477 ' HE3' ' HB3' ' A' ' 1' ' ' MET . 15.8 ptp -123.88 161.06 26.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 71.219999999999999 111.026 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 17.3 mtpt -127.69 -51.78 1.36 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.112 . . . . 64.099999999999994 109.342 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.434 ' OG ' ' NH1' ' A' ' 47' ' ' ARG . 4.3 m -90.5 148.09 22.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 61.210000000000001 109.94 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.703 ' HG1' ' HA ' ' A' ' 46' ' ' LYS . 61.5 p -132.03 -75.75 0.51 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.425 1.078 . . . . 74.439999999999998 110.399 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.573 ' CE2' ' HG2' ' A' ' 48' ' ' LYS . 9.5 t80 -55.26 -17.61 4.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.554 1.159 . . . . 75.109999999999999 111.017 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.46 ' HZ3' ' HB3' ' A' ' 6' ' ' LYS . 0.0 OUTLIER -100.13 -26.71 13.85 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.515 1.134 . . . . 72.109999999999999 109.368 179.956 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -87.12 4.95 40.17 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.365 1.041 . . . . 63.350000000000001 109.973 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.755 ' O ' HG12 ' B' ' 611' ' ' VAL . 1.4 tp10 -87.09 -37.15 17.66 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 75.049999999999997 110.279 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.564 ' CD2' ' HB3' ' A' ' 8' ' ' GLU . 0.4 OUTLIER -143.7 169.09 11.07 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.506 1.129 . . . . 62.130000000000003 110.974 -179.965 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 177.81 8.07 Favored 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.528 1.804 . . . . 44.439999999999998 111.079 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.455 ' CE2' ' HB3' ' A' ' 102' ' ' ASP . 2.0 t80 -62.07 -54.05 46.86 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.604 1.19 . . . . 73.120000000000005 110.991 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.435 ' O ' ' N ' ' A' ' 15' ' ' LYS . 29.3 mp0 -46.81 -55.34 8.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.13 . . . . 72.25 110.277 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.549 ' HZ1' ' HB2' ' A' ' 13' ' ' LYS . 0.1 OUTLIER -45.45 -31.41 1.72 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.396 1.06 . . . . 72.310000000000002 109.315 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.469 ' NH2' ' CZ ' ' A' ' 106' ' ' TYR . 14.8 mtp85 -84.39 -35.02 23.44 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.469 1.106 . . . . 72.400000000000006 110.229 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.435 ' N ' ' O ' ' A' ' 12' ' ' GLU . 9.3 pttt -62.48 -42.57 99.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.135 . . . . 63.020000000000003 109.348 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -68.38 -25.38 65.04 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.402 1.063 . . . . 52.130000000000003 109.315 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.401 ' C ' ' N ' ' A' ' 19' ' ' GLU . 28.0 tp10 -71.79 -68.24 0.47 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.385 1.053 . . . . 64.25 110.306 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 4.4 p -47.48 -24.6 0.86 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 73.400000000000006 110.006 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.401 ' N ' ' C ' ' A' ' 17' ' ' GLU . 6.1 mm-40 -63.28 -42.86 99.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 72.310000000000002 110.28 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 24.5 mtp180 -77.49 -36.11 52.99 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.509 1.13 . . . . 74.030000000000001 110.257 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 19.3 mt -60.62 -18.5 17.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.55 1.156 . . . . 70.129999999999995 109.285 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -74.36 -26.08 59.91 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.559 1.162 . . . . 53.32 109.331 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 63.1 t0 -94.97 -37.07 11.32 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.455 1.097 . . . . 74.040000000000006 109.27 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.535 ' HB3' ' CE2' ' A' ' 25' ' ' PHE . 6.8 mtp180 -68.31 -50.69 51.77 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.564 1.165 . . . . 72.200000000000003 110.312 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.535 ' CE2' ' HB3' ' A' ' 24' ' ' ARG . 3.2 m-85 -140.02 91.26 10.29 Favored Pre-proline 0 C--N 1.324 -0.528 0 O-C-N 124.598 1.186 . . . . 64.319999999999993 111.002 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 -29.61 8.14 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.485 1.782 . . . . 74.200000000000003 111.048 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.602 ' N ' HD21 ' A' ' 27' ' ' ASN . 0.9 OUTLIER -91.14 40.03 1.01 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 72.439999999999998 109.214 -179.959 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.432 ' HD3' ' HA ' ' A' ' 52' ' ' PRO . 12.5 mmt85 -125.25 171.26 10.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 75.129999999999995 110.32 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.544 HD13 ' HA ' ' A' ' 92' ' ' SER . 20.3 mm -138.55 96.73 9.55 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 73.209999999999994 109.276 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.568 ' HD2' ' CE2' ' A' ' 95' ' ' TYR . 18.1 Cg_endo -75.07 121.08 6.33 Favored 'Trans proline' 0 C--N 1.359 1.099 0 O-C-N 124.464 1.77 . . . . 64.019999999999996 110.965 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.531 HG13 HG23 ' A' ' 51' ' ' VAL . 0.9 OUTLIER -132.74 173.92 14.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.584 1.177 . . . . 75.340000000000003 109.251 -179.966 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.619 HG22 ' HB2' ' A' ' 47' ' ' ARG . 6.1 mm -136.1 98.5 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.467 1.105 . . . . 65.239999999999995 109.282 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.835 ' HG ' ' CD1' ' A' ' 64' ' ' ILE . 2.0 t -85.41 122.48 29.63 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.573 1.17 . . . . 43.200000000000003 108.266 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.466 ' HE2' HG22 ' A' ' 44' ' ' ILE . 7.7 tp10 -134.23 159.22 41.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.555 1.159 . . . . 74.129999999999995 110.238 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.567 ' HZ1' ' HB3' ' A' ' 39' ' ' SER . 0.1 OUTLIER -99.59 124.26 44.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.12 . . . . 74.109999999999999 109.293 -179.92 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.415 ' N ' ' HD2' ' A' ' 35' ' ' LYS . . . -55.35 176.78 0.05 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.562 1.163 . . . . 61.539999999999999 109.283 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.455 ' CG ' ' N ' ' A' ' 38' ' ' LYS . 11.9 pt-20 -96.3 -51.07 4.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.626 1.204 . . . . 72.099999999999994 110.31 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.455 ' N ' ' CG ' ' A' ' 37' ' ' GLU . 12.0 mmmt -47.74 -48.48 29.81 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.478 1.111 . . . . 70.129999999999995 109.245 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.567 ' HB3' ' HZ1' ' A' ' 35' ' ' LYS . 0.3 OUTLIER -39.74 158.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 61.219999999999999 110.035 -179.994 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -114.25 2.65 14.87 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.4 1.063 . . . . 65.120000000000005 109.299 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.625 HD12 ' CE2' ' A' ' 109' ' ' TYR . 0.1 OUTLIER -77.27 166.77 41.89 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.547 1.155 . . . . 75.430000000000007 109.293 -179.959 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . 0.439 ' O ' HG21 ' A' ' 68' ' ' ILE . 18.3 Cg_endo -75.06 120.3 5.99 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.52 1.8 . . . . 64.400000000000006 111.004 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -58.39 141.64 50.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.144 . . . . 74.430000000000007 110.23 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.767 HD12 ' OH ' ' A' ' 49' ' ' TYR . 4.6 tt -60.61 173.83 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.132 . . . . 73.530000000000001 109.356 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . 0.4 ' H ' ' CG1' ' A' ' 44' ' ' ILE . 1.2 m-20 -77.77 -35.35 51.72 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.441 1.088 . . . . 74.129999999999995 109.321 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.703 ' HA ' ' HG1' ' A' ' 4' ' ' THR . 0.0 OUTLIER -163.48 169.55 18.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.142 . . . . 72.310000000000002 109.287 179.965 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.619 ' HB2' HG22 ' A' ' 32' ' ' ILE . 3.5 ptm180 -113.94 94.98 5.08 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.44 1.087 . . . . 73.310000000000002 110.308 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.573 ' HG2' ' CE2' ' A' ' 5' ' ' PHE . 15.2 tptp -166.64 108.93 0.71 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.573 1.171 . . . . 65.409999999999997 109.185 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.767 ' OH ' HD12 ' A' ' 44' ' ' ILE . 30.9 m-85 -140.13 121.72 15.22 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.115 . . . . 72.340000000000003 110.927 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.43 HD13 ' HA ' ' A' ' 30' ' ' PRO . 6.8 tp -105.55 77.33 1.27 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.12 . . . . 74.329999999999998 109.34 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.747 HG12 ' HA ' ' B' ' 630' ' ' ALA . 19.7 m -75.33 150.07 84.78 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.573 1.171 . . . . 63.399999999999999 109.308 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . 0.432 ' HA ' ' HD3' ' A' ' 28' ' ' ARG . 18.2 Cg_endo -75.0 -177.6 3.58 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.453 1.765 . . . . 72.439999999999998 110.963 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -94.63 18.8 10.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 72.450000000000003 109.304 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -119.59 -39.0 2.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.545 1.153 . . . . 72.409999999999997 109.31 179.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.849 HD13 ' N ' ' A' ' 56' ' ' THR . 1.2 tm? -52.93 164.52 0.38 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 73.349999999999994 109.316 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.849 ' N ' HD13 ' A' ' 55' ' ' LEU . 0.2 OUTLIER -133.13 179.2 6.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.427 1.079 . . . . 33.539999999999999 110.434 179.973 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 2.8 t -67.33 -59.58 3.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 60.439999999999998 109.279 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -55.28 -16.94 10.3 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.59 1.181 . . . . 73.230000000000004 111.001 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . 0.515 ' HB3' HD22 ' A' ' 55' ' ' LEU . 37.7 mt-30 -99.15 -29.47 12.83 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.58 0.812 . . . . 74.530000000000001 110.363 179.883 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.567 ' CD1' HG11 ' A' ' 51' ' ' VAL . 14.0 t80 -69.57 -38.37 77.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.146 . . . . 73.030000000000001 110.956 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.588 HG23 ' CG1' ' A' ' 78' ' ' ILE . 84.6 t -56.75 -44.31 81.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.529 1.143 . . . . 73.010000000000005 109.302 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.571 ' CD1' ' O ' ' A' ' 62' ' ' TYR . 0.0 OUTLIER -47.33 -26.19 1.2 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.513 1.133 . . . . 74.540000000000006 111.001 180.0 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.969 HG22 ' C ' ' B' ' 630' ' ' ALA . 78.2 t -82.98 -43.28 18.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 65.319999999999993 109.358 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.835 ' CD1' ' HG ' ' A' ' 33' ' ' CYS . 11.6 mm -63.92 -30.37 49.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.444 1.09 . . . . 74.049999999999997 109.363 179.89 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 8.9 tpp85 -80.87 -3.12 50.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.145 . . . . 63.25 110.269 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 2.2 mttm -91.18 -52.34 4.87 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.132 . . . . 71.450000000000003 109.304 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 5.1 mmp_? -47.78 -70.48 0.09 Allowed 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.529 1.143 . . . . 74.150000000000006 110.264 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.49 ' O ' ' CG ' ' A' ' 69' ' ' MET . 4.9 pt -69.92 -7.83 9.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.433 1.083 . . . . 74.209999999999994 109.244 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' MET . . . . . 0.49 ' CG ' ' O ' ' A' ' 68' ' ' ILE . 3.0 ptt? 43.31 40.41 2.55 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.475 1.109 . . . . 64.340000000000003 110.955 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.518 HD12 ' HA ' ' A' ' 70' ' ' LEU . 4.7 tp -50.96 140.73 20.08 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.546 1.154 . . . . 62.43 109.257 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 171.15 18.88 Favored 'Trans proline' 0 C--N 1.362 1.271 0 O-C-N 124.474 1.776 . . . . 75.310000000000002 110.983 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -75.03 0.26 9.14 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.5 1.79 . . . . 73.310000000000002 110.94 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -94.65 8.38 42.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.154 . . . . 75.109999999999999 110.3 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -130.6 -179.19 5.14 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.515 1.134 . . . . 74.239999999999995 109.301 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -140.02 163.08 33.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 54.009999999999998 109.307 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.7 HD12 ' CD2' ' A' ' 109' ' ' TYR . 2.3 tt -150.69 137.12 12.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.427 1.079 . . . . 71.129999999999995 109.276 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 79.9 m-85 -136.79 139.47 41.81 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.435 1.084 . . . . 70.230000000000004 110.95 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.6 ' CG2' ' CG2' ' A' ' 107' ' ' VAL . 5.7 mm -84.62 155.26 3.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.534 1.146 . . . . 70.040000000000006 109.292 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . 0.492 ' CE1' ' HB3' ' A' ' 115' ' ' PHE . 5.7 m-85 -145.72 128.27 16.06 Favored 'General case' 0 C--N 1.323 -0.569 0 O-C-N 124.58 1.175 . . . . 63.119999999999997 111.065 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.777 ' O ' HG23 ' A' ' 83' ' ' THR . 2.4 t -131.78 105.4 9.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.123 . . . . 75.209999999999994 109.401 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . 0.541 ' ND2' ' CE1' ' A' ' 98' ' ' HIS . 2.7 m-80 72.32 24.22 3.08 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.12 . . . . 74.420000000000002 109.292 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . 0.461 ' CB ' ' O ' ' A' ' 81' ' ' ASN . 4.3 m-20 78.85 18.09 0.92 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 75.129999999999995 109.349 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' THR . . . . . 0.777 HG23 ' O ' ' A' ' 80' ' ' VAL . 1.0 OUTLIER -120.25 143.16 48.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 74.25 110.419 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.418 HD12 ' CE1' ' A' ' 79' ' ' PHE . 0.2 OUTLIER -100.56 108.46 53.41 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.455 1.097 . . . . 64.219999999999999 109.315 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.13 162.25 37.09 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.493 1.786 . . . . 73.140000000000001 110.946 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . 0.737 ' HD2' ' HB2' ' A' ' 89' ' ' ALA . 18.4 Cg_endo -74.95 -163.83 0.2 Allowed 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.483 1.781 . . . . 70.439999999999998 110.996 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 3.7 p -96.7 -31.75 12.53 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.522 1.139 . . . . 62.409999999999997 110.41 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -86.03 10.39 14.35 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.528 1.142 . . . . 71.439999999999998 109.372 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 1.019 ' HB1' HD12 ' A' ' 94' ' ' ILE . . . -75.89 60.73 1.39 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.528 1.142 . . . . 73.430000000000007 109.238 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.507 ' C ' ' O ' ' A' ' 89' ' ' ALA . 0.4 OUTLIER -31.74 117.37 0.2 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 71.209999999999994 109.308 179.869 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' MET . . . . . 0.425 ' C ' ' O ' ' A' ' 90' ' ' LEU . 55.9 mmm -36.06 -32.02 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.398 1.061 . . . . 71.209999999999994 110.989 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' SER . . . . . 0.544 ' HA ' HD13 ' A' ' 29' ' ' ILE . 6.0 p -62.61 -54.95 31.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 61.219999999999999 110.016 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . 0.438 ' N ' ' O ' ' A' ' 90' ' ' LEU . . . -66.17 -10.95 46.19 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.605 1.191 . . . . 70.439999999999998 109.298 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 1.019 HD12 ' HB1' ' A' ' 89' ' ' ALA . 30.5 mm -90.92 -39.09 11.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 O-C-N 124.505 1.128 . . . . 61.530000000000001 109.323 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . 0.74 ' CD2' HD21 ' A' ' 105' ' ' LEU . 9.6 t80 -79.91 -5.99 56.62 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.629 1.205 . . . . 52.140000000000001 111.021 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . 0.436 ' O ' ' CG ' ' A' ' 96' ' ' GLN . 3.3 tp-100 -100.25 -10.53 21.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.14 . . . . 73.329999999999998 110.343 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -120.27 -8.27 9.69 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.469 1.106 . . . . 70.129999999999995 110.319 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . 0.609 ' HB2' HD11 ' A' ' 105' ' ' LEU . 29.0 m-70 -126.36 16.21 7.71 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.563 1.164 . . . . 62.030000000000001 109.639 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.511 ' HB3' ' O ' ' A' ' 95' ' ' TYR . 0.1 OUTLIER -58.37 153.41 15.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.603 1.189 . . . . 60.420000000000002 109.302 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -120.29 177.02 5.18 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.46 1.1 . . . . 64.510000000000005 109.308 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 19.3 mtpt -61.79 -27.74 68.97 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.414 1.071 . . . . 74.239999999999995 109.357 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . 0.455 ' HB3' ' CE2' ' A' ' 11' ' ' PHE . 0.6 OUTLIER -89.67 -14.01 35.73 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 52.350000000000001 109.376 179.971 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . 0.544 ' O ' ' CZ ' ' A' ' 95' ' ' TYR . . . 91.18 -38.33 3.23 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.5 1.125 . . . . 42.140000000000001 111.095 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . 0.519 ' CD1' ' HB2' ' A' ' 30' ' ' PRO . 10.1 m-85 -57.89 135.25 56.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.458 0.74 . . . . 73.230000000000004 110.967 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.74 HD21 ' CD2' ' A' ' 95' ' ' TYR . 0.3 OUTLIER -82.0 145.91 30.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.102 . . . . 74.420000000000002 109.343 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . 0.469 ' CZ ' ' NH2' ' A' ' 14' ' ' ARG . 68.7 m-85 -121.4 92.39 3.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.105 . . . . 64.400000000000006 110.986 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . 0.6 ' CG2' ' CG2' ' A' ' 78' ' ' ILE . 12.8 p -103.56 167.54 2.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.15 . . . . 71.319999999999993 109.351 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' THR . . . . . 0.453 ' N ' HG23 ' A' ' 107' ' ' VAL . 0.2 OUTLIER -150.17 153.74 36.83 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.393 1.058 . . . . 74.209999999999994 110.432 179.964 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' TYR . . . . . 0.7 ' CD2' HD12 ' A' ' 76' ' ' ILE . 32.0 p90 -132.94 136.18 45.97 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.49 1.119 . . . . 63.539999999999999 110.993 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 45.8 t -137.26 153.73 50.28 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.49 1.119 . . . . 73.5 109.986 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . 0.493 ' H ' ' HG ' ' A' ' 39' ' ' SER . . . -79.11 3.48 65.68 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.488 1.117 . . . . 54.340000000000003 111.022 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -123.99 131.66 53.59 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.553 0.796 . . . . 65.25 110.349 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 12.1 t-20 -73.15 -5.23 37.78 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.572 1.17 . . . . 71.129999999999995 109.467 179.869 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -74.63 161.7 29.44 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.51 1.131 . . . . 73.219999999999999 110.396 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . 0.492 ' HB3' ' CE1' ' A' ' 79' ' ' PHE . 0.7 OUTLIER -140.65 67.82 1.36 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 74.329999999999998 110.996 179.959 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.016 0 O-C-N 124.493 1.121 . . . . 63.520000000000003 110.993 -179.996 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 597' ' ' GLY . . . . . 0.412 ' N ' ' HD3' ' B' ' 598' ' ' PRO . . . . . . . . 0 CA--C 1.531 1.032 0 N-CA-C 111.025 -0.83 . . . . 75.340000000000003 111.025 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 598' ' ' PRO . . . . . 0.412 ' HD3' ' N ' ' B' ' 597' ' ' GLY . 18.2 Cg_endo -75.06 168.79 24.01 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.611 1.848 . . . . 62.549999999999997 110.989 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 599' ' ' HIS . . . . . 0.476 ' CD2' ' N ' ' B' ' 599' ' ' HIS . 0.2 OUTLIER -103.68 143.31 32.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.583 1.177 . . . . 61.329999999999998 109.575 -179.959 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 600' ' ' MET . . . . . . . . . . . . . 33.0 ttp -168.77 157.03 8.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.128 . . . . 71.310000000000002 110.972 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 601' ' ' ILE . . . . . 0.421 HG22 ' O ' ' B' ' 601' ' ' ILE . 25.3 mm -90.23 59.62 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.544 1.153 . . . . 72.439999999999998 109.276 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 602' ' ' SER . . . . . . . . . . . . . 4.7 p -49.88 129.09 19.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.428 1.08 . . . . 55.439999999999998 110.019 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 603' ' ' GLY . . . . . . . . . . . . . . . -95.57 -31.33 7.53 Favored Glycine 0 CA--C 1.529 0.908 0 O-C-N 124.504 1.128 . . . . 71.310000000000002 111.036 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 604' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -64.72 -15.59 61.71 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 0.752 . . . . 63.329999999999998 109.321 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 605' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -116.46 70.61 0.77 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.418 1.073 . . . . 73.049999999999997 109.928 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 606' ' ' VAL . . . . . 0.551 HG12 ' N ' ' B' ' 607' ' ' ILE . 21.9 t -50.69 170.38 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 74.109999999999999 109.287 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 607' ' ' ILE . . . . . 0.551 ' N ' HG12 ' B' ' 606' ' ' VAL . 6.3 mt -40.36 154.72 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.431 1.082 . . . . 71.450000000000003 109.209 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 608' ' ' LYS . . . . . 0.53 ' HB3' ' HZ1' ' B' ' 608' ' ' LYS . 0.0 OUTLIER -163.06 138.34 6.68 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.552 1.158 . . . . 71.519999999999996 109.31 179.969 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 609' ' ' GLN . . . . . . . . . . . . . 5.2 mp0 -89.95 -1.97 58.07 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.122 . . . . 75.510000000000005 110.289 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 610' ' ' GLU . . . . . 0.4 ' HG2' ' CG ' ' B' ' 608' ' ' LYS . 15.6 pt-20 -55.59 -172.08 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.42 1.075 . . . . 74.310000000000002 110.278 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 611' ' ' VAL . . . . . 0.755 HG12 ' O ' ' A' ' 8' ' ' GLU . 14.7 m -136.38 -171.76 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 74.530000000000001 109.27 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 612' ' ' GLU . . . . . 0.401 ' HG3' ' N ' ' B' ' 613' ' ' ARG . 17.6 pt-20 -116.8 -49.48 2.63 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.576 1.173 . . . . 72.219999999999999 110.291 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 613' ' ' ARG . . . . . 0.74 ' CG ' HD12 ' B' ' 614' ' ' LEU . 18.6 ptp180 -137.29 -45.17 0.56 Allowed 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.551 1.157 . . . . 71.310000000000002 110.353 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 614' ' ' LEU . . . . . 0.834 HD22 ' CZ3' ' B' ' 621' ' ' TRP . 4.6 mp -76.4 133.97 39.75 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.474 1.109 . . . . 75.010000000000005 109.31 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 615' ' ' GLY . . . . . . . . . . . . . . . -137.88 -98.41 0.47 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.547 1.155 . . . . 55.229999999999997 110.971 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 616' ' ' ASN . . . . . 0.454 ' CG ' ' N ' ' B' ' 617' ' ' ASP . 14.1 p-10 -89.17 -45.04 9.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.578 0.811 . . . . 73.319999999999993 109.317 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 617' ' ' ASP . . . . . 0.454 ' N ' ' CG ' ' B' ' 616' ' ' ASN . 56.6 m-20 -72.71 -12.0 60.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.413 1.071 . . . . 64.209999999999994 109.277 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 618' ' ' VAL . . . . . 0.578 ' O ' ' CD1' ' B' ' 619' ' ' PHE . 0.0 OUTLIER 39.66 33.52 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.123 . . . . 73.239999999999995 109.316 -179.897 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 619' ' ' PHE . . . . . 0.578 ' CD1' ' O ' ' B' ' 618' ' ' VAL . 14.0 m-85 -153.62 123.69 6.92 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.434 1.084 . . . . 72.230000000000004 110.959 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 620' ' ' GLU . . . . . 0.402 ' CD ' ' O ' ' B' ' 619' ' ' PHE . 4.0 mm-40 -140.41 -54.48 0.52 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 53.420000000000002 110.326 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 621' ' ' TRP . . . . . 0.834 ' CZ3' HD22 ' B' ' 614' ' ' LEU . 9.0 p90 -53.42 167.5 0.21 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.139 . . . . 73.319999999999993 108.054 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 622' ' ' GLU . . . . . 0.446 ' HG3' ' N ' ' B' ' 623' ' ' ASP . 36.1 tp10 -39.13 153.1 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 64.150000000000006 110.294 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 623' ' ' ASP . . . . . 0.608 ' HD2' ' HE2' ' B' ' 628' ' ' GLU . 45.7 m-20 55.04 103.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 72.319999999999993 109.271 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 624' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -72.05 -62.75 1.32 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.566 1.166 . . . . 63.210000000000001 109.277 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 625' ' ' GLU . . . . . 0.403 ' O ' ' C ' ' B' ' 626' ' ' SER . 2.1 pt-20 -126.9 16.48 7.38 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 75.099999999999994 110.344 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 626' ' ' SER . . . . . 0.441 ' CB ' ' HB3' ' B' ' 623' ' ' ASP . 7.1 t -39.18 153.98 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 72.439999999999998 109.97 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 627' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -92.02 11.11 26.33 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.412 1.07 . . . . 61.450000000000003 109.341 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 628' ' ' GLU . . . . . 0.608 ' HE2' ' HD2' ' B' ' 623' ' ' ASP . 15.0 pt-20 -69.41 -14.09 62.71 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.507 1.129 . . . . 70.040000000000006 110.368 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 629' ' ' ILE . . . . . 0.489 ' C ' HD13 ' B' ' 629' ' ' ILE . 0.7 OUTLIER -93.12 30.88 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.525 1.141 . . . . 61.409999999999997 109.285 -179.977 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 630' ' ' ALA . . . . . 0.969 ' C ' HG22 ' A' ' 63' ' ' VAL . . . . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.567 1.167 . . . . 73.25 109.384 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 0' ' ' HIS . . . . . . . . . . . . . 16.0 p80 . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 109.549 -0.538 . . . . 72.510000000000005 109.549 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.408 ' HE2' ' HG ' ' A' ' 7' ' ' SER . 3.3 ptp -65.61 -173.49 0.16 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.534 1.146 . . . . 71.219999999999999 111.005 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 39.0 mttm -140.2 -49.41 0.46 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.542 1.151 . . . . 64.099999999999994 109.333 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.454 ' OG ' ' CB ' ' A' ' 7' ' ' SER . 77.7 p -67.6 174.91 3.16 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 61.210000000000001 109.989 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.762 HG21 HH21 ' A' ' 47' ' ' ARG . 70.8 p -145.36 -91.74 0.1 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 74.439999999999998 110.468 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.621 ' CZ ' ' OH ' ' A' ' 9' ' ' TYR . 1.6 t80 -49.21 -28.65 4.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 75.109999999999999 110.99 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.525 ' HD3' HG21 ' A' ' 32' ' ' ILE . 21.6 mtmm -93.68 -23.59 18.18 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.556 1.16 . . . . 72.109999999999999 109.318 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.454 ' CB ' ' OG ' ' A' ' 3' ' ' SER . 0.3 OUTLIER -76.36 -12.56 60.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.142 . . . . 63.350000000000001 109.992 179.984 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.636 ' OE1' HG23 ' B' ' 611' ' ' VAL . 0.0 OUTLIER -73.4 -50.47 21.67 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.563 1.164 . . . . 75.049999999999997 110.252 -179.929 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.622 ' CD1' ' HB3' ' A' ' 8' ' ' GLU . 0.2 OUTLIER -125.52 169.52 11.17 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 62.130000000000003 110.951 -179.928 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.42 ' N ' ' HG2' ' B' ' 609' ' ' GLN . 18.4 Cg_endo -74.99 175.91 10.6 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.586 1.835 . . . . 44.439999999999998 110.96 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.578 ' CE2' ' HB3' ' A' ' 102' ' ' ASP . 1.7 t80 -63.38 -43.98 96.04 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.526 1.141 . . . . 73.120000000000005 111.025 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 20.2 mt-10 -49.46 -22.64 1.25 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.489 1.118 . . . . 72.25 110.297 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.89 -36.29 36.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 72.310000000000002 109.315 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 1.046 HH21 HD12 ' A' ' 32' ' ' ILE . 0.1 OUTLIER -71.1 -54.77 9.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.144 . . . . 72.400000000000006 110.274 -179.931 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 16.8 pttt -53.4 -42.47 67.01 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.554 1.158 . . . . 63.020000000000003 109.359 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.67 -35.34 77.68 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.538 1.149 . . . . 52.130000000000003 109.322 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 1.006 ' OE1' HG11 ' B' ' 618' ' ' VAL . 26.2 tt0 -68.21 -54.29 18.8 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.46 1.1 . . . . 64.25 110.318 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.431 ' HB3' ' CE2' ' A' ' 104' ' ' PHE . 11.2 p -59.41 -16.11 21.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 73.400000000000006 109.969 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 16.4 mm-40 -79.78 -23.92 41.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.421 1.076 . . . . 72.310000000000002 110.277 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.416 ' HG3' ' N ' ' A' ' 21' ' ' ILE . 11.4 ptt180 -101.75 -23.87 14.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 74.030000000000001 110.288 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.434 HD12 ' OE2' ' A' ' 17' ' ' GLU . 5.5 mt -63.71 -18.04 21.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.555 1.159 . . . . 70.129999999999995 109.327 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -74.89 -15.21 60.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.112 . . . . 53.32 109.319 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -105.79 -24.94 12.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.551 1.157 . . . . 74.040000000000006 109.276 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.533 ' HB3' ' CE2' ' A' ' 25' ' ' PHE . 30.1 mmm-85 -83.6 -52.58 6.34 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.556 1.16 . . . . 72.200000000000003 110.304 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.533 ' CE2' ' HB3' ' A' ' 24' ' ' ARG . 12.0 m-85 -145.34 86.06 7.69 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.149 . . . . 64.319999999999993 111.006 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.86 -26.67 11.0 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.457 1.767 . . . . 74.200000000000003 110.996 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 84.5 m-20 -92.33 41.58 1.08 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.132 . . . . 72.439999999999998 109.288 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.484 ' O ' HD11 ' A' ' 29' ' ' ILE . 1.7 mmt85 -131.22 -178.11 4.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.543 1.152 . . . . 75.129999999999995 110.304 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.486 HG23 ' CB ' ' A' ' 95' ' ' TYR . 21.3 mm -141.81 102.1 5.88 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 73.209999999999994 109.272 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.596 ' HD2' ' CE2' ' A' ' 95' ' ' TYR . 18.3 Cg_endo -75.0 126.3 9.88 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.639 1.863 . . . . 64.019999999999996 110.985 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.895 ' O ' HD11 ' A' ' 32' ' ' ILE . 0.8 OUTLIER -141.42 173.37 8.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.574 1.171 . . . . 75.340000000000003 109.349 179.897 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 1.046 HD12 HH21 ' A' ' 14' ' ' ARG . 4.5 mm -142.16 111.68 2.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.576 1.173 . . . . 65.239999999999995 109.264 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.788 ' HG ' HD13 ' A' ' 64' ' ' ILE . 1.0 OUTLIER -82.44 129.59 34.93 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.534 1.146 . . . . 43.200000000000003 108.227 -179.96 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.76 ' HB3' HG21 ' A' ' 108' ' ' THR . 0.3 OUTLIER -124.82 149.64 47.23 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.485 1.116 . . . . 74.129999999999995 110.309 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.559 ' HZ1' ' H ' ' A' ' 41' ' ' ILE . 7.9 tptt -91.34 124.4 35.51 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.518 1.136 . . . . 74.109999999999999 109.387 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.459 ' CB ' ' HB3' ' A' ' 110' ' ' SER . . . -59.38 169.48 1.21 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.449 1.093 . . . . 61.539999999999999 109.288 -179.907 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.44 ' CG ' ' N ' ' A' ' 38' ' ' LYS . 11.8 pt-20 -96.93 -48.88 5.25 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.435 1.085 . . . . 72.099999999999994 110.39 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.44 ' N ' ' CG ' ' A' ' 37' ' ' GLU . 0.1 OUTLIER -53.16 -46.82 69.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.142 . . . . 70.129999999999995 109.254 179.963 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.88 ' HG ' ' H ' ' A' ' 111' ' ' GLY . 0.3 OUTLIER -59.5 158.98 8.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.575 1.172 . . . . 61.219999999999999 110.019 -179.968 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -122.93 34.29 5.18 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.47 1.106 . . . . 65.120000000000005 109.33 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.619 HD12 ' CE2' ' A' ' 109' ' ' TYR . 0.0 OUTLIER -83.54 167.38 28.94 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.5 1.125 . . . . 75.430000000000007 109.273 -179.979 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . 0.605 ' O ' HG21 ' A' ' 68' ' ' ILE . 18.5 Cg_endo -74.95 115.0 4.16 Favored 'Trans proline' 0 C--N 1.358 1.064 0 O-C-N 124.465 1.771 . . . . 64.400000000000006 110.957 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -56.27 140.85 43.48 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.452 1.095 . . . . 74.430000000000007 110.271 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 1.067 ' CD1' ' HH ' ' A' ' 49' ' ' TYR . 12.2 tt -68.36 158.54 5.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 73.530000000000001 109.305 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 32.8 m-20 -61.06 -46.36 91.01 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.54 1.15 . . . . 74.129999999999995 109.293 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.566 ' HE3' ' CZ2' ' B' ' 621' ' ' TRP . 0.0 OUTLIER -147.83 167.75 23.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 72.310000000000002 109.372 179.911 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.762 HH21 HG21 ' A' ' 4' ' ' THR . 2.7 ptp180 -116.64 93.85 4.37 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.536 1.147 . . . . 73.310000000000002 110.248 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.55 ' HB2' ' CD2' ' A' ' 5' ' ' PHE . 12.8 tptp -166.23 93.48 0.52 Allowed 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.56 1.163 . . . . 65.409999999999997 109.188 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 1.067 ' HH ' ' CD1' ' A' ' 44' ' ' ILE . 20.2 m-85 -116.84 124.31 49.22 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.514 1.134 . . . . 72.340000000000003 110.997 179.904 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -109.4 76.88 1.02 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 74.329999999999998 109.204 -179.909 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.923 HG22 ' SD ' ' A' ' 91' ' ' MET . 5.7 m -76.64 145.49 75.16 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.494 1.121 . . . . 63.399999999999999 109.262 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.9 -177.66 3.6 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.538 1.809 . . . . 72.439999999999998 111.027 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -92.02 18.7 7.59 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.513 1.133 . . . . 72.450000000000003 109.262 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.776 ' O ' HD11 ' A' ' 90' ' ' LEU . 21.9 t0 -118.89 -37.8 3.18 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.461 1.101 . . . . 72.409999999999997 109.29 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 1.011 HD21 ' HB1' ' B' ' 630' ' ' ALA . 0.0 OUTLIER -59.98 132.13 53.0 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.46 1.1 . . . . 73.349999999999994 109.242 -179.949 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.634 ' N ' HD12 ' A' ' 55' ' ' LEU . 9.1 p -92.79 -161.39 0.83 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.152 . . . . 33.539999999999999 110.387 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 2.9 t -86.76 -59.46 2.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 60.439999999999998 109.314 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -59.63 -13.91 26.33 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.478 1.111 . . . . 73.230000000000004 110.964 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . 0.504 ' CB ' ' CD1' ' A' ' 55' ' ' LEU . 31.7 mt-30 -97.07 -27.39 14.61 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.485 0.756 . . . . 74.530000000000001 110.302 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.709 ' CD1' HG11 ' A' ' 51' ' ' VAL . 68.4 t80 -70.18 -41.03 74.28 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.44 1.087 . . . . 73.030000000000001 111.053 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.667 HG13 ' CG2' ' A' ' 76' ' ' ILE . 65.7 t -48.73 -47.23 15.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 O-C-N 124.571 1.17 . . . . 73.010000000000005 109.31 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.509 ' C ' ' CD1' ' A' ' 62' ' ' TYR . 0.1 OUTLIER -44.19 -33.71 1.62 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.531 1.145 . . . . 74.540000000000006 110.923 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.999 HG22 ' C ' ' B' ' 630' ' ' ALA . 88.9 t -73.83 -40.25 53.1 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 O-C-N 124.541 1.15 . . . . 65.319999999999993 109.286 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.788 HD13 ' HG ' ' A' ' 33' ' ' CYS . 14.2 mm -67.31 -31.85 54.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.553 1.158 . . . . 74.049999999999997 109.322 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 5.5 tpp85 -80.43 -3.49 50.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 63.25 110.277 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -89.9 -50.83 5.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.152 . . . . 71.450000000000003 109.31 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.643 ' HG3' HD12 ' A' ' 44' ' ' ILE . 6.9 mmp_? -50.41 -65.68 0.52 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.449 1.093 . . . . 74.150000000000006 110.288 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.605 HG21 ' O ' ' A' ' 42' ' ' PRO . 5.6 pt -75.06 -3.3 4.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 74.209999999999994 109.215 -179.907 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' MET . . . . . 0.492 ' CG ' ' O ' ' A' ' 68' ' ' ILE . 10.6 ptp 43.47 38.41 1.79 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.434 1.083 . . . . 64.340000000000003 111.018 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.563 HD11 ' HZ1' ' A' ' 74' ' ' LYS . 5.1 tp -50.97 140.97 19.63 Favored Pre-proline 0 C--N 1.324 -0.526 0 O-C-N 124.513 1.133 . . . . 62.43 109.265 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.11 169.49 22.46 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.527 1.804 . . . . 75.310000000000002 111.005 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 -0.05 9.48 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.553 1.817 . . . . 73.310000000000002 111.054 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -91.69 -19.39 22.69 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.465 1.103 . . . . 75.109999999999999 110.246 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.563 ' HZ1' HD11 ' A' ' 70' ' ' LEU . 1.2 mttp -99.27 -178.96 4.08 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.627 1.204 . . . . 74.239999999999995 109.316 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -138.44 163.54 31.66 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.146 . . . . 54.009999999999998 109.337 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.667 ' CG2' HG13 ' A' ' 61' ' ' VAL . 1.6 tt -156.84 115.21 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.423 1.077 . . . . 71.129999999999995 109.342 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 77.1 m-85 -114.22 141.81 47.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.541 1.151 . . . . 70.230000000000004 110.991 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.593 ' CG1' HG23 ' A' ' 61' ' ' VAL . 2.5 mm -84.88 156.86 3.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.446 1.091 . . . . 70.040000000000006 109.33 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . 0.402 ' N ' ' O ' ' A' ' 108' ' ' THR . 4.6 m-85 -149.34 128.51 12.81 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.102 . . . . 63.119999999999997 111.044 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.583 ' O ' HG23 ' A' ' 83' ' ' THR . 2.6 t -133.13 119.62 36.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.476 1.11 . . . . 75.209999999999994 109.322 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . 0.483 ' ND2' HG12 ' A' ' 80' ' ' VAL . 2.4 m-80 62.4 20.32 11.77 Favored 'General case' 0 C--N 1.327 -0.408 0 O-C-N 124.503 1.127 . . . . 74.420000000000002 109.324 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . 0.481 ' CB ' ' O ' ' A' ' 81' ' ' ASN . 4.3 t70 80.48 23.18 0.39 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 75.129999999999995 109.245 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' THR . . . . . 0.583 HG23 ' O ' ' A' ' 80' ' ' VAL . 0.7 OUTLIER -130.97 137.23 49.15 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.534 1.146 . . . . 74.25 110.436 179.944 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.493 ' CD1' ' O ' ' A' ' 78' ' ' ILE . 0.2 OUTLIER -91.58 112.42 54.29 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.55 1.157 . . . . 64.219999999999999 109.332 -179.989 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.09 162.6 36.64 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.432 1.754 . . . . 73.140000000000001 110.943 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . 0.748 ' HD2' ' HB2' ' A' ' 89' ' ' ALA . 18.5 Cg_endo -74.9 -176.68 2.98 Favored 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.544 1.813 . . . . 70.439999999999998 111.1 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 2.2 p -84.52 -32.41 23.92 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.464 1.103 . . . . 62.409999999999997 110.381 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -85.02 9.87 13.46 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.47 1.106 . . . . 71.439999999999998 109.322 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 1.056 ' HB1' HD12 ' A' ' 94' ' ' ILE . . . -76.0 60.66 1.43 Allowed 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.484 1.115 . . . . 73.430000000000007 109.28 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.776 HD11 ' O ' ' A' ' 54' ' ' ASP . 0.0 OUTLIER -30.41 118.66 0.17 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 71.209999999999994 109.306 180.0 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' MET . . . . . 0.923 ' SD ' HG22 ' A' ' 51' ' ' VAL . 0.3 OUTLIER -39.45 -27.95 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 71.209999999999994 110.999 -179.979 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' SER . . . . . 0.449 ' N ' ' O ' ' A' ' 90' ' ' LEU . 2.8 t -67.42 -57.05 7.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 61.219999999999999 110.03 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -62.75 -13.22 30.19 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.54 1.15 . . . . 70.439999999999998 109.302 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 1.056 HD12 ' HB1' ' A' ' 89' ' ' ALA . 34.9 mm -87.61 -42.35 15.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.447 1.092 . . . . 61.530000000000001 109.298 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . 0.834 ' CD2' HD21 ' A' ' 105' ' ' LEU . 10.0 t80 -77.41 -5.19 48.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 52.140000000000001 110.959 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . 0.455 ' O ' ' CG ' ' A' ' 96' ' ' GLN . 1.7 tt0 -102.47 -9.94 19.81 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.536 1.148 . . . . 73.329999999999998 110.299 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -120.44 -7.26 9.74 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.557 1.161 . . . . 70.129999999999995 110.382 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . 0.478 ' CE1' ' ND2' ' A' ' 81' ' ' ASN . 28.7 m-70 -128.76 17.56 6.29 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.486 1.116 . . . . 62.030000000000001 109.613 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.488 ' HB3' ' O ' ' A' ' 95' ' ' TYR . 0.1 OUTLIER -59.74 155.77 15.29 Favored 'General case' 0 C--N 1.326 -0.413 0 O-C-N 124.453 1.096 . . . . 60.420000000000002 109.248 -179.946 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -128.53 177.05 7.28 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.409 1.068 . . . . 64.510000000000005 109.29 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 24.1 mtmm -57.16 -49.63 75.37 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 74.239999999999995 109.354 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . 0.638 ' HD2' ' HE2' ' A' ' 106' ' ' TYR . 0.2 OUTLIER -62.34 -14.42 39.44 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.456 1.097 . . . . 52.350000000000001 109.249 179.985 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . 0.403 ' O ' ' CZ ' ' A' ' 95' ' ' TYR . . . 87.25 -39.25 3.11 Favored Glycine 0 CA--C 1.532 1.109 0 O-C-N 124.514 1.134 . . . . 42.140000000000001 110.98 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . 0.677 ' CE1' ' NH2' ' A' ' 14' ' ' ARG . 23.8 m-85 -62.23 145.82 52.54 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.564 0.802 . . . . 73.230000000000004 110.942 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.834 HD21 ' CD2' ' A' ' 95' ' ' TYR . 0.2 OUTLIER -84.62 147.13 27.13 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.407 1.067 . . . . 74.420000000000002 109.271 -179.958 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . 0.638 ' HE2' ' HD2' ' A' ' 102' ' ' ASP . 50.4 m-85 -121.94 91.9 3.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 64.400000000000006 111.015 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . 0.55 ' CG2' ' CG2' ' A' ' 78' ' ' ILE . 8.1 p -98.59 169.72 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.521 1.138 . . . . 71.319999999999993 109.345 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' THR . . . . . 0.76 HG21 ' HB3' ' A' ' 34' ' ' GLU . 0.2 OUTLIER -148.18 134.95 19.98 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.428 1.08 . . . . 74.209999999999994 110.4 -179.905 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' TYR . . . . . 0.619 ' CE2' HD12 ' A' ' 41' ' ' ILE . 27.8 p90 -119.8 129.74 54.59 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.586 1.179 . . . . 63.539999999999999 110.991 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' SER . . . . . 0.459 ' HB3' ' CB ' ' A' ' 36' ' ' ALA . 25.4 p -128.89 142.21 51.03 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.483 1.114 . . . . 73.5 110.024 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . 0.88 ' H ' ' HG ' ' A' ' 39' ' ' SER . . . -63.81 -11.6 44.12 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.511 1.132 . . . . 54.340000000000003 110.998 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 20.6 pt-20 -111.54 161.88 15.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 0.766 . . . . 65.25 110.303 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 16.3 t-20 -117.07 42.41 2.53 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.132 . . . . 71.129999999999995 109.292 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' THR . . . . . 0.504 HG23 ' H ' ' A' ' 115' ' ' PHE . 4.3 m -112.0 177.29 4.69 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.545 1.153 . . . . 73.219999999999999 110.292 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . 0.504 ' H ' HG23 ' A' ' 114' ' ' THR . 3.6 p90 -136.98 104.76 5.55 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.496 1.122 . . . . 74.329999999999998 111.047 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.963 0 O-C-N 124.464 1.103 . . . . 63.520000000000003 111.11 -179.857 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 597' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.027 0 N-CA-C 110.965 -0.854 . . . . 75.340000000000003 110.965 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 598' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 179.17 6.34 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.501 1.79 . . . . 62.549999999999997 111.009 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 599' ' ' HIS . . . . . 0.401 ' CD2' ' N ' ' B' ' 600' ' ' MET . 2.0 t-80 -75.15 140.34 43.3 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.46 1.1 . . . . 61.329999999999998 109.597 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 600' ' ' MET . . . . . 0.401 ' N ' ' CD2' ' B' ' 599' ' ' HIS . 20.9 mtm -144.15 162.83 35.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.135 . . . . 71.310000000000002 110.989 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 601' ' ' ILE . . . . . . . . . . . . . 18.5 mt -95.91 155.41 3.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.547 1.155 . . . . 72.439999999999998 109.246 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 602' ' ' SER . . . . . . . . . . . . . 5.2 m -64.15 -63.58 1.11 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 55.439999999999998 109.96 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 603' ' ' GLY . . . . . 0.484 ' O ' ' C ' ' B' ' 604' ' ' LEU . . . 48.76 -155.96 1.44 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.553 1.158 . . . . 71.310000000000002 111.008 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 604' ' ' LEU . . . . . 0.484 ' C ' ' O ' ' B' ' 603' ' ' GLY . 0.2 OUTLIER 34.02 37.55 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.56 0.8 . . . . 63.329999999999998 109.313 179.978 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 605' ' ' SER . . . . . 0.455 ' N ' ' O ' ' B' ' 603' ' ' GLY . 54.7 p -87.31 -15.84 36.84 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.13 . . . . 73.049999999999997 110.003 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 606' ' ' VAL . . . . . . . . . . . . . 67.0 t -93.81 156.14 3.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 74.109999999999999 109.318 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 607' ' ' ILE . . . . . . . . . . . . . 18.8 mt -76.94 154.36 5.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.418 1.074 . . . . 71.450000000000003 109.265 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 608' ' ' LYS . . . . . 0.517 ' CD ' ' N ' ' B' ' 608' ' ' LYS . 0.0 OUTLIER -172.77 139.69 0.92 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.557 1.16 . . . . 71.519999999999996 109.291 -179.977 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 609' ' ' GLN . . . . . 0.442 ' CD ' ' N ' ' B' ' 609' ' ' GLN . 2.7 mp0 -115.93 127.86 55.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.552 1.157 . . . . 75.510000000000005 110.368 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 610' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -84.75 -178.96 7.0 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.474 1.109 . . . . 74.310000000000002 110.29 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 611' ' ' VAL . . . . . 0.636 HG23 ' OE1' ' A' ' 8' ' ' GLU . 37.8 t -133.5 134.05 57.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.432 1.082 . . . . 74.530000000000001 109.29 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 612' ' ' GLU . . . . . 0.433 ' HG3' ' CG ' ' B' ' 613' ' ' ARG . 7.2 pt-20 -130.93 -53.92 1.05 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.584 1.178 . . . . 72.219999999999999 110.357 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 613' ' ' ARG . . . . . 0.433 ' CG ' ' HG3' ' B' ' 612' ' ' GLU . 0.6 OUTLIER -137.37 -45.3 0.55 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.137 . . . . 71.310000000000002 110.307 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 614' ' ' LEU . . . . . 0.707 HD22 ' CZ3' ' B' ' 621' ' ' TRP . 5.0 mp -84.96 179.36 7.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 75.010000000000005 109.323 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 615' ' ' GLY . . . . . 0.406 ' N ' ' HG3' ' B' ' 620' ' ' GLU . . . -177.48 -116.99 0.5 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.506 1.129 . . . . 55.229999999999997 111.009 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 616' ' ' ASN . . . . . 0.404 ' C ' ' O ' ' B' ' 615' ' ' GLY . 8.6 t30 -39.7 -87.73 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.508 0.77 . . . . 73.319999999999993 109.285 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 617' ' ' ASP . . . . . 0.746 ' H ' ' HE2' ' B' ' 620' ' ' GLU . 19.8 t0 -67.92 169.42 9.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 64.209999999999994 109.271 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 618' ' ' VAL . . . . . 1.006 HG11 ' OE1' ' A' ' 17' ' ' GLU . 4.1 m -89.74 15.86 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.427 1.079 . . . . 73.239999999999995 109.332 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 619' ' ' PHE . . . . . 0.575 ' CD1' ' O ' ' B' ' 618' ' ' VAL . 34.0 m-85 -151.54 90.94 1.61 Allowed 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.45 1.094 . . . . 72.230000000000004 110.966 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 620' ' ' GLU . . . . . 0.746 ' HE2' ' H ' ' B' ' 617' ' ' ASP . 0.7 OUTLIER -112.99 -0.18 14.85 Favored 'General case' 0 C--N 1.327 -0.394 0 O-C-N 124.44 1.088 . . . . 53.420000000000002 110.315 179.961 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 621' ' ' TRP . . . . . 0.707 ' CZ3' HD22 ' B' ' 614' ' ' LEU . 5.4 p90 -113.7 -168.77 1.39 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.564 1.165 . . . . 73.319999999999993 107.934 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 622' ' ' GLU . . . . . 0.586 ' O ' ' CD1' ' B' ' 621' ' ' TRP . 1.2 pm0 -75.47 140.26 42.75 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.599 1.187 . . . . 64.150000000000006 110.358 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 623' ' ' ASP . . . . . 0.447 ' CB ' ' O ' ' B' ' 622' ' ' GLU . 2.8 m-20 77.51 91.81 0.07 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.552 1.158 . . . . 72.319999999999993 109.342 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 624' ' ' ASP . . . . . 0.469 ' CG ' ' N ' ' B' ' 625' ' ' GLU . 0.9 OUTLIER -89.49 -48.65 7.18 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.466 1.104 . . . . 63.210000000000001 109.279 -179.926 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 625' ' ' GLU . . . . . 0.469 ' N ' ' CG ' ' B' ' 624' ' ' ASP . 0.8 OUTLIER -127.86 3.23 6.0 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.489 1.118 . . . . 75.099999999999994 110.327 179.982 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 626' ' ' SER . . . . . 0.487 ' O ' HD12 ' B' ' 629' ' ' ILE . 0.2 OUTLIER -35.15 151.17 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.607 1.192 . . . . 72.439999999999998 109.937 -179.967 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 627' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -87.05 13.34 9.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 61.450000000000003 109.255 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 628' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -82.54 -0.38 46.45 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.547 1.154 . . . . 70.040000000000006 110.274 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 629' ' ' ILE . . . . . 0.487 HD12 ' O ' ' B' ' 626' ' ' SER . 1.1 pp -103.42 15.07 6.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.456 1.097 . . . . 61.409999999999997 109.327 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 630' ' ' ALA . . . . . 1.011 ' HB1' HD21 ' A' ' 55' ' ' LEU . . . . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 73.25 109.268 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.2 p . . . . . 0 N--CA 1.452 -0.352 0 N-CA-C 110.455 -0.202 . . . . 74.439999999999998 110.455 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 5' ' ' PHE . . . . . 0.617 ' CE1' ' OH ' ' A' ' 9' ' ' TYR . 8.6 t80 -59.4 -22.85 62.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 75.109999999999999 111.047 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 8.6 tmtt? -100.63 -11.88 19.66 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 72.109999999999999 109.283 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 16.5 t -88.81 -31.36 18.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.444 1.09 . . . . 63.350000000000001 110.01 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' GLU . . . . . 0.542 ' HB3' ' CD1' ' A' ' 9' ' ' TYR . 51.5 tt0 -45.46 -49.39 13.5 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.444 1.09 . . . . 75.049999999999997 110.342 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' TYR . . . . . 0.617 ' OH ' ' CE1' ' A' ' 5' ' ' PHE . 0.2 OUTLIER -122.47 168.99 10.45 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.11 . . . . 62.130000000000003 110.971 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -179.52 5.07 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.443 1.76 . . . . 44.439999999999998 110.952 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.486 ' CE2' ' HB3' ' A' ' 102' ' ' ASP . 5.3 t80 -65.14 -54.16 33.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 73.120000000000005 110.987 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -43.96 -26.51 0.28 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.474 1.109 . . . . 72.25 110.266 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.404 ' NZ ' ' HB2' ' A' ' 13' ' ' LYS . 0.0 OUTLIER -70.72 -46.23 63.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 72.310000000000002 109.28 -179.955 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.721 ' NH1' HD11 ' A' ' 32' ' ' ILE . 0.0 OUTLIER -63.0 -56.99 12.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.151 . . . . 72.400000000000006 110.309 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 2.1 pttt -47.83 -39.98 19.97 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.47 1.106 . . . . 63.020000000000003 109.282 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -67.89 -33.9 75.61 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.532 1.145 . . . . 52.130000000000003 109.308 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.443 ' N ' ' O ' ' A' ' 14' ' ' ARG . 19.0 tp10 -67.16 -49.48 64.6 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.12 . . . . 64.25 110.334 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 81.1 p -63.38 -23.72 67.53 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.109 . . . . 73.400000000000006 109.998 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -67.99 -22.96 64.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.435 1.085 . . . . 72.310000000000002 110.268 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 37.9 mtp180 -100.94 -36.73 8.93 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.472 1.107 . . . . 74.030000000000001 110.374 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.553 HD12 ' HZ ' ' A' ' 104' ' ' PHE . 7.9 mt -61.04 -17.31 15.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.576 1.172 . . . . 70.129999999999995 109.32 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -79.06 -23.0 44.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 53.32 109.338 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -101.11 -5.52 25.58 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.443 1.09 . . . . 74.040000000000006 109.227 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.571 ' HB3' ' CD2' ' A' ' 25' ' ' PHE . 11.3 mtp180 -101.93 -59.01 1.77 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 72.200000000000003 110.3 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.571 ' CD2' ' HB3' ' A' ' 24' ' ' ARG . 46.7 m-85 -131.98 89.88 37.13 Favored Pre-proline 0 C--N 1.324 -0.527 0 O-C-N 124.506 1.129 . . . . 64.319999999999993 111.014 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -27.59 9.84 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.462 1.769 . . . . 74.200000000000003 111.008 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 92.3 m-20 -93.53 41.27 1.08 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 72.439999999999998 109.311 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.453 ' CG ' ' HB3' ' A' ' 25' ' ' PHE . 1.5 mmt-85 -128.76 169.27 14.72 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.509 1.131 . . . . 75.129999999999995 110.293 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.522 HG23 ' CB ' ' A' ' 95' ' ' TYR . 34.5 mm -134.48 96.48 15.27 Favored Pre-proline 0 C--N 1.324 -0.543 0 O-C-N 124.497 1.123 . . . . 73.209999999999994 109.357 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.594 ' HD2' ' CE2' ' A' ' 95' ' ' TYR . 18.3 Cg_endo -74.96 122.98 7.57 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.485 1.781 . . . . 64.019999999999996 110.968 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.468 HG13 HG22 ' A' ' 51' ' ' VAL . 0.8 OUTLIER -137.36 173.47 13.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.457 1.098 . . . . 75.340000000000003 109.358 179.962 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.721 HD11 ' NH1' ' A' ' 14' ' ' ARG . 7.5 mm -137.28 108.78 6.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.569 1.168 . . . . 65.239999999999995 109.312 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.551 ' HA ' HG13 ' A' ' 107' ' ' VAL . 2.7 t -78.81 133.19 37.07 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.561 1.163 . . . . 43.200000000000003 108.262 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.944 ' HB3' HG23 ' A' ' 108' ' ' THR . 4.9 tm-20 -138.23 161.46 36.82 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 74.129999999999995 110.37 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.566 ' HZ3' ' CA ' ' A' ' 43' ' ' GLU . 0.0 OUTLIER -115.96 127.75 55.21 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.436 1.085 . . . . 74.109999999999999 109.276 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -59.58 156.11 14.12 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.558 1.161 . . . . 61.539999999999999 109.376 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.423 ' CG ' ' N ' ' A' ' 38' ' ' LYS . 12.6 pt-20 -77.38 -48.56 16.97 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.134 . . . . 72.099999999999994 110.312 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.423 ' N ' ' CG ' ' A' ' 37' ' ' GLU . 33.1 mttp -53.11 -40.18 63.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 70.129999999999995 109.312 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.4 ' O ' ' O ' ' A' ' 38' ' ' LYS . 6.5 t -41.18 161.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 61.219999999999999 109.992 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 71.5 m-20 -118.24 -4.74 10.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 65.120000000000005 109.311 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.548 HD11 ' CE2' ' A' ' 109' ' ' TYR . 0.1 OUTLIER -75.39 166.84 42.04 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.517 1.136 . . . . 75.430000000000007 109.23 -179.928 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 131.08 13.81 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.553 1.817 . . . . 64.400000000000006 111.032 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.566 ' CA ' ' HZ3' ' A' ' 35' ' ' LYS . 30.8 tt0 -69.45 146.98 51.55 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.516 1.135 . . . . 74.430000000000007 110.313 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.515 ' CD1' ' OH ' ' A' ' 49' ' ' TYR . 14.2 tt -64.4 171.54 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.577 1.173 . . . . 73.530000000000001 109.31 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -79.1 -41.12 29.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.537 1.148 . . . . 74.129999999999995 109.262 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.422 ' C ' ' CD ' ' A' ' 46' ' ' LYS . 0.0 OUTLIER -153.71 159.51 42.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 72.310000000000002 109.313 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.571 ' HB3' HG22 ' A' ' 32' ' ' ILE . 7.0 mtp180 -105.13 95.56 5.93 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.453 1.095 . . . . 73.310000000000002 110.289 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.528 ' HD3' ' CZ ' ' A' ' 5' ' ' PHE . 2.1 tptt -165.44 105.92 0.75 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.116 . . . . 65.409999999999997 109.274 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.613 ' HE2' HG12 ' A' ' 63' ' ' VAL . 15.4 m-85 -135.18 116.93 15.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 72.340000000000003 110.963 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.521 HD12 ' NZ ' ' A' ' 48' ' ' LYS . 0.3 OUTLIER -104.08 77.88 1.47 Allowed 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.503 1.127 . . . . 74.329999999999998 109.296 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.664 HG11 ' HD1' ' A' ' 60' ' ' PHE . 14.0 m -77.8 150.7 78.92 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.591 1.182 . . . . 63.399999999999999 109.312 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.01 -179.46 5.01 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.492 1.785 . . . . 72.439999999999998 111.02 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -93.77 17.9 11.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.146 . . . . 72.450000000000003 109.392 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -118.81 -38.19 3.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.545 1.153 . . . . 72.409999999999997 109.276 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.427 ' HG ' ' CB ' ' A' ' 59' ' ' GLN . 1.1 tp -58.38 135.79 57.29 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.484 1.115 . . . . 73.349999999999994 109.297 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 1.2 p -93.75 -173.45 3.16 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.144 . . . . 33.539999999999999 110.347 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 2.4 t -72.69 -49.83 38.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.527 1.142 . . . . 60.439999999999998 109.29 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -65.25 -9.61 43.25 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.502 1.126 . . . . 73.230000000000004 111.001 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' GLN . . . . . 0.427 ' CB ' ' HG ' ' A' ' 55' ' ' LEU . 7.8 mt-30 -95.94 -26.55 15.54 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.458 0.74 . . . . 74.530000000000001 110.317 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.664 ' HD1' HG11 ' A' ' 51' ' ' VAL . 77.1 t80 -71.42 -50.22 34.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 73.030000000000001 111.002 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.746 HG22 ' CG1' ' A' ' 78' ' ' ILE . 59.7 t -40.57 -49.82 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 73.010000000000005 109.303 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -44.2 -44.12 7.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 74.540000000000006 111.042 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.748 HG21 ' HA ' ' B' ' 630' ' ' ALA . 57.1 t -61.76 -36.63 74.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.13 . . . . 65.319999999999993 109.298 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.61 ' N ' HD13 ' A' ' 64' ' ' ILE . 2.5 mm -71.61 -40.12 70.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.41 1.068 . . . . 74.049999999999997 109.301 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 5.5 tpp85 -70.59 -5.36 28.65 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.503 1.127 . . . . 63.25 110.339 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 3.0 mttm -90.81 -48.97 6.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 71.450000000000003 109.332 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' ARG . . . . . 0.443 ' HA ' ' NE ' ' A' ' 67' ' ' ARG . 6.6 mmp_? -54.44 -65.16 0.62 Allowed 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.546 1.154 . . . . 74.150000000000006 110.237 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.494 ' O ' ' CG ' ' A' ' 69' ' ' MET . 6.5 pt -74.08 -4.09 5.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 74.209999999999994 109.312 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' MET . . . . . 0.494 ' CG ' ' O ' ' A' ' 68' ' ' ILE . 8.7 ptp 43.32 39.24 2.0 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 64.340000000000003 110.952 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.533 HD12 ' HA ' ' A' ' 70' ' ' LEU . 5.6 tp -54.11 140.62 52.41 Favored Pre-proline 0 C--N 1.324 -0.527 0 O-C-N 124.523 1.139 . . . . 62.43 109.3 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.421 ' HD3' ' HA ' ' A' ' 70' ' ' LEU . 18.3 Cg_endo -75.06 167.02 27.9 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.521 1.801 . . . . 75.310000000000002 111.002 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.91 0.7 8.54 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.474 1.776 . . . . 73.310000000000002 111.04 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -96.2 -1.19 48.79 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.476 1.11 . . . . 75.109999999999999 110.246 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -112.48 179.78 3.89 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.127 . . . . 74.239999999999995 109.35 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -134.51 154.62 51.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 54.009999999999998 109.303 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.685 HD11 ' CD2' ' A' ' 109' ' ' TYR . 1.1 tt -152.44 117.71 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.104 . . . . 71.129999999999995 109.283 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 63.9 m-85 -116.74 141.41 48.24 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 70.230000000000004 111.011 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.746 ' CG1' HG22 ' A' ' 61' ' ' VAL . 3.0 mm -85.04 157.22 3.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 70.040000000000006 109.266 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' PHE . . . . . 0.445 ' N ' ' O ' ' A' ' 108' ' ' THR . 5.0 m-85 -151.21 123.62 8.37 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.443 1.089 . . . . 63.119999999999997 110.953 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.728 ' O ' HG22 ' A' ' 83' ' ' THR . 2.0 t -126.57 105.95 14.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.445 1.091 . . . . 75.209999999999994 109.295 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' ASN . . . . . 0.496 ' O ' ' CB ' ' A' ' 82' ' ' ASP . 3.3 m120 71.36 21.6 4.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.453 1.095 . . . . 74.420000000000002 109.29 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' ASP . . . . . 0.496 ' CB ' ' O ' ' A' ' 81' ' ' ASN . 9.0 t0 81.92 21.88 0.29 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.562 1.164 . . . . 75.129999999999995 109.293 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 83' ' ' THR . . . . . 0.728 HG22 ' O ' ' A' ' 80' ' ' VAL . 1.1 t -124.58 141.31 52.19 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.456 1.098 . . . . 74.25 110.392 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.448 ' CD1' ' O ' ' A' ' 78' ' ' ILE . 0.2 OUTLIER -101.32 107.91 52.78 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.482 1.113 . . . . 64.219999999999999 109.27 -179.934 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 163.38 35.35 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.497 1.788 . . . . 73.140000000000001 110.992 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' PRO . . . . . 0.766 ' HG2' ' HB2' ' A' ' 89' ' ' ALA . 18.4 Cg_endo -74.98 -168.21 0.49 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.486 1.782 . . . . 70.439999999999998 111.044 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 2.6 p -96.43 -35.22 11.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 62.409999999999997 110.402 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -83.82 6.95 19.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 71.439999999999998 109.282 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 1.031 ' HB1' HD11 ' A' ' 94' ' ' ILE . . . -76.34 60.77 1.58 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.533 1.146 . . . . 73.430000000000007 109.233 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.601 ' C ' ' O ' ' A' ' 89' ' ' ALA . 0.4 OUTLIER -23.86 123.31 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.45 1.094 . . . . 71.209999999999994 109.235 179.923 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 91' ' ' MET . . . . . 0.402 ' HE2' HG21 ' A' ' 51' ' ' VAL . 40.8 mmm -51.62 -20.22 1.9 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.521 1.138 . . . . 71.209999999999994 110.931 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 6.6 t -69.81 -45.63 67.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 61.219999999999999 110.048 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -78.25 -8.46 58.38 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.119 . . . . 70.439999999999998 109.35 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 1.031 HD11 ' HB1' ' A' ' 89' ' ' ALA . 21.9 mm -87.03 -48.4 15.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 61.530000000000001 109.304 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 95' ' ' TYR . . . . . 0.82 ' CD2' HD23 ' A' ' 105' ' ' LEU . 4.1 t80 -70.52 -6.19 34.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 52.140000000000001 111.035 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 96' ' ' GLN . . . . . 0.415 ' O ' ' CG ' ' A' ' 96' ' ' GLN . 27.2 tp60 -95.86 -12.74 24.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.441 1.088 . . . . 73.329999999999998 110.298 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -121.78 -6.14 9.1 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.467 1.105 . . . . 70.129999999999995 110.312 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 98' ' ' HIS . . . . . 0.7 ' HB2' HD11 ' A' ' 105' ' ' LEU . 31.8 m170 -121.29 14.44 11.26 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.542 1.151 . . . . 62.030000000000001 109.584 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.519 ' HB3' ' O ' ' A' ' 95' ' ' TYR . 0.0 OUTLIER -70.61 157.04 38.64 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.469 1.105 . . . . 60.420000000000002 109.278 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 100' ' ' ASP . . . . . 0.448 ' O ' ' N ' ' A' ' 103' ' ' GLY . 0.4 OUTLIER -130.88 173.61 10.79 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.494 1.121 . . . . 64.510000000000005 109.257 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 43.6 mtmt -48.64 -41.1 30.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 74.239999999999995 109.283 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 102' ' ' ASP . . . . . 0.486 ' HB3' ' CE2' ' A' ' 11' ' ' PHE . 0.3 OUTLIER -63.5 -32.25 73.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.452 1.095 . . . . 52.350000000000001 109.314 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 103' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 100' ' ' ASP . . . 101.56 -39.44 2.75 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.504 1.128 . . . . 42.140000000000001 111.031 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 104' ' ' PHE . . . . . 0.654 ' CE2' ' NH2' ' A' ' 14' ' ' ARG . 21.2 m-85 -68.09 145.56 54.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 0.767 . . . . 73.230000000000004 111.002 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.82 HD23 ' CD2' ' A' ' 95' ' ' TYR . 0.2 OUTLIER -80.28 162.47 24.57 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.402 1.064 . . . . 74.420000000000002 109.256 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 31.0 m-85 -140.98 88.64 2.19 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 64.400000000000006 110.99 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 107' ' ' VAL . . . . . 0.551 HG13 ' HA ' ' A' ' 33' ' ' CYS . 9.9 p -94.05 169.06 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.514 1.134 . . . . 71.319999999999993 109.274 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 108' ' ' THR . . . . . 0.944 HG23 ' HB3' ' A' ' 34' ' ' GLU . 0.2 OUTLIER -153.88 130.78 10.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 74.209999999999994 110.422 -179.952 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 109' ' ' TYR . . . . . 0.685 ' CD2' HD11 ' A' ' 76' ' ' ILE . 45.3 p90 -114.42 143.66 44.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.594 1.184 . . . . 63.539999999999999 110.972 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 18.8 t -146.79 141.93 27.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 73.5 110.018 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -64.33 -10.43 41.92 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.528 1.142 . . . . 54.340000000000003 110.991 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -110.92 130.92 55.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.413 0.714 . . . . 65.25 110.284 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 113' ' ' ASN . . . . . 0.4 ' CG ' ' O ' ' A' ' 113' ' ' ASN . 46.1 t-20 . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.544 1.153 . . . . 71.129999999999995 109.279 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 629' ' ' ILE . . . . . 0.543 ' C ' HD12 ' B' ' 629' ' ' ILE . 1.3 pp . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.262 -0.644 . . . . 61.409999999999997 109.262 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 630' ' ' ALA . . . . . 0.748 ' HA ' HG21 ' A' ' 63' ' ' VAL . . . . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 73.25 109.288 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.442 ' OG1' ' N ' ' A' ' 5' ' ' PHE . 69.9 p . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 110.441 -0.207 . . . . 74.439999999999998 110.441 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' PHE . . . . . 0.603 ' CE2' ' OH ' ' A' ' 9' ' ' TYR . 56.1 t80 -52.74 -26.33 13.79 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.504 1.127 . . . . 75.109999999999999 111.039 179.895 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.441 ' HE3' ' CE1' ' A' ' 106' ' ' TYR . 29.0 tttm -100.72 -20.6 15.52 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.593 1.183 . . . . 72.109999999999999 109.358 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 39.1 t -83.09 5.12 23.55 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.539 1.149 . . . . 63.350000000000001 110.043 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -90.49 -64.1 1.18 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.642 1.214 . . . . 75.049999999999997 110.292 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' TYR . . . . . 0.603 ' OH ' ' CE2' ' A' ' 5' ' ' PHE . 22.3 p90 -105.84 164.19 15.52 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.613 1.196 . . . . 62.130000000000003 111.012 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 171.16 18.86 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.486 1.782 . . . . 44.439999999999998 110.989 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.578 ' CE2' ' HB3' ' A' ' 102' ' ' ASP . 2.3 t80 -58.5 -34.88 71.43 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.585 1.178 . . . . 73.120000000000005 110.983 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -62.72 -12.32 23.1 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.517 1.136 . . . . 72.25 110.25 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.573 ' HB3' ' CD2' ' A' ' 9' ' ' TYR . 0.0 OUTLIER -93.75 -15.01 25.62 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.486 1.116 . . . . 72.310000000000002 109.388 179.983 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.594 ' NH2' ' CE2' ' A' ' 5' ' ' PHE . 3.9 ttm105 -97.32 -39.59 9.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 72.400000000000006 110.322 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 27.6 pttt -64.57 -38.8 92.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 63.020000000000003 109.26 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -77.81 -14.94 59.42 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.499 1.124 . . . . 52.130000000000003 109.236 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 77.3 tt0 -75.43 -48.5 22.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 64.25 110.311 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.1 -9.92 55.08 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.408 1.067 . . . . 73.400000000000006 110.109 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 -73.03 -25.86 61.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 72.310000000000002 110.243 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.405 ' HG3' ' N ' ' A' ' 21' ' ' ILE . 3.7 ptp180 -100.57 -32.54 10.72 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.532 1.145 . . . . 74.030000000000001 110.253 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.405 ' N ' ' HG3' ' A' ' 20' ' ' ARG . 4.8 mt -66.83 -17.53 22.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 70.129999999999995 109.32 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -76.61 -17.63 59.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 53.32 109.213 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -105.66 -16.82 14.59 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 74.040000000000006 109.315 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 2.8 mmm180 -95.34 -60.73 1.61 Allowed 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.463 1.102 . . . . 72.200000000000003 110.328 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.431 ' HB3' ' CG ' ' A' ' 28' ' ' ARG . 4.0 m-85 -122.11 80.74 43.65 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.561 1.163 . . . . 64.319999999999993 111.024 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 -32.05 5.82 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.427 1.751 . . . . 74.200000000000003 111.024 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 12.5 m-20 -91.28 39.07 0.99 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.436 1.085 . . . . 72.439999999999998 109.315 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.511 ' NH1' HD23 ' A' ' 50' ' ' LEU . 9.1 mmt85 -127.45 174.91 8.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 75.129999999999995 110.377 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.429 HG23 ' CB ' ' A' ' 95' ' ' TYR . 30.5 mm -137.11 99.39 9.97 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.127 . . . . 73.209999999999994 109.262 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.6 ' HD2' ' CE2' ' A' ' 95' ' ' TYR . 18.2 Cg_endo -75.06 118.9 5.41 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.425 1.75 . . . . 64.019999999999996 110.973 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.714 ' O ' HD13 ' A' ' 32' ' ' ILE . 1.4 m -134.11 172.15 16.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.466 1.104 . . . . 75.340000000000003 109.266 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.714 HD13 ' O ' ' A' ' 31' ' ' VAL . 5.0 mm -140.97 107.52 2.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.559 1.162 . . . . 65.239999999999995 109.278 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.471 ' HG ' ' HD1' ' A' ' 109' ' ' TYR . 1.0 OUTLIER -92.44 136.36 33.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.545 1.153 . . . . 43.200000000000003 108.264 -179.961 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.895 ' CB ' HH21 ' A' ' 47' ' ' ARG . 8.4 tm-20 -140.27 153.3 46.45 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.568 1.167 . . . . 74.129999999999995 110.302 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.444 ' NZ ' ' O ' ' A' ' 39' ' ' SER . 0.0 OUTLIER -82.89 128.03 34.05 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.58 1.175 . . . . 74.109999999999999 109.327 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.556 ' HB3' ' HB2' ' A' ' 110' ' ' SER . . . -76.87 112.08 13.09 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.467 1.105 . . . . 61.539999999999999 109.258 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.47 ' CG ' ' N ' ' A' ' 38' ' ' LYS . 14.1 pt-20 -42.6 -48.37 5.4 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.505 1.128 . . . . 72.099999999999994 110.299 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.47 ' N ' ' CG ' ' A' ' 37' ' ' GLU . 0.0 OUTLIER -42.38 -43.85 3.72 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.522 1.138 . . . . 70.129999999999995 109.332 179.938 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.444 ' O ' ' NZ ' ' A' ' 35' ' ' LYS . 0.2 OUTLIER -62.21 166.36 4.96 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.559 1.162 . . . . 61.219999999999999 109.98 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 10.0 t0 -120.14 27.21 8.77 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.476 1.11 . . . . 65.120000000000005 109.274 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.617 HD11 ' CE2' ' A' ' 109' ' ' TYR . 0.1 OUTLIER -92.21 171.28 7.89 Favored Pre-proline 0 C--N 1.323 -0.572 0 O-C-N 124.606 1.191 . . . . 75.430000000000007 109.349 179.912 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 123.08 7.61 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.586 1.835 . . . . 64.400000000000006 110.976 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -60.71 152.93 25.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 74.430000000000007 110.273 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.489 ' CD1' ' OH ' ' A' ' 49' ' ' TYR . 10.7 tt -83.16 161.62 3.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 73.530000000000001 109.238 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' ASP . . . . . 0.442 ' N ' HG12 ' A' ' 44' ' ' ILE . 1.0 OUTLIER -62.77 -49.91 73.12 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.425 1.078 . . . . 74.129999999999995 109.264 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.449 ' C ' ' CD ' ' A' ' 46' ' ' LYS . 0.0 OUTLIER -149.38 164.97 33.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 72.310000000000002 109.267 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.895 HH21 ' CB ' ' A' ' 34' ' ' GLU . 0.9 OUTLIER -109.45 95.33 5.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.105 . . . . 73.310000000000002 110.341 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.574 ' HB2' ' CD2' ' A' ' 5' ' ' PHE . 8.6 tptp -165.93 108.48 0.77 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.447 1.092 . . . . 65.409999999999997 109.335 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.708 ' CE2' HD13 ' A' ' 64' ' ' ILE . 43.9 m-85 -135.27 124.99 25.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.117 . . . . 72.340000000000003 110.962 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.511 HD23 ' NH1' ' A' ' 28' ' ' ARG . 0.4 OUTLIER -111.61 78.05 1.09 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 74.329999999999998 109.317 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.909 HG21 ' SD ' ' A' ' 91' ' ' MET . 28.4 m -77.51 150.13 79.14 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.114 . . . . 63.399999999999999 109.29 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' PRO . . . . . 0.52 ' HD3' ' HB1' ' B' ' 630' ' ' ALA . 18.2 Cg_endo -75.04 -178.09 3.93 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.484 1.781 . . . . 72.439999999999998 110.98 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -93.44 18.48 9.73 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.545 1.153 . . . . 72.450000000000003 109.272 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 18.8 m-20 -121.09 -38.86 2.76 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 72.409999999999997 109.255 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.431 ' HG ' ' CB ' ' A' ' 59' ' ' GLN . 0.9 OUTLIER -56.25 129.09 38.83 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.527 1.142 . . . . 73.349999999999994 109.296 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 56' ' ' THR . . . . . 1.001 HG22 ' CD2' ' A' ' 90' ' ' LEU . 5.0 p -90.65 177.0 6.46 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.457 1.098 . . . . 33.539999999999999 110.38 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.44 ' O ' HG23 ' A' ' 61' ' ' VAL . 2.8 t -64.9 -43.27 96.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 60.439999999999998 109.268 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -70.73 -7.86 62.44 Favored Glycine 0 CA--C 1.528 0.897 0 O-C-N 124.422 1.077 . . . . 73.230000000000004 111.038 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' GLN . . . . . 0.431 ' CB ' ' HG ' ' A' ' 55' ' ' LEU . 8.7 mt-30 -99.26 -23.88 15.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.449 0.735 . . . . 74.530000000000001 110.226 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.724 ' CD1' HG11 ' A' ' 51' ' ' VAL . 16.0 t80 -77.41 -53.35 7.76 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.518 1.136 . . . . 73.030000000000001 110.936 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.669 HG22 ' CG1' ' A' ' 78' ' ' ILE . 50.8 t -39.24 -36.13 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.423 1.077 . . . . 73.010000000000005 109.315 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.547 ' CG ' ' N ' ' A' ' 63' ' ' VAL . 0.4 OUTLIER -58.25 -66.4 0.49 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.531 1.144 . . . . 74.540000000000006 111.016 -179.972 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.742 HG11 ' C ' ' B' ' 629' ' ' ILE . 77.0 t -44.01 -32.86 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.45 1.094 . . . . 65.319999999999993 109.234 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.708 HD13 ' CE2' ' A' ' 49' ' ' TYR . 28.7 mm -69.28 -65.3 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.403 1.064 . . . . 74.049999999999997 109.35 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.457 ' O ' ' N ' ' A' ' 69' ' ' MET . 4.2 tpp85 -44.86 -25.83 0.34 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.458 1.099 . . . . 63.25 110.284 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.445 ' HD3' ' CD1' ' A' ' 62' ' ' TYR . 0.0 OUTLIER -71.79 -44.95 63.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 71.450000000000003 109.237 -179.936 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 67' ' ' ARG . . . . . 0.446 ' N ' ' O ' ' A' ' 64' ' ' ILE . 0.2 OUTLIER -57.92 -39.76 78.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 74.150000000000006 110.305 -179.984 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.679 HD11 ' CD1' ' A' ' 76' ' ' ILE . 3.3 pt -101.32 6.6 9.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.523 1.14 . . . . 74.209999999999994 109.336 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' MET . . . . . 0.457 ' N ' ' O ' ' A' ' 65' ' ' ARG . 0.0 OUTLIER 33.89 36.15 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.565 1.166 . . . . 64.340000000000003 110.95 -179.976 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.493 HD12 ' HA ' ' A' ' 70' ' ' LEU . 5.4 tp -50.74 140.54 19.43 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 62.43 109.303 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' ' 70' ' ' LEU . 18.3 Cg_endo -75.02 167.7 26.44 Favored 'Trans proline' 0 C--N 1.359 1.102 0 O-C-N 124.555 1.818 . . . . 75.310000000000002 110.963 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 0.62 8.7 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.527 1.803 . . . . 73.310000000000002 110.966 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -97.58 5.24 49.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.413 1.071 . . . . 75.109999999999999 110.252 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -124.26 -179.02 4.28 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.514 1.134 . . . . 74.239999999999995 109.299 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -140.18 171.96 13.42 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.524 1.14 . . . . 54.009999999999998 109.296 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.724 HD11 ' CD2' ' A' ' 109' ' ' TYR . 1.4 tt -163.12 114.32 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 71.129999999999995 109.324 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.679 ' HB3' HD21 ' A' ' 84' ' ' LEU . 66.6 m-85 -110.58 137.46 48.24 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.48 1.112 . . . . 70.230000000000004 111.067 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.678 ' O ' HD23 ' A' ' 84' ' ' LEU . 7.5 mm -84.59 132.41 31.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.108 . . . . 70.040000000000006 109.315 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -123.39 123.7 41.27 Favored 'General case' 0 C--N 1.323 -0.563 0 O-C-N 124.53 1.144 . . . . 63.119999999999997 111.062 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.751 ' O ' HG22 ' A' ' 83' ' ' THR . 2.2 t -126.97 107.19 16.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.533 1.145 . . . . 75.209999999999994 109.265 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' ASN . . . . . 0.497 ' O ' ' CB ' ' A' ' 82' ' ' ASP . 2.2 m120 68.91 21.07 7.69 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.413 1.071 . . . . 74.420000000000002 109.325 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' ASP . . . . . 0.497 ' CB ' ' O ' ' A' ' 81' ' ' ASN . 1.8 m-20 82.04 24.08 0.22 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.125 . . . . 75.129999999999995 109.278 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 83' ' ' THR . . . . . 0.751 HG22 ' O ' ' A' ' 80' ' ' VAL . 1.2 t -127.09 142.63 51.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.43 1.081 . . . . 74.25 110.408 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.679 HD21 ' HB3' ' A' ' 77' ' ' PHE . 2.0 mt -101.38 108.15 53.97 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 64.219999999999999 109.278 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -74.91 155.74 43.38 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.514 1.797 . . . . 73.140000000000001 110.944 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' PRO . . . . . 0.735 ' HD2' ' HB2' ' A' ' 89' ' ' ALA . 18.6 Cg_endo -74.96 177.68 8.25 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.477 1.777 . . . . 70.439999999999998 110.966 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 8.6 p -78.89 -32.77 45.97 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.561 1.163 . . . . 62.409999999999997 110.32 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -80.53 3.47 21.56 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.562 1.164 . . . . 71.439999999999998 109.32 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 1.061 ' HB1' HD11 ' A' ' 94' ' ' ILE . . . -75.94 60.58 1.39 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 73.430000000000007 109.4 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 1.001 ' CD2' HG22 ' A' ' 56' ' ' THR . 14.7 mt -31.12 120.46 0.22 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.461 1.1 . . . . 71.209999999999994 109.274 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 91' ' ' MET . . . . . 0.909 ' SD ' HG21 ' A' ' 51' ' ' VAL . 0.0 OUTLIER -34.7 -36.82 0.05 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 71.209999999999994 110.969 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 92' ' ' SER . . . . . 0.419 ' N ' ' O ' ' A' ' 90' ' ' LEU . 7.3 t -58.9 -59.18 5.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 61.219999999999999 109.999 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -59.2 -16.05 18.39 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.459 1.099 . . . . 70.439999999999998 109.229 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 1.061 HD11 ' HB1' ' A' ' 89' ' ' ALA . 19.0 mm -86.43 -38.31 12.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.553 1.158 . . . . 61.530000000000001 109.344 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 95' ' ' TYR . . . . . 0.806 ' CD2' HD23 ' A' ' 105' ' ' LEU . 9.3 t80 -80.42 -6.06 57.48 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 52.140000000000001 110.976 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 96' ' ' GLN . . . . . 0.444 ' O ' ' CG ' ' A' ' 96' ' ' GLN . 1.5 tt0 -101.67 -10.38 20.06 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.47 1.106 . . . . 73.329999999999998 110.308 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -119.31 -8.17 10.13 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.135 . . . . 70.129999999999995 110.307 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 98' ' ' HIS . . . . . 0.428 ' HB2' HD11 ' A' ' 105' ' ' LEU . 31.5 m170 -127.7 16.83 6.93 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.101 . . . . 62.030000000000001 109.653 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.469 ' HB3' ' O ' ' A' ' 95' ' ' TYR . 0.0 OUTLIER -57.74 157.66 7.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.099 . . . . 60.420000000000002 109.34 179.938 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -128.56 173.08 10.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 64.510000000000005 109.352 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 13.1 mtpt -58.65 -38.9 79.14 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.447 1.092 . . . . 74.239999999999995 109.279 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 102' ' ' ASP . . . . . 0.578 ' HB3' ' CE2' ' A' ' 11' ' ' PHE . 0.4 OUTLIER -71.65 -12.36 61.3 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 52.350000000000001 109.343 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 103' ' ' GLY . . . . . 0.478 ' O ' ' CZ ' ' A' ' 95' ' ' TYR . . . 88.06 -39.49 3.11 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.562 1.164 . . . . 42.140000000000001 110.927 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 104' ' ' PHE . . . . . 0.572 ' CD1' ' HG2' ' A' ' 14' ' ' ARG . 15.5 m-85 -60.83 156.31 17.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.569 0.805 . . . . 73.230000000000004 110.926 -179.881 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.806 HD23 ' CD2' ' A' ' 95' ' ' TYR . 0.2 OUTLIER -96.64 146.94 24.39 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.454 1.096 . . . . 74.420000000000002 109.238 -179.944 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 106' ' ' TYR . . . . . 0.441 ' CE1' ' HE3' ' A' ' 6' ' ' LYS . 78.9 m-85 -124.7 96.43 4.89 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.474 1.109 . . . . 64.400000000000006 110.944 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 107' ' ' VAL . . . . . 0.704 HG23 HG22 ' A' ' 80' ' ' VAL . 11.2 p -108.86 171.55 2.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.517 1.135 . . . . 71.319999999999993 109.284 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 108' ' ' THR . . . . . 0.527 ' H ' HG22 ' A' ' 107' ' ' VAL . 0.6 OUTLIER -153.21 163.62 39.56 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.533 1.145 . . . . 74.209999999999994 110.468 179.912 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 109' ' ' TYR . . . . . 0.724 ' CD2' HD11 ' A' ' 76' ' ' ILE . 23.6 p90 -141.21 138.37 33.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 63.539999999999999 110.967 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 110' ' ' SER . . . . . 0.556 ' HB2' ' HB3' ' A' ' 36' ' ' ALA . 38.2 t -138.29 120.48 15.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.546 1.153 . . . . 73.5 110.004 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 111' ' ' GLY . . . . . 0.453 ' H ' HG21 ' A' ' 41' ' ' ILE . . . -38.76 -31.59 0.13 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.571 1.169 . . . . 54.340000000000003 111.005 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 -99.68 151.1 21.6 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.468 0.746 . . . . 65.25 110.333 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 113' ' ' ASN . . . . . 0.538 HD21 HD13 ' A' ' 84' ' ' LEU . 35.8 t-20 . . . . . 0 C--N 1.324 -0.516 0 O-C-N 124.447 1.092 . . . . 71.129999999999995 109.313 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 629' ' ' ILE . . . . . 0.742 ' C ' HG11 ' A' ' 63' ' ' VAL . 1.3 pp . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.291 -0.633 . . . . 61.409999999999997 109.291 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 630' ' ' ALA . . . . . 0.695 ' CA ' HG21 ' A' ' 63' ' ' VAL . . . . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.496 1.122 . . . . 73.25 109.352 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.884 HG23 HH21 ' A' ' 47' ' ' ARG . 23.0 p . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 110.385 -0.228 . . . . 74.439999999999998 110.385 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' PHE . . . . . 0.597 ' CZ ' ' OH ' ' A' ' 9' ' ' TYR . 6.1 t80 -63.68 -33.26 75.23 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.453 1.095 . . . . 75.109999999999999 110.924 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.532 ' NZ ' ' CE1' ' A' ' 106' ' ' TYR . 0.1 OUTLIER -78.68 -37.56 41.44 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.551 1.157 . . . . 72.109999999999999 109.289 -179.976 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 1.9 t -69.84 -23.5 63.3 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.526 1.141 . . . . 63.350000000000001 109.986 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' GLU . . . . . 0.456 ' HB3' ' CD1' ' A' ' 9' ' ' TYR . 7.2 tp10 -44.04 -58.14 2.98 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.564 1.165 . . . . 75.049999999999997 110.349 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' TYR . . . . . 0.597 ' OH ' ' CZ ' ' A' ' 5' ' ' PHE . 1.2 p90 -120.19 166.07 16.25 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.601 1.188 . . . . 62.130000000000003 110.999 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' PRO . . . . . 0.478 ' HA ' ' NH2' ' A' ' 14' ' ' ARG . 18.4 Cg_endo -75.0 171.69 17.84 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.41 1.742 . . . . 44.439999999999998 111.066 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.457 ' O ' ' N ' ' A' ' 14' ' ' ARG . 12.3 t80 -55.83 -55.44 32.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 73.120000000000005 110.976 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -39.42 -29.58 0.05 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 72.25 110.264 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.424 ' N ' ' O ' ' A' ' 11' ' ' PHE . 4.1 tppt? -82.65 -49.29 9.97 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.468 1.105 . . . . 72.310000000000002 109.297 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.478 ' NH2' ' HA ' ' A' ' 10' ' ' PRO . 11.6 mtt180 -56.44 -27.33 56.43 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.46 1.1 . . . . 72.400000000000006 110.302 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 23.5 pttt -82.79 -44.17 15.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.444 1.09 . . . . 63.020000000000003 109.332 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.65 -30.11 71.13 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.459 1.099 . . . . 52.130000000000003 109.311 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 30.1 tp10 -72.74 -58.91 2.99 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.466 1.104 . . . . 64.25 110.386 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.594 ' OG ' ' CD2' ' A' ' 104' ' ' PHE . 0.9 OUTLIER -56.32 -18.27 10.27 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.484 1.115 . . . . 73.400000000000006 109.998 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -69.91 -33.15 71.81 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.466 1.104 . . . . 72.310000000000002 110.372 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 26.7 mtm180 -89.76 -36.5 15.12 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.486 1.116 . . . . 74.030000000000001 110.347 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 13.0 mt -58.05 -21.84 17.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 70.129999999999995 109.29 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -74.65 -27.19 60.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 53.32 109.346 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -91.25 -19.78 22.64 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.123 . . . . 74.040000000000006 109.315 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.602 ' O ' ' CD1' ' A' ' 25' ' ' PHE . 5.6 mtp85 -90.39 -31.82 16.7 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.456 1.097 . . . . 72.200000000000003 110.277 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.602 ' CD1' ' O ' ' A' ' 24' ' ' ARG . 5.8 m-85 -153.19 86.45 4.07 Favored Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.433 1.083 . . . . 64.319999999999993 111.074 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -16.39 20.17 Favored 'Trans proline' 0 C--N 1.361 1.215 0 O-C-N 124.481 1.779 . . . . 74.200000000000003 110.977 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.1 p30 -109.91 49.85 0.82 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 72.439999999999998 109.356 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.729 ' HB3' HD11 ' A' ' 50' ' ' LEU . 5.0 mmt-85 -134.63 -178.17 4.94 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 75.129999999999995 110.358 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.607 HG23 ' CB ' ' A' ' 95' ' ' TYR . 37.1 mm -145.27 97.4 4.76 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 73.209999999999994 109.255 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.585 ' HD2' ' CE2' ' A' ' 95' ' ' TYR . 18.2 Cg_endo -74.95 124.21 8.48 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.522 1.801 . . . . 64.019999999999996 110.963 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.511 HG22 ' O ' ' A' ' 49' ' ' TYR . 0.7 OUTLIER -134.17 173.34 14.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.435 1.085 . . . . 75.340000000000003 109.279 179.963 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.456 HD13 ' O ' ' A' ' 31' ' ' VAL . 6.4 mm -137.88 103.6 2.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.547 1.154 . . . . 65.239999999999995 109.305 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.504 ' HA ' HG22 ' A' ' 107' ' ' VAL . 0.5 OUTLIER -75.56 129.05 36.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.445 1.091 . . . . 43.200000000000003 108.271 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.665 ' HB3' HG23 ' A' ' 108' ' ' THR . 5.7 tm-20 -121.26 163.82 17.97 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.544 1.152 . . . . 74.129999999999995 110.198 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.569 ' HG2' ' CE1' ' A' ' 109' ' ' TYR . 0.0 OUTLIER -121.09 112.53 18.81 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.451 1.095 . . . . 74.109999999999999 109.269 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -51.32 166.43 0.11 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.555 1.16 . . . . 61.539999999999999 109.332 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.408 ' CG ' ' N ' ' A' ' 38' ' ' LYS . 14.9 pt-20 -92.36 -48.39 6.69 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.582 1.176 . . . . 72.099999999999994 110.259 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.408 ' N ' ' CG ' ' A' ' 37' ' ' GLU . 53.6 mttm -56.49 -23.16 37.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 70.129999999999995 109.339 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.2 t -57.5 155.87 8.89 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.505 1.128 . . . . 61.219999999999999 109.961 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -115.58 13.83 16.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.133 . . . . 65.120000000000005 109.323 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.605 HD11 ' CE1' ' A' ' 109' ' ' TYR . 0.1 OUTLIER -90.92 163.5 29.44 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.501 1.125 . . . . 75.430000000000007 109.327 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 42' ' ' PRO . . . . . 0.477 ' O ' HG21 ' A' ' 68' ' ' ILE . 18.4 Cg_endo -74.91 130.71 13.63 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.589 1.836 . . . . 64.400000000000006 111.068 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -62.76 146.63 52.01 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 74.430000000000007 110.336 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.797 HD11 ' OH ' ' A' ' 49' ' ' TYR . 5.4 tt -72.54 172.68 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.545 1.153 . . . . 73.530000000000001 109.286 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -74.68 -45.75 42.39 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.448 1.092 . . . . 74.129999999999995 109.373 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.517 ' N ' ' CD ' ' A' ' 46' ' ' LYS . 0.0 OUTLIER -153.08 161.83 42.04 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.471 1.107 . . . . 72.310000000000002 109.311 179.956 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.884 HH21 HG23 ' A' ' 4' ' ' THR . 12.8 mtt-85 -108.42 94.79 5.25 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.435 1.084 . . . . 73.310000000000002 110.265 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.568 ' HB2' ' CD1' ' A' ' 5' ' ' PHE . 3.0 tptt -167.31 108.72 0.63 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 65.409999999999997 109.362 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.797 ' OH ' HD11 ' A' ' 44' ' ' ILE . 53.5 m-85 -140.94 113.47 8.13 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.448 1.092 . . . . 72.340000000000003 111.03 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.729 HD11 ' HB3' ' A' ' 28' ' ' ARG . 35.4 tp -100.62 78.15 1.96 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.344 1.028 . . . . 74.329999999999998 109.315 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.709 HG21 ' HE2' ' A' ' 91' ' ' MET . 16.4 m -72.79 153.17 91.32 Favored Pre-proline 0 C--N 1.324 -0.531 0 O-C-N 124.472 1.107 . . . . 63.399999999999999 109.262 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 178.48 7.19 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.49 1.784 . . . . 72.439999999999998 111.005 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.509 ' HB1' ' HB2' ' A' ' 92' ' ' SER . . . -90.71 18.66 6.17 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.497 1.123 . . . . 72.450000000000003 109.3 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.444 ' N ' ' OD1' ' A' ' 54' ' ' ASP . 0.0 OUTLIER -120.65 -38.84 2.81 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.521 1.138 . . . . 72.409999999999997 109.253 -179.922 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.823 HD13 ' HB1' ' B' ' 630' ' ' ALA . 0.5 OUTLIER -59.55 132.87 55.3 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.517 1.135 . . . . 73.349999999999994 109.249 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.574 HG22 ' CD1' ' A' ' 90' ' ' LEU . 3.0 p -91.93 -173.45 3.49 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.473 1.108 . . . . 33.539999999999999 110.31 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 2.8 t -74.41 -42.37 49.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 60.439999999999998 109.271 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -73.5 -5.74 68.76 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.505 1.128 . . . . 73.230000000000004 111.045 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' GLN . . . . . 0.426 ' CB ' ' HG ' ' A' ' 55' ' ' LEU . 4.5 mm100 -98.18 -24.43 15.28 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.552 0.795 . . . . 74.530000000000001 110.265 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 1.04 ' CE1' HD11 ' A' ' 64' ' ' ILE . 1.6 t80 -79.23 -40.26 31.09 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.516 1.135 . . . . 73.030000000000001 111.031 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.783 HG13 ' CG2' ' A' ' 76' ' ' ILE . 88.3 t -53.66 -31.53 19.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 73.010000000000005 109.325 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.569 ' CE1' ' HD2' ' A' ' 66' ' ' LYS . 0.1 OUTLIER -59.11 -30.85 68.42 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.515 1.134 . . . . 74.540000000000006 111.057 179.942 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.517 HG21 ' C ' ' B' ' 630' ' ' ALA . 18.1 t -84.0 -46.06 18.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.13 . . . . 65.319999999999993 109.306 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 1.04 HD11 ' CE1' ' A' ' 60' ' ' PHE . 15.0 mm -60.61 -30.4 46.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 74.049999999999997 109.237 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 7.4 tpp85 -83.62 -3.44 57.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.397 1.061 . . . . 63.25 110.331 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.569 ' HD2' ' CE1' ' A' ' 62' ' ' TYR . 6.3 mttp -93.38 -49.1 6.1 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.522 1.138 . . . . 71.450000000000003 109.327 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 2.5 mmp_? -49.86 -66.14 0.44 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.541 1.151 . . . . 74.150000000000006 110.359 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.512 ' O ' ' CG ' ' A' ' 69' ' ' MET . 5.9 pt -73.68 -4.46 5.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.151 . . . . 74.209999999999994 109.231 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' MET . . . . . 0.512 ' CG ' ' O ' ' A' ' 68' ' ' ILE . 2.7 ptt? 42.97 44.05 3.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 64.340000000000003 110.935 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.448 HD12 ' HA ' ' A' ' 70' ' ' LEU . 5.0 tp -50.36 141.03 16.86 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.663 1.227 . . . . 62.43 109.294 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 167.8 26.23 Favored 'Trans proline' 0 C--N 1.361 1.213 0 O-C-N 124.392 1.733 . . . . 75.310000000000002 110.998 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 0.77 8.53 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.525 1.803 . . . . 73.310000000000002 110.996 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -97.99 2.64 49.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.143 . . . . 75.109999999999999 110.292 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -125.19 -178.94 4.37 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.514 1.134 . . . . 74.239999999999995 109.322 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -140.03 174.56 10.39 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.564 1.165 . . . . 54.009999999999998 109.318 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.783 ' CG2' HG13 ' A' ' 61' ' ' VAL . 1.2 tt -159.36 128.41 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.565 1.165 . . . . 71.129999999999995 109.315 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.751 ' HB3' HD11 ' A' ' 84' ' ' LEU . 58.6 m-85 -126.8 133.36 50.82 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.515 1.135 . . . . 70.230000000000004 110.98 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.598 HG23 ' CG2' ' A' ' 107' ' ' VAL . 5.2 mm -85.36 128.21 39.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.579 1.174 . . . . 70.040000000000006 109.328 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -118.76 120.21 36.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 63.119999999999997 110.999 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.622 HG22 ' OD1' ' A' ' 81' ' ' ASN . 9.1 p -121.39 106.33 18.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.384 1.052 . . . . 75.209999999999994 109.284 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 81' ' ' ASN . . . . . 0.622 ' OD1' HG22 ' A' ' 80' ' ' VAL . 6.4 m120 73.31 34.32 1.02 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 74.420000000000002 109.339 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 67.04 10.98 8.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 75.129999999999995 109.262 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' THR . . . . . 0.514 ' O ' ' CG2' ' A' ' 83' ' ' THR . 0.5 OUTLIER -121.71 110.8 16.39 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 74.25 110.417 -179.958 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.751 HD11 ' HB3' ' A' ' 77' ' ' PHE . 0.5 OUTLIER -73.66 113.91 27.22 Favored Pre-proline 0 C--N 1.326 -0.416 0 O-C-N 124.546 1.154 . . . . 64.219999999999999 109.311 -179.949 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 162.72 36.73 Favored 'Trans proline' 0 C--N 1.361 1.218 0 O-C-N 124.529 1.805 . . . . 73.140000000000001 111.012 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' PRO . . . . . 0.655 ' HG2' ' HB2' ' A' ' 89' ' ' ALA . 18.5 Cg_endo -75.02 -165.29 0.28 Allowed 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.455 1.766 . . . . 70.439999999999998 110.984 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 2.3 p -97.26 -34.37 11.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.14 . . . . 62.409999999999997 110.378 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -86.05 12.99 8.36 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 71.439999999999998 109.349 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 1.003 ' HB1' HD11 ' A' ' 94' ' ' ILE . . . -83.04 61.67 6.15 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.511 1.132 . . . . 73.430000000000007 109.214 -179.863 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.595 ' C ' ' O ' ' A' ' 89' ' ' ALA . 0.5 OUTLIER -23.73 117.09 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.59 1.181 . . . . 71.209999999999994 109.32 179.955 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 91' ' ' MET . . . . . 0.709 ' HE2' HG21 ' A' ' 51' ' ' VAL . 46.4 mmm -47.85 -22.93 0.63 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.397 1.061 . . . . 71.209999999999994 110.975 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 92' ' ' SER . . . . . 0.509 ' HB2' ' HB1' ' A' ' 53' ' ' ALA . 0.1 OUTLIER -69.92 -41.81 74.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.128 . . . . 61.219999999999999 110.055 179.913 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -81.7 -7.9 59.64 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.462 1.101 . . . . 70.439999999999998 109.329 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 1.003 HD11 ' HB1' ' A' ' 89' ' ' ALA . 21.2 mm -87.19 -49.03 15.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.115 . . . . 61.530000000000001 109.238 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 95' ' ' TYR . . . . . 0.851 ' CD2' HD23 ' A' ' 105' ' ' LEU . 7.8 t80 -69.97 -6.11 30.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 52.140000000000001 111.033 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 96' ' ' GLN . . . . . 0.451 ' O ' ' CG ' ' A' ' 96' ' ' GLN . 4.5 tp60 -101.64 -9.72 20.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.577 1.173 . . . . 73.329999999999998 110.244 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -118.69 -9.3 10.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 70.129999999999995 110.277 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 98' ' ' HIS . . . . . 0.407 ' HB2' HD11 ' A' ' 105' ' ' LEU . 32.4 m170 -128.28 17.54 6.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.445 1.09 . . . . 62.030000000000001 109.51 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.482 ' HB3' ' O ' ' A' ' 95' ' ' TYR . 0.0 OUTLIER -56.38 159.58 3.56 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.484 1.115 . . . . 60.420000000000002 109.298 179.973 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -127.9 173.48 9.97 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 64.510000000000005 109.327 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -60.88 -29.73 69.72 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.528 1.142 . . . . 74.239999999999995 109.214 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -86.58 -14.66 42.19 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.434 1.084 . . . . 52.350000000000001 109.297 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 103' ' ' GLY . . . . . 0.576 ' O ' ' CE2' ' A' ' 95' ' ' TYR . . . 87.71 -39.27 3.11 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.515 1.134 . . . . 42.140000000000001 111.003 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 104' ' ' PHE . . . . . 0.594 ' CD2' ' OG ' ' A' ' 18' ' ' SER . 9.5 m-85 -60.1 117.52 5.22 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.554 0.796 . . . . 73.230000000000004 111.048 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.851 HD23 ' CD2' ' A' ' 95' ' ' TYR . 0.2 OUTLIER -61.62 160.78 10.84 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.535 1.147 . . . . 74.420000000000002 109.294 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 106' ' ' TYR . . . . . 0.532 ' CE1' ' NZ ' ' A' ' 6' ' ' LYS . 52.4 m-85 -137.72 116.3 12.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.583 1.177 . . . . 64.400000000000006 110.921 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 107' ' ' VAL . . . . . 0.642 HG23 ' N ' ' A' ' 108' ' ' THR . 1.7 m -122.9 174.58 6.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.545 1.153 . . . . 71.319999999999993 109.342 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 108' ' ' THR . . . . . 0.665 HG23 ' HB3' ' A' ' 34' ' ' GLU . 1.1 m -148.97 106.89 3.69 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.512 1.132 . . . . 74.209999999999994 110.356 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 109' ' ' TYR . . . . . 0.726 ' CD1' HD11 ' A' ' 76' ' ' ILE . 14.8 p90 -94.81 122.42 37.41 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.593 1.183 . . . . 63.539999999999999 111.029 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -136.06 154.22 51.1 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.436 1.085 . . . . 73.5 109.959 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -77.7 2.13 64.77 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.531 1.144 . . . . 54.340000000000003 110.962 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -121.56 135.05 55.03 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.465 0.744 . . . . 65.25 110.321 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 20.4 t-20 . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.462 1.101 . . . . 71.129999999999995 109.302 -179.976 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 629' ' ' ILE . . . . . 0.491 ' C ' ' CD1' ' B' ' 629' ' ' ILE . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 109.255 -0.646 . . . . 61.409999999999997 109.255 . . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 630' ' ' ALA . . . . . 0.823 ' HB1' HD13 ' A' ' 55' ' ' LEU . . . . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.484 1.115 . . . . 73.25 109.278 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.466 ' OG1' ' N ' ' A' ' 5' ' ' PHE . 6.0 p . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 110.413 -0.217 . . . . 74.439999999999998 110.413 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' PHE . . . . . 0.614 ' CZ ' ' OH ' ' A' ' 9' ' ' TYR . 83.4 t80 -81.66 -15.89 53.1 Favored 'General case' 0 C--N 1.323 -0.577 0 O-C-N 124.572 1.17 . . . . 75.109999999999999 110.989 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.701 ' HB3' HH21 ' A' ' 47' ' ' ARG . 0.1 OUTLIER -101.1 -28.96 12.41 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.597 1.186 . . . . 72.109999999999999 109.32 179.955 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -81.36 4.79 19.49 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.551 1.157 . . . . 63.350000000000001 109.894 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' GLU . . . . . 0.464 ' HB3' ' CD1' ' A' ' 9' ' ' TYR . 51.5 tt0 -81.86 -58.74 2.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.564 1.165 . . . . 75.049999999999997 110.322 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' TYR . . . . . 0.614 ' OH ' ' CZ ' ' A' ' 5' ' ' PHE . 1.3 p90 -120.45 165.78 17.32 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.443 1.089 . . . . 62.130000000000003 110.967 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 179.48 6.05 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.49 1.784 . . . . 44.439999999999998 111.027 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.459 ' CE2' ' HB3' ' A' ' 102' ' ' ASP . 2.9 t80 -68.8 -43.73 75.03 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.456 1.097 . . . . 73.120000000000005 110.968 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -58.05 -16.0 11.31 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.425 1.078 . . . . 72.25 110.269 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 6.4 tppt? -95.72 -48.0 5.96 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.594 1.184 . . . . 72.310000000000002 109.365 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.662 ' NH1' ' CE1' ' A' ' 104' ' ' PHE . 0.0 OUTLIER -64.2 -24.44 67.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.455 1.097 . . . . 72.400000000000006 110.326 179.975 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.412 ' N ' ' HG3' ' A' ' 14' ' ' ARG . 53.5 pttt -74.14 -44.31 54.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.587 1.179 . . . . 63.020000000000003 109.358 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -57.28 -22.0 38.59 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.445 1.091 . . . . 52.130000000000003 109.264 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.405 ' HA ' ' OE1' ' A' ' 17' ' ' GLU . 5.1 tp10 -72.51 -47.59 47.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.096 . . . . 64.25 110.317 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.509 ' HB3' ' CE1' ' A' ' 104' ' ' PHE . 11.3 p -68.03 -11.36 58.81 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.538 1.149 . . . . 73.400000000000006 109.947 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -77.48 -26.09 51.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.564 1.165 . . . . 72.310000000000002 110.298 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 54.4 mtm180 -101.96 -33.68 9.65 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.479 1.112 . . . . 74.030000000000001 110.292 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 6.9 mt -59.82 -22.07 23.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.65 1.219 . . . . 70.129999999999995 109.318 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -77.95 -22.42 49.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 53.32 109.398 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -95.87 -14.15 23.4 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 74.040000000000006 109.341 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.421 ' CZ ' ' CZ ' ' A' ' 25' ' ' PHE . 10.1 mtm180 -97.67 -59.66 1.73 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 72.200000000000003 110.343 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.421 ' CZ ' ' CZ ' ' A' ' 24' ' ' ARG . 3.5 m-85 -126.15 85.3 59.98 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 64.319999999999993 111.045 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -26.81 10.67 Favored 'Trans proline' 0 C--N 1.359 1.102 0 O-C-N 124.528 1.804 . . . . 74.200000000000003 111.002 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 12.0 p30 -92.07 36.06 0.98 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.534 1.146 . . . . 72.439999999999998 109.323 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.553 ' HB3' HD11 ' A' ' 50' ' ' LEU . 4.1 mmt85 -122.54 175.78 6.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 75.129999999999995 110.254 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.654 HG23 ' CB ' ' A' ' 95' ' ' TYR . 28.3 mm -144.51 96.41 5.24 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 73.209999999999994 109.282 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.448 ' O ' ' HB2' ' A' ' 105' ' ' LEU . 18.6 Cg_endo -75.05 142.34 27.58 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.463 1.77 . . . . 64.019999999999996 111.029 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.859 HG23 ' HB3' ' A' ' 105' ' ' LEU . 6.3 p -161.58 147.35 4.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.13 . . . . 75.340000000000003 109.304 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.739 HG23 ' O ' ' A' ' 47' ' ' ARG . 16.0 mm -113.12 114.61 47.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.485 1.116 . . . . 65.239999999999995 109.296 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.462 ' SG ' HG22 ' A' ' 107' ' ' VAL . 1.2 t -89.17 143.99 26.44 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 43.200000000000003 108.285 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.98 ' HB3' HG23 ' A' ' 108' ' ' THR . 49.2 tt0 -133.22 154.22 50.85 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.462 1.101 . . . . 74.129999999999995 110.287 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.572 ' HG2' ' CE2' ' A' ' 109' ' ' TYR . 0.0 OUTLIER -99.24 125.43 44.85 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.474 1.109 . . . . 74.109999999999999 109.291 179.979 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.618 ' HB3' ' HB2' ' A' ' 39' ' ' SER . . . -60.73 142.29 56.01 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.541 1.151 . . . . 61.539999999999999 109.293 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.425 ' CG ' ' N ' ' A' ' 38' ' ' LYS . 14.8 pt-20 -68.02 -52.64 33.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.462 1.101 . . . . 72.099999999999994 110.258 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.425 ' N ' ' CG ' ' A' ' 37' ' ' GLU . 40.1 mttp -55.62 -35.71 66.17 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.546 1.154 . . . . 70.129999999999995 109.276 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.618 ' HB2' ' HB3' ' A' ' 36' ' ' ALA . 8.6 t -39.36 156.23 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.451 1.094 . . . . 61.219999999999999 109.986 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -116.09 10.24 14.96 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.543 1.152 . . . . 65.120000000000005 109.271 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.56 HD11 ' CE2' ' A' ' 109' ' ' TYR . 0.1 OUTLIER -91.28 164.24 25.7 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.447 1.092 . . . . 75.430000000000007 109.376 179.952 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 129.79 12.67 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.484 1.781 . . . . 64.400000000000006 111.002 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -49.24 171.07 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.625 1.203 . . . . 74.430000000000007 110.319 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.507 HD12 ' OH ' ' A' ' 49' ' ' TYR . 3.5 tt -102.77 163.59 3.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.109 . . . . 73.530000000000001 109.301 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' ASP . . . . . 0.447 ' N ' ' CG1' ' A' ' 44' ' ' ILE . 0.9 OUTLIER -54.77 -59.67 4.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 74.129999999999995 109.377 179.981 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.425 ' HA ' ' OG1' ' A' ' 4' ' ' THR . 0.0 OUTLIER -150.06 178.52 8.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 72.310000000000002 109.321 179.936 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.739 ' O ' HG23 ' A' ' 32' ' ' ILE . 2.7 mtm180 -107.87 93.38 4.51 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.505 1.128 . . . . 73.310000000000002 110.308 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.53 ' HB2' ' CD2' ' A' ' 5' ' ' PHE . 1.1 tptt -168.2 123.62 0.99 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.558 1.161 . . . . 65.409999999999997 109.269 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.698 ' CE2' HD13 ' A' ' 64' ' ' ILE . 33.5 m-85 -149.37 110.57 4.4 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.551 1.157 . . . . 72.340000000000003 111.009 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.553 HD11 ' HB3' ' A' ' 28' ' ' ARG . 12.1 tp -103.0 76.67 1.49 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.148 . . . . 74.329999999999998 109.296 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.939 HG21 ' SD ' ' A' ' 91' ' ' MET . 5.9 m -76.55 153.12 83.6 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.12 . . . . 63.399999999999999 109.287 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -178.39 4.14 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.476 1.777 . . . . 72.439999999999998 110.96 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -92.73 18.02 9.48 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.453 1.096 . . . . 72.450000000000003 109.293 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -119.98 -38.73 2.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.544 1.153 . . . . 72.409999999999997 109.242 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.854 HD23 ' HB1' ' B' ' 630' ' ' ALA . 0.0 OUTLIER -58.29 133.52 55.76 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.448 1.092 . . . . 73.349999999999994 109.324 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.511 ' N ' HD12 ' A' ' 55' ' ' LEU . 0.1 OUTLIER -98.86 -170.72 1.97 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.44 1.088 . . . . 33.539999999999999 110.412 179.959 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 2.8 t -75.4 -62.98 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 60.439999999999998 109.289 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -53.48 -18.51 7.52 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.598 1.186 . . . . 73.230000000000004 111.032 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' GLN . . . . . 0.538 ' HB2' ' CD1' ' A' ' 55' ' ' LEU . 31.5 mt-30 -97.22 -24.98 15.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.544 0.79 . . . . 74.530000000000001 110.276 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.623 ' CZ ' HD11 ' A' ' 64' ' ' ILE . 34.3 t80 -69.05 -36.86 78.17 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.458 1.099 . . . . 73.030000000000001 111.042 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.741 HG13 ' CG2' ' A' ' 76' ' ' ILE . 94.2 t -56.43 -45.44 81.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 73.010000000000005 109.308 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.592 ' CD1' ' O ' ' A' ' 62' ' ' TYR . 0.1 OUTLIER -45.92 -25.58 0.56 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.551 1.157 . . . . 74.540000000000006 111.025 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.815 HG21 ' C ' ' B' ' 630' ' ' ALA . 54.4 t -86.65 -36.75 10.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 O-C-N 124.594 1.184 . . . . 65.319999999999993 109.215 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.698 HD13 ' CE2' ' A' ' 49' ' ' TYR . 35.4 mm -64.56 -45.7 94.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.561 1.163 . . . . 74.049999999999997 109.306 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.474 ' CD ' ' HB3' ' A' ' 70' ' ' LEU . 6.2 tpp85 -68.07 -8.3 36.73 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.477 1.111 . . . . 63.25 110.237 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.574 ' HD2' ' CE1' ' A' ' 62' ' ' TYR . 9.2 mttp -88.73 -40.2 13.41 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.447 1.092 . . . . 71.450000000000003 109.321 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -59.23 -39.93 84.31 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.552 1.158 . . . . 74.150000000000006 110.323 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.449 HD11 ' CD1' ' A' ' 76' ' ' ILE . 2.8 pt -104.29 3.15 10.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.528 1.143 . . . . 74.209999999999994 109.301 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' MET . . . . . 0.419 ' CG ' ' O ' ' A' ' 68' ' ' ILE . 3.7 ptp 40.71 29.09 0.06 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.445 1.09 . . . . 64.340000000000003 111.001 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.474 ' HB3' ' CD ' ' A' ' 65' ' ' ARG . 5.6 tp -49.29 140.34 12.95 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 62.43 109.32 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.435 ' HD3' ' HA ' ' A' ' 70' ' ' LEU . 18.6 Cg_endo -74.89 170.3 20.7 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.463 1.77 . . . . 75.310000000000002 111.101 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 -1.73 11.61 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.441 1.758 . . . . 73.310000000000002 111.046 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -83.95 -0.04 49.83 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.452 1.095 . . . . 75.109999999999999 110.247 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 18.4 mttp -127.41 -178.96 4.66 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.485 1.116 . . . . 74.239999999999995 109.27 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -138.05 163.67 31.02 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.434 1.084 . . . . 54.009999999999998 109.339 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.741 ' CG2' HG13 ' A' ' 61' ' ' VAL . 2.3 tt -154.31 134.47 4.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.432 1.083 . . . . 71.129999999999995 109.316 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.721 ' HB3' HD11 ' A' ' 84' ' ' LEU . 31.3 m-85 -133.68 135.1 43.86 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.584 1.177 . . . . 70.230000000000004 110.939 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.6 ' CG2' HG21 ' A' ' 107' ' ' VAL . 3.6 mm -86.57 121.93 38.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 70.040000000000006 109.211 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' PHE . . . . . 0.521 ' CZ ' HD13 ' A' ' 84' ' ' LEU . 4.9 m-85 -112.88 125.04 53.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 63.119999999999997 110.951 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.407 ' O ' HG22 ' A' ' 83' ' ' THR . 2.1 t -120.09 109.47 26.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.496 1.123 . . . . 75.209999999999994 109.327 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' ASN . . . . . 0.487 ' O ' ' CB ' ' A' ' 82' ' ' ASP . 2.4 m120 70.44 17.95 6.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.13 . . . . 74.420000000000002 109.301 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 82' ' ' ASP . . . . . 0.487 ' CB ' ' O ' ' A' ' 81' ' ' ASN . 3.2 m-20 80.66 27.22 0.25 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 75.129999999999995 109.298 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 83' ' ' THR . . . . . 0.487 ' O ' ' CG2' ' A' ' 83' ' ' THR . 0.6 OUTLIER -136.6 113.82 10.69 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.454 1.096 . . . . 74.25 110.335 -179.952 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.721 HD11 ' HB3' ' A' ' 77' ' ' PHE . 0.3 OUTLIER -73.79 113.88 27.18 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.484 1.115 . . . . 64.219999999999999 109.292 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 170.59 20.08 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.505 1.792 . . . . 73.140000000000001 110.977 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' PRO . . . . . 0.654 ' HD2' ' HB2' ' A' ' 89' ' ' ALA . 18.3 Cg_endo -75.09 -169.32 0.62 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.554 1.818 . . . . 70.439999999999998 110.935 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 3.9 p -93.87 -34.13 13.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.56 1.163 . . . . 62.409999999999997 110.354 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -84.38 8.76 15.13 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.549 1.155 . . . . 71.439999999999998 109.273 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.988 ' HB1' HD11 ' A' ' 94' ' ' ILE . . . -75.72 61.02 1.34 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 73.430000000000007 109.308 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.531 ' C ' ' O ' ' A' ' 89' ' ' ALA . 0.4 OUTLIER -29.69 117.61 0.13 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.589 1.181 . . . . 71.209999999999994 109.321 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 91' ' ' MET . . . . . 0.939 ' SD ' HG21 ' A' ' 51' ' ' VAL . 0.5 OUTLIER -36.62 -31.18 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.54 1.15 . . . . 71.209999999999994 110.962 -179.923 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 92' ' ' SER . . . . . 0.469 ' N ' ' O ' ' A' ' 90' ' ' LEU . 1.5 t -64.69 -56.81 11.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 61.219999999999999 110.033 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 93' ' ' ALA . . . . . 0.412 ' N ' ' O ' ' A' ' 90' ' ' LEU . . . -60.97 -15.06 27.23 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.52 1.138 . . . . 70.439999999999998 109.275 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.988 HD11 ' HB1' ' A' ' 89' ' ' ALA . 28.0 mm -90.27 -37.75 10.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 61.530000000000001 109.321 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 95' ' ' TYR . . . . . 0.654 ' CB ' HG23 ' A' ' 29' ' ' ILE . 5.9 t80 -79.07 -4.24 49.23 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 52.140000000000001 111.017 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 96' ' ' GLN . . . . . 0.459 ' O ' ' CG ' ' A' ' 96' ' ' GLN . 6.8 tp60 -104.41 -9.17 18.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.546 1.154 . . . . 73.329999999999998 110.264 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -120.69 -7.06 9.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.566 1.166 . . . . 70.129999999999995 110.294 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 98' ' ' HIS . . . . . 0.687 ' HB2' HD11 ' A' ' 105' ' ' LEU . 36.4 m170 -123.94 11.78 9.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.443 1.089 . . . . 62.030000000000001 109.578 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.514 ' HB3' ' O ' ' A' ' 95' ' ' TYR . 0.1 OUTLIER -64.94 154.87 36.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.146 . . . . 60.420000000000002 109.28 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 100' ' ' ASP . . . . . 0.438 ' O ' ' N ' ' A' ' 103' ' ' GLY . 1.2 m-20 -120.97 175.46 6.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.449 1.093 . . . . 64.510000000000005 109.342 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 12.9 mtpt -48.59 -38.27 20.28 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.551 1.157 . . . . 74.239999999999995 109.29 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 102' ' ' ASP . . . . . 0.459 ' HB3' ' CE2' ' A' ' 11' ' ' PHE . 2.0 p30 -76.55 -28.96 56.49 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.491 1.119 . . . . 52.350000000000001 109.279 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 103' ' ' GLY . . . . . 0.438 ' N ' ' O ' ' A' ' 100' ' ' ASP . . . 104.96 -39.27 2.9 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.475 1.109 . . . . 42.140000000000001 111.011 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 104' ' ' PHE . . . . . 0.662 ' CE1' ' NH1' ' A' ' 14' ' ' ARG . 9.7 m-85 -55.41 142.49 32.34 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.528 0.781 . . . . 73.230000000000004 110.92 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.859 ' HB3' HG23 ' A' ' 31' ' ' VAL . 0.2 OUTLIER -85.09 161.95 19.48 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.534 1.146 . . . . 74.420000000000002 109.218 -179.969 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 57.1 m-85 -145.53 107.26 4.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 64.400000000000006 110.962 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 107' ' ' VAL . . . . . 0.7 HG23 ' N ' ' A' ' 108' ' ' THR . 1.9 m -117.34 179.55 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.413 1.071 . . . . 71.319999999999993 109.361 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 108' ' ' THR . . . . . 0.98 HG23 ' HB3' ' A' ' 34' ' ' GLU . 0.7 OUTLIER -152.52 112.32 3.96 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 74.209999999999994 110.404 179.965 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 109' ' ' TYR . . . . . 0.69 ' CD2' HD11 ' A' ' 76' ' ' ILE . 25.9 p90 -94.89 132.57 39.57 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.406 1.066 . . . . 63.539999999999999 111.065 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 110' ' ' SER . . . . . 0.512 ' OG ' ' HB2' ' A' ' 36' ' ' ALA . 0.7 OUTLIER -131.9 152.52 50.99 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.414 1.071 . . . . 73.5 110.024 179.956 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 111' ' ' GLY . . . . . 0.466 ' HA3' ' CG2' ' A' ' 41' ' ' ILE . . . -60.6 -46.18 94.91 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.518 1.136 . . . . 54.340000000000003 110.957 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 24.0 pt-20 -90.13 161.33 15.82 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.517 0.774 . . . . 65.25 110.261 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 113' ' ' ASN . . . . . 0.425 ' O ' ' ND2' ' A' ' 113' ' ' ASN . 28.6 t30 . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 71.129999999999995 109.302 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 629' ' ' ILE . . . . . . . . . . . . . 1.4 pp . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.247 -0.649 . . . . 61.409999999999997 109.247 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 630' ' ' ALA . . . . . 0.854 ' HB1' HD23 ' A' ' 55' ' ' LEU . . . . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 73.25 109.376 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.751 HG21 ' O ' ' A' ' 45' ' ' ASP . 63.9 p . . . . . 0 N--CA 1.454 -0.275 0 N-CA-C 110.357 -0.238 . . . . 74.439999999999998 110.357 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' PHE . . . . . 0.579 ' CD2' ' HD2' ' A' ' 6' ' ' LYS . 25.8 t80 -47.8 -22.4 0.54 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.429 1.081 . . . . 75.109999999999999 110.951 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 1.007 ' HZ2' HG21 ' A' ' 32' ' ' ILE . 2.0 mptm? -93.79 -31.84 14.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.144 . . . . 72.109999999999999 109.283 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' SER . . . . . 0.452 ' N ' ' O ' ' A' ' 4' ' ' THR . 27.6 t -80.4 4.29 18.5 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.553 1.158 . . . . 63.350000000000001 110.115 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' GLU . . . . . 0.475 ' OE1' ' CE2' ' A' ' 9' ' ' TYR . 0.0 OUTLIER -85.23 -63.25 1.36 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 75.049999999999997 110.302 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 9' ' ' TYR . . . . . 0.491 ' CD2' ' HE3' ' A' ' 13' ' ' LYS . 0.1 OUTLIER -127.37 174.21 4.54 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 62.130000000000003 111.041 179.942 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 10' ' ' PRO . . . . . 0.442 ' O ' ' C ' ' A' ' 11' ' ' PHE . 18.1 Cg_endo -75.1 147.8 34.05 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.508 1.794 . . . . 44.439999999999998 111.002 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.539 ' CE1' ' HB3' ' A' ' 102' ' ' ASP . 0.6 OUTLIER -34.16 -56.05 0.5 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 73.120000000000005 110.961 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.505 ' N ' ' CD2' ' A' ' 11' ' ' PHE . 14.6 mp0 -41.6 -56.99 2.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 72.25 110.292 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.491 ' HE3' ' CD2' ' A' ' 9' ' ' TYR . 0.0 OUTLIER -37.81 -41.16 0.5 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.502 1.126 . . . . 72.310000000000002 109.281 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.754 HH21 ' HE3' ' A' ' 6' ' ' LYS . 11.2 mtp-105 -69.87 -50.64 40.56 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.584 1.177 . . . . 72.400000000000006 110.347 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.426 ' N ' ' O ' ' A' ' 12' ' ' GLU . 14.8 pttt -46.19 -41.38 12.63 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.453 1.096 . . . . 63.020000000000003 109.234 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -67.87 -35.63 78.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.589 1.181 . . . . 52.130000000000003 109.304 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.451 ' N ' ' O ' ' A' ' 14' ' ' ARG . 16.4 tp10 -65.58 -54.52 26.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.361 1.038 . . . . 64.25 110.292 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.7 t -56.89 -23.45 44.78 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 124.58 1.175 . . . . 73.400000000000006 110.002 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 -72.91 -33.33 65.91 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.449 1.093 . . . . 72.310000000000002 110.315 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 43.1 mtm180 -91.33 -24.86 19.67 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.534 1.146 . . . . 74.030000000000001 110.285 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.456 HD12 ' CZ ' ' A' ' 104' ' ' PHE . 11.8 mt -59.02 -22.03 20.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.429 1.081 . . . . 70.129999999999995 109.339 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -78.32 -24.09 46.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 53.32 109.288 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -88.89 -24.86 22.4 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 74.040000000000006 109.303 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.9 mtt180 -96.59 -61.96 1.34 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.425 1.078 . . . . 72.200000000000003 110.292 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.406 ' HB3' ' CG ' ' A' ' 28' ' ' ARG . 2.9 m-85 -118.16 78.49 13.64 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.494 1.121 . . . . 64.319999999999993 111.035 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -36.43 2.57 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.534 1.807 . . . . 74.200000000000003 110.954 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 19.7 m-20 -90.42 40.0 0.99 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.463 1.102 . . . . 72.439999999999998 109.271 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.456 ' O ' HD13 ' A' ' 29' ' ' ILE . 6.4 mmt-85 -129.14 -178.74 4.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.146 . . . . 75.129999999999995 110.319 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.464 HG23 ' CB ' ' A' ' 95' ' ' TYR . 25.8 mm -141.5 99.51 6.35 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.526 1.142 . . . . 73.209999999999994 109.324 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.59 ' HA ' ' CD2' ' A' ' 50' ' ' LEU . 18.3 Cg_endo -74.94 121.42 6.59 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.499 1.789 . . . . 64.019999999999996 111.032 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.4 HG12 ' HB2' ' A' ' 105' ' ' LEU . 1.3 m -135.7 173.04 14.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.125 . . . . 75.340000000000003 109.322 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 1.007 HG21 ' HZ2' ' A' ' 6' ' ' LYS . 7.0 mm -134.63 103.23 4.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.605 1.191 . . . . 65.239999999999995 109.339 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.569 ' HB3' ' CE1' ' A' ' 49' ' ' TYR . 2.1 t -87.23 130.8 34.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.137 . . . . 43.200000000000003 108.274 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.408 ' HG3' ' NE ' ' A' ' 47' ' ' ARG . 6.9 tm-20 -145.34 162.33 37.5 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.369 1.043 . . . . 74.129999999999995 110.344 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.566 ' HZ3' ' HB3' ' A' ' 39' ' ' SER . 0.0 OUTLIER -101.44 133.25 46.36 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.489 1.118 . . . . 74.109999999999999 109.271 -179.968 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.41 ' HB3' ' OG ' ' A' ' 110' ' ' SER . . . -60.55 177.89 0.26 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.53 1.144 . . . . 61.539999999999999 109.263 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.449 ' CG ' ' N ' ' A' ' 38' ' ' LYS . 16.5 pt-20 -96.51 -50.76 4.61 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.469 1.106 . . . . 72.099999999999994 110.246 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.449 ' N ' ' CG ' ' A' ' 37' ' ' GLU . 53.5 mttm -53.73 -36.5 62.35 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.139 . . . . 70.129999999999995 109.343 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.566 ' HB3' ' HZ3' ' A' ' 35' ' ' LYS . 1.1 t -47.49 163.91 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 61.219999999999999 109.996 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 23.8 m-20 -127.8 23.31 6.21 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 65.120000000000005 109.293 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.589 HD11 ' CE2' ' A' ' 109' ' ' TYR . 0.1 OUTLIER -98.91 166.92 12.2 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.558 1.161 . . . . 75.430000000000007 109.347 179.969 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 42' ' ' PRO . . . . . 0.773 ' O ' HG21 ' A' ' 68' ' ' ILE . 18.2 Cg_endo -75.01 112.43 3.56 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.514 1.797 . . . . 64.400000000000006 110.962 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.426 ' HG3' ' CB ' ' A' ' 35' ' ' LYS . 26.4 tt0 -59.21 163.3 3.86 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.524 1.14 . . . . 74.430000000000007 110.253 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.5 ' CD1' ' OH ' ' A' ' 49' ' ' TYR . 14.8 tt -83.09 169.66 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.151 . . . . 73.530000000000001 109.326 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' ASP . . . . . 0.751 ' O ' HG21 ' A' ' 4' ' ' THR . 4.9 m-20 -71.43 -47.69 54.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.415 1.072 . . . . 74.129999999999995 109.265 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.496 ' CB ' ' OG1' ' A' ' 4' ' ' THR . 0.1 OUTLIER -143.36 162.35 35.96 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.146 . . . . 72.310000000000002 109.306 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.568 ' O ' HG23 ' A' ' 32' ' ' ILE . 1.4 ptm180 -108.34 94.79 5.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.437 1.085 . . . . 73.310000000000002 110.312 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.665 ' NZ ' ' CE1' ' A' ' 104' ' ' PHE . 0.8 OUTLIER -167.82 122.69 1.0 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.389 1.056 . . . . 65.409999999999997 109.302 179.97 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.635 ' HE2' HG12 ' A' ' 63' ' ' VAL . 32.0 m-85 -146.88 132.0 18.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 72.340000000000003 111.046 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.59 ' CD2' ' HA ' ' A' ' 30' ' ' PRO . 3.3 mt -112.26 77.32 1.03 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 74.329999999999998 109.321 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.672 HG11 ' CD1' ' A' ' 60' ' ' PHE . 20.9 m -78.73 148.34 72.59 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.509 1.13 . . . . 63.399999999999999 109.296 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 177.02 9.12 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.456 1.766 . . . . 72.439999999999998 111.071 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -90.47 18.66 5.96 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.434 1.083 . . . . 72.450000000000003 109.3 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 69.1 m-20 -119.85 -38.43 2.96 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.129 . . . . 72.409999999999997 109.258 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 1.9 tp -57.24 137.89 55.39 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.427 1.079 . . . . 73.349999999999994 109.343 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.514 HG22 ' CD1' ' A' ' 90' ' ' LEU . 1.3 p -95.87 -158.01 0.62 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.547 1.155 . . . . 33.539999999999999 110.409 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 2.7 t -87.6 -41.64 14.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 O-C-N 124.491 1.119 . . . . 60.439999999999998 109.285 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -73.53 -6.75 71.81 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.489 1.118 . . . . 73.230000000000004 110.968 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -98.79 -24.74 14.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.381 0.695 . . . . 74.530000000000001 110.262 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.672 ' CD1' HG11 ' A' ' 51' ' ' VAL . 12.2 t80 -78.41 -50.89 10.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 73.030000000000001 111.029 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.675 HG13 ' CG2' ' A' ' 76' ' ' ILE . 63.8 t -41.7 -36.1 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.446 1.091 . . . . 73.010000000000005 109.314 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -56.65 -52.99 62.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.14 . . . . 74.540000000000006 111.124 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.881 HG21 ' C ' ' B' ' 630' ' ' ALA . 77.5 t -60.09 -39.17 79.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 65.319999999999993 109.319 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.528 HD12 ' SG ' ' A' ' 33' ' ' CYS . 24.6 mm -66.46 -34.42 70.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 O-C-N 124.476 1.11 . . . . 74.049999999999997 109.301 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 4.5 tpp85 -80.68 -3.67 51.53 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.401 1.063 . . . . 63.25 110.325 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 12.2 mttt -89.45 -46.2 8.88 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.531 1.144 . . . . 71.450000000000003 109.301 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' ARG . . . . . 0.495 ' HG3' HD11 ' A' ' 44' ' ' ILE . 2.9 mmp_? -52.95 -59.36 4.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.1 . . . . 74.150000000000006 110.369 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.773 HG21 ' O ' ' A' ' 42' ' ' PRO . 6.2 pt -79.98 -4.98 7.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 74.209999999999994 109.253 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' MET . . . . . 0.495 ' CG ' ' O ' ' A' ' 68' ' ' ILE . 5.9 ptp 42.54 44.14 3.46 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.531 1.145 . . . . 64.340000000000003 110.968 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.474 HD12 ' HA ' ' A' ' 70' ' ' LEU . 5.3 tp -61.64 140.53 95.15 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.541 1.151 . . . . 62.43 109.342 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.434 ' HD3' ' HA ' ' A' ' 70' ' ' LEU . 18.4 Cg_endo -75.08 169.74 21.93 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.504 1.792 . . . . 75.310000000000002 110.965 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -0.67 10.25 Favored 'Trans proline' 0 C--N 1.362 1.27 0 O-C-N 124.468 1.772 . . . . 73.310000000000002 110.978 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 17.1 pt-20 -90.64 2.94 55.43 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.543 1.152 . . . . 75.109999999999999 110.266 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 19.2 mttt -121.53 -178.96 3.94 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.509 1.13 . . . . 74.239999999999995 109.291 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -139.11 147.08 41.48 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.576 1.172 . . . . 54.009999999999998 109.334 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.911 HD11 ' CD2' ' A' ' 109' ' ' TYR . 1.1 tt -142.88 121.66 8.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.411 1.069 . . . . 71.129999999999995 109.336 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.521 ' HB3' HD11 ' A' ' 84' ' ' LEU . 65.8 m-85 -122.16 140.57 52.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 70.230000000000004 110.931 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.6 ' CG2' ' CG2' ' A' ' 107' ' ' VAL . 9.1 mm -85.33 149.8 4.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 70.040000000000006 109.264 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -139.87 126.14 20.05 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 63.119999999999997 111.048 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.559 ' O ' HG22 ' A' ' 83' ' ' THR . 2.2 t -128.84 116.76 42.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.434 1.084 . . . . 75.209999999999994 109.302 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' ASN . . . . . 0.499 ' O ' ' CB ' ' A' ' 82' ' ' ASP . 2.0 m120 64.03 19.9 11.96 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.57 1.168 . . . . 74.420000000000002 109.271 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 82' ' ' ASP . . . . . 0.499 ' CB ' ' O ' ' A' ' 81' ' ' ASN . 3.9 m-20 81.61 24.7 0.24 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 75.129999999999995 109.319 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 83' ' ' THR . . . . . 0.559 HG22 ' O ' ' A' ' 80' ' ' VAL . 0.7 OUTLIER -131.76 135.17 46.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.112 . . . . 74.25 110.322 -179.941 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.521 HD11 ' HB3' ' A' ' 77' ' ' PHE . 0.2 OUTLIER -91.48 112.45 54.29 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.46 1.1 . . . . 64.219999999999999 109.268 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 163.55 35.18 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.491 1.785 . . . . 73.140000000000001 110.988 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' PRO . . . . . 0.736 ' HD2' ' HB2' ' A' ' 89' ' ' ALA . 18.2 Cg_endo -75.02 -164.97 0.26 Allowed 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.469 1.773 . . . . 70.439999999999998 111.017 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 4.8 p -96.12 -31.95 12.75 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.453 1.096 . . . . 62.409999999999997 110.399 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -86.42 11.27 12.8 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.555 1.159 . . . . 71.439999999999998 109.369 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 1.069 ' HB1' HD11 ' A' ' 94' ' ' ILE . . . -75.84 60.37 1.33 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 73.430000000000007 109.324 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.531 ' C ' ' O ' ' A' ' 89' ' ' ALA . 0.4 OUTLIER -28.95 114.99 0.09 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 71.209999999999994 109.303 179.94 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 91' ' ' MET . . . . . 0.543 ' SD ' HG21 ' A' ' 51' ' ' VAL . 0.0 OUTLIER -36.55 -32.17 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.612 1.195 . . . . 71.209999999999994 111.004 179.976 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 92' ' ' SER . . . . . 0.45 ' N ' ' O ' ' A' ' 90' ' ' LEU . 1.3 t -62.79 -56.62 15.8 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.436 1.085 . . . . 61.219999999999999 110.006 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 93' ' ' ALA . . . . . 0.407 ' N ' ' O ' ' A' ' 90' ' ' LEU . . . -63.37 -13.31 37.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.434 1.083 . . . . 70.439999999999998 109.235 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 1.069 HD11 ' HB1' ' A' ' 89' ' ' ALA . 29.7 mm -87.48 -41.02 14.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.489 1.118 . . . . 61.530000000000001 109.352 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 95' ' ' TYR . . . . . 0.783 ' CD2' HD23 ' A' ' 105' ' ' LEU . 7.7 t80 -79.28 -5.65 54.9 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.554 1.159 . . . . 52.140000000000001 110.95 -179.9 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 96' ' ' GLN . . . . . 0.454 ' O ' ' CG ' ' A' ' 96' ' ' GLN . 1.4 tt0 -101.87 -10.12 20.13 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.559 1.162 . . . . 73.329999999999998 110.248 -179.905 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -120.45 -7.59 9.69 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.446 1.091 . . . . 70.129999999999995 110.332 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 98' ' ' HIS . . . . . 0.44 ' HB2' HD11 ' A' ' 105' ' ' LEU . 33.3 m170 -126.99 16.55 7.32 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.555 1.159 . . . . 62.030000000000001 109.544 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.49 ' HB3' ' O ' ' A' ' 95' ' ' TYR . 0.1 OUTLIER -60.61 156.19 17.12 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.552 1.157 . . . . 60.420000000000002 109.287 -179.94 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -128.47 175.78 8.25 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.448 1.092 . . . . 64.510000000000005 109.303 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 101' ' ' LYS . . . . . 0.465 ' CE ' ' HA ' ' A' ' 101' ' ' LYS . 4.0 mmpt? -50.91 -57.38 8.65 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.424 1.078 . . . . 74.239999999999995 109.29 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 102' ' ' ASP . . . . . 0.539 ' HB3' ' CE1' ' A' ' 11' ' ' PHE . 0.5 OUTLIER -56.93 -19.92 20.61 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.484 1.115 . . . . 52.350000000000001 109.215 -179.912 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 103' ' ' GLY . . . . . 0.421 ' O ' ' CZ ' ' A' ' 95' ' ' TYR . . . 91.01 -25.78 13.1 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.466 1.104 . . . . 42.140000000000001 110.929 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 104' ' ' PHE . . . . . 0.665 ' CE1' ' NZ ' ' A' ' 48' ' ' LYS . 13.5 m-85 -68.9 145.81 53.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.444 0.732 . . . . 73.230000000000004 111.089 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.783 HD23 ' CD2' ' A' ' 95' ' ' TYR . 0.3 OUTLIER -86.94 143.09 27.54 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 74.420000000000002 109.34 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 106' ' ' TYR . . . . . 0.443 ' OH ' ' NH1' ' A' ' 14' ' ' ARG . 84.6 m-85 -120.74 95.09 4.57 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.486 1.116 . . . . 64.400000000000006 111.015 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 107' ' ' VAL . . . . . 0.6 ' CG2' ' CG2' ' A' ' 78' ' ' ILE . 12.0 p -106.82 169.31 2.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.538 1.149 . . . . 71.319999999999993 109.389 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 108' ' ' THR . . . . . 0.49 ' N ' HG22 ' A' ' 107' ' ' VAL . 0.6 OUTLIER -152.75 158.17 41.9 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.511 1.132 . . . . 74.209999999999994 110.326 -179.939 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 109' ' ' TYR . . . . . 0.911 ' CD2' HD11 ' A' ' 76' ' ' ILE . 36.1 p90 -140.75 141.45 34.86 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.477 1.11 . . . . 63.539999999999999 111.012 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 110' ' ' SER . . . . . 0.41 ' OG ' ' HB3' ' A' ' 36' ' ' ALA . 19.5 m -138.66 174.79 10.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.455 1.097 . . . . 73.5 110.018 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -87.92 2.69 85.82 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.528 1.143 . . . . 54.340000000000003 111.005 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 20.1 pm0 -118.29 149.82 40.5 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.433 0.725 . . . . 65.25 110.334 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 113' ' ' ASN . . . . . 0.404 ' CG ' ' O ' ' A' ' 113' ' ' ASN . 41.8 t30 . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.439 1.087 . . . . 71.129999999999995 109.282 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 629' ' ' ILE . . . . . 0.473 HD13 ' H ' ' A' ' 50' ' ' LEU . 1.2 pp . . . . . 0 N--CA 1.452 -0.351 0 N-CA-C 109.311 -0.626 . . . . 61.409999999999997 109.311 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 630' ' ' ALA . . . . . 0.881 ' C ' HG21 ' A' ' 63' ' ' VAL . . . . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.111 . . . . 73.25 109.32 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.451 ' OG1' ' N ' ' A' ' 5' ' ' PHE . 8.3 p . . . . . 0 N--CA 1.452 -0.336 0 N-CA-C 110.438 -0.208 . . . . 74.439999999999998 110.438 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' PHE . . . . . 0.612 ' CE2' ' OH ' ' A' ' 9' ' ' TYR . 69.0 t80 -71.6 -31.36 66.84 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.6 1.187 . . . . 75.109999999999999 111.075 179.897 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 1.034 ' HZ1' HG21 ' A' ' 32' ' ' ILE . 0.6 OUTLIER -80.64 -53.34 6.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 72.109999999999999 109.282 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 29.5 t -59.47 -15.36 17.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.571 1.17 . . . . 63.350000000000001 109.946 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' GLU . . . . . 0.575 ' HB3' ' CD1' ' A' ' 9' ' ' TYR . 8.9 tt0 -54.74 -46.92 74.37 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.468 1.105 . . . . 75.049999999999997 110.328 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' TYR . . . . . 0.612 ' OH ' ' CE2' ' A' ' 5' ' ' PHE . 1.9 p90 -134.46 167.28 23.6 Favored Pre-proline 0 C--N 1.326 -0.434 0 O-C-N 124.425 1.078 . . . . 62.130000000000003 110.948 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -178.68 4.34 Favored 'Trans proline' 0 C--N 1.361 1.211 0 O-C-N 124.493 1.786 . . . . 44.439999999999998 110.986 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.648 ' CE2' ' CD ' ' A' ' 101' ' ' LYS . 6.2 t80 -68.22 -48.03 66.25 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 73.120000000000005 110.927 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -52.97 -19.19 2.43 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 72.25 110.294 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -93.42 -51.5 4.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 72.310000000000002 109.376 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 11.6 ptp180 -60.85 -20.55 61.99 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.445 1.091 . . . . 72.400000000000006 110.231 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.432 ' HD3' ' CE1' ' A' ' 11' ' ' PHE . 34.9 pttt -81.4 -42.89 19.76 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.522 1.139 . . . . 63.020000000000003 109.322 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -57.57 -23.81 52.73 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.447 1.092 . . . . 52.130000000000003 109.251 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.439 ' O ' ' CG ' ' A' ' 20' ' ' ARG . 13.4 tp10 -68.32 -57.11 6.44 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 64.25 110.209 -179.911 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 20.2 p -59.01 -15.77 14.89 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 73.400000000000006 110.045 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -79.94 -25.36 40.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 72.310000000000002 110.363 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.927 HH21 ' CD ' ' A' ' 24' ' ' ARG . 13.9 ptm180 -101.85 -25.94 13.63 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.522 1.139 . . . . 74.030000000000001 110.257 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 27.1 mt -63.63 -22.01 29.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 70.129999999999995 109.294 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -74.17 -19.0 60.7 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.453 1.096 . . . . 53.32 109.27 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -97.36 -42.68 7.64 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.466 1.104 . . . . 74.040000000000006 109.303 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.927 ' CD ' HH21 ' A' ' 20' ' ' ARG . 4.1 mtp85 -69.48 -51.89 31.68 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.491 1.119 . . . . 72.200000000000003 110.317 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.551 ' CE2' ' HB3' ' A' ' 24' ' ' ARG . 3.4 m-85 -142.27 91.89 7.66 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.505 1.128 . . . . 64.319999999999993 111.06 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 -33.28 4.8 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.47 1.774 . . . . 74.200000000000003 110.987 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 5.2 m-20 -91.02 40.22 1.02 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.385 1.053 . . . . 72.439999999999998 109.351 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.461 ' CG ' ' HB3' ' A' ' 25' ' ' PHE . 11.8 mmt180 -124.11 170.17 10.96 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.365 1.04 . . . . 75.129999999999995 110.313 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.489 HD12 ' HA ' ' A' ' 92' ' ' SER . 22.2 mm -133.06 96.24 17.88 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.543 1.152 . . . . 73.209999999999994 109.345 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.629 ' HA ' HD22 ' A' ' 50' ' ' LEU . 18.2 Cg_endo -74.94 105.51 2.09 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.487 1.782 . . . . 64.019999999999996 110.981 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.504 HG13 HG22 ' A' ' 51' ' ' VAL . 0.9 OUTLIER -118.82 169.63 9.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.431 1.082 . . . . 75.340000000000003 109.293 179.961 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 1.034 HG21 ' HZ1' ' A' ' 6' ' ' LYS . 4.0 mm -134.7 106.16 7.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 65.239999999999995 109.259 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.567 ' HB3' ' CE1' ' A' ' 49' ' ' TYR . 0.5 OUTLIER -83.69 139.74 32.59 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.404 1.065 . . . . 43.200000000000003 108.286 179.974 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.487 ' O ' ' CG2' ' A' ' 108' ' ' THR . 6.7 tp10 -149.86 156.71 42.25 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.528 1.143 . . . . 74.129999999999995 110.18 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.418 ' CD ' ' HB3' ' A' ' 39' ' ' SER . 0.0 OUTLIER -94.12 126.91 39.63 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.471 1.107 . . . . 74.109999999999999 109.317 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.509 ' HB3' ' HB2' ' A' ' 39' ' ' SER . . . -53.74 179.46 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 61.539999999999999 109.316 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.451 ' CG ' ' N ' ' A' ' 38' ' ' LYS . 11.1 pt-20 -96.44 -50.95 4.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.414 1.071 . . . . 72.099999999999994 110.279 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.451 ' N ' ' CG ' ' A' ' 37' ' ' GLU . 50.3 mttp -59.74 -37.03 77.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 70.129999999999995 109.272 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.509 ' HB2' ' HB3' ' A' ' 36' ' ' ALA . 3.3 t -39.98 159.59 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.45 1.094 . . . . 61.219999999999999 109.985 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 75.2 m-20 -121.98 1.9 9.87 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.586 1.179 . . . . 65.120000000000005 109.283 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.597 HD11 ' CE2' ' A' ' 109' ' ' TYR . 0.1 OUTLIER -79.88 167.99 29.54 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.44 1.088 . . . . 75.430000000000007 109.275 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 42' ' ' PRO . . . . . 0.433 ' O ' HG21 ' A' ' 68' ' ' ILE . 18.0 Cg_endo -75.07 125.2 9.12 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.491 1.785 . . . . 64.400000000000006 110.974 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -66.2 146.82 54.18 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.435 1.084 . . . . 74.430000000000007 110.339 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.733 HD11 ' HG3' ' A' ' 67' ' ' ARG . 13.8 tt -67.11 170.28 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.46 1.1 . . . . 73.530000000000001 109.325 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -72.25 -44.33 63.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.421 1.075 . . . . 74.129999999999995 109.296 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -149.83 164.98 33.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 72.310000000000002 109.295 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.675 ' HB2' HG22 ' A' ' 32' ' ' ILE . 2.1 ptm180 -106.99 95.68 5.89 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.484 1.115 . . . . 73.310000000000002 110.302 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.576 ' HB2' ' CD2' ' A' ' 5' ' ' PHE . 17.8 tptt -166.6 116.43 0.92 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.555 1.159 . . . . 65.409999999999997 109.268 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.701 ' HE2' HG12 ' A' ' 63' ' ' VAL . 20.3 m-85 -141.67 115.22 8.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.441 1.088 . . . . 72.340000000000003 111.015 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.629 HD22 ' HA ' ' A' ' 30' ' ' PRO . 0.3 OUTLIER -98.33 77.13 2.35 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.567 1.167 . . . . 74.329999999999998 109.346 -179.969 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.939 HG21 ' SD ' ' A' ' 91' ' ' MET . 6.4 m -82.82 146.28 52.15 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.102 . . . . 63.399999999999999 109.225 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' PRO . . . . . 0.47 ' HD3' ' CB ' ' B' ' 630' ' ' ALA . 18.4 Cg_endo -74.95 -178.23 4.01 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.452 1.764 . . . . 72.439999999999998 110.994 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -91.84 18.77 7.27 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.486 1.116 . . . . 72.450000000000003 109.332 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -118.1 -38.48 3.21 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.462 1.101 . . . . 72.409999999999997 109.266 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.576 HD12 ' N ' ' A' ' 56' ' ' THR . 0.0 OUTLIER -57.93 130.38 46.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.547 1.154 . . . . 73.349999999999994 109.269 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.576 ' N ' HD12 ' A' ' 55' ' ' LEU . 2.4 p -90.19 -164.09 1.11 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.113 . . . . 33.539999999999999 110.409 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 2.4 t -84.12 -60.57 2.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.548 1.155 . . . . 60.439999999999998 109.355 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -57.17 -21.48 39.48 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.429 1.081 . . . . 73.230000000000004 110.989 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' GLN . . . . . 0.499 ' HB2' ' CD1' ' A' ' 55' ' ' LEU . 9.6 mt-30 -88.63 -28.31 20.73 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.432 0.725 . . . . 74.530000000000001 110.352 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.675 ' CE1' HG11 ' A' ' 51' ' ' VAL . 54.2 t80 -69.35 -38.67 78.23 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.124 . . . . 73.030000000000001 111.034 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.719 HG22 HG12 ' A' ' 78' ' ' ILE . 85.4 t -49.06 -47.19 17.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 73.010000000000005 109.231 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.552 ' CD1' ' C ' ' A' ' 62' ' ' TYR . 0.1 OUTLIER -44.82 -32.7 1.65 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 74.540000000000006 110.995 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.729 HG21 ' CA ' ' B' ' 630' ' ' ALA . 97.7 t -74.38 -39.49 48.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.43 1.081 . . . . 65.319999999999993 109.26 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.615 ' CD1' ' CE2' ' A' ' 49' ' ' TYR . 4.0 mm -67.79 -33.5 62.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.549 1.156 . . . . 74.049999999999997 109.35 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 2.3 tpp180 -77.86 -3.24 40.63 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.52 1.137 . . . . 63.25 110.291 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.452 ' HD2' ' CE1' ' A' ' 62' ' ' TYR . 15.3 mttt -90.23 -50.11 6.17 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.14 . . . . 71.450000000000003 109.279 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' ARG . . . . . 0.733 ' HG3' HD11 ' A' ' 44' ' ' ILE . 6.7 mmp_? -53.01 -66.43 0.39 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.556 1.16 . . . . 74.150000000000006 110.332 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.713 HD11 HD12 ' A' ' 76' ' ' ILE . 6.0 pt -72.32 -5.37 6.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.446 1.091 . . . . 74.209999999999994 109.385 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' MET . . . . . 0.508 ' CG ' ' O ' ' A' ' 68' ' ' ILE . 6.0 ptp 42.88 42.82 3.22 Favored 'General case' 0 C--N 1.327 -0.381 0 O-C-N 124.41 1.069 . . . . 64.340000000000003 111.059 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.51 HD22 HD12 ' A' ' 68' ' ' ILE . 4.8 tp -62.11 140.65 96.0 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 62.43 109.299 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.442 ' HD3' ' HA ' ' A' ' 70' ' ' LEU . 18.3 Cg_endo -75.05 170.89 19.41 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.514 1.797 . . . . 75.310000000000002 110.94 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 0.23 9.18 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.507 1.793 . . . . 73.310000000000002 111.03 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -93.28 7.25 45.14 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.438 1.086 . . . . 75.109999999999999 110.281 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -125.31 179.9 4.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.555 1.159 . . . . 74.239999999999995 109.35 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -136.58 149.13 47.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.145 . . . . 54.009999999999998 109.309 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.777 HD11 ' CD2' ' A' ' 109' ' ' TYR . 1.5 tt -149.45 120.01 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.396 1.06 . . . . 71.129999999999995 109.279 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.643 ' HB3' HD11 ' A' ' 84' ' ' LEU . 52.1 m-85 -120.67 142.74 49.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.107 . . . . 70.230000000000004 110.995 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.719 HG12 HG22 ' A' ' 61' ' ' VAL . 11.3 mm -84.8 139.55 17.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.569 1.168 . . . . 70.040000000000006 109.298 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' PHE . . . . . 0.605 ' CZ ' HD13 ' A' ' 84' ' ' LEU . 6.9 m-85 -131.34 130.88 43.25 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.484 1.115 . . . . 63.119999999999997 111.076 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.541 HG12 ' OD1' ' A' ' 81' ' ' ASN . 2.8 t -130.27 118.73 44.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.453 1.096 . . . . 75.209999999999994 109.323 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' ASN . . . . . 0.541 ' OD1' HG12 ' A' ' 80' ' ' VAL . 2.5 m120 60.82 19.36 9.57 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.535 1.147 . . . . 74.420000000000002 109.29 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 82' ' ' ASP . . . . . 0.493 ' CB ' ' O ' ' A' ' 81' ' ' ASN . 9.3 t0 81.08 25.7 0.25 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.439 1.087 . . . . 75.129999999999995 109.341 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 83' ' ' THR . . . . . 0.486 ' O ' ' CG2' ' A' ' 83' ' ' THR . 0.6 OUTLIER -133.15 112.94 12.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.107 . . . . 74.25 110.388 -179.94 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.643 HD11 ' HB3' ' A' ' 77' ' ' PHE . 0.3 OUTLIER -71.99 113.81 23.53 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.524 1.14 . . . . 64.219999999999999 109.306 179.967 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 165.32 31.58 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.482 1.78 . . . . 73.140000000000001 111.018 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' PRO . . . . . 0.739 ' HD2' ' HB2' ' A' ' 89' ' ' ALA . 18.5 Cg_endo -74.94 -167.27 0.4 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.586 1.835 . . . . 70.439999999999998 111.02 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 2.0 p -93.68 -32.13 14.17 Favored 'General case' 0 C--N 1.327 -0.406 0 O-C-N 124.449 1.093 . . . . 62.409999999999997 110.451 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -86.38 11.66 11.86 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.487 1.117 . . . . 71.439999999999998 109.306 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 1.02 ' HB1' HD11 ' A' ' 94' ' ' ILE . . . -76.01 60.57 1.42 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.118 . . . . 73.430000000000007 109.301 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.539 ' CD1' HG22 ' A' ' 56' ' ' THR . 0.4 OUTLIER -28.99 115.64 0.1 Allowed 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.493 1.12 . . . . 71.209999999999994 109.424 179.926 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 91' ' ' MET . . . . . 0.939 ' SD ' HG21 ' A' ' 51' ' ' VAL . 0.3 OUTLIER -37.05 -31.1 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.546 1.154 . . . . 71.209999999999994 110.978 -179.973 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 92' ' ' SER . . . . . 0.489 ' HA ' HD12 ' A' ' 29' ' ' ILE . 1.5 t -67.81 -53.71 24.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.605 1.191 . . . . 61.219999999999999 110.001 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 93' ' ' ALA . . . . . 0.452 ' N ' ' O ' ' A' ' 90' ' ' LEU . . . -63.27 -13.16 35.1 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.561 1.163 . . . . 70.439999999999998 109.242 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 1.02 HD11 ' HB1' ' A' ' 89' ' ' ALA . 26.8 mm -88.28 -41.7 14.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.42 1.075 . . . . 61.530000000000001 109.376 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 95' ' ' TYR . . . . . 0.707 ' CD2' HD23 ' A' ' 105' ' ' LEU . 4.7 t80 -74.78 -9.02 58.16 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.44 1.088 . . . . 52.140000000000001 111.022 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 96' ' ' GLN . . . . . 0.467 ' O ' ' CG ' ' A' ' 96' ' ' GLN . 15.5 tp60 -100.99 -8.97 21.9 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.388 1.055 . . . . 73.329999999999998 110.301 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -118.3 -8.12 10.63 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 70.129999999999995 110.325 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 34.4 m170 -128.42 14.97 6.63 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.48 1.113 . . . . 62.030000000000001 109.624 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.489 ' HB3' ' O ' ' A' ' 95' ' ' TYR . 0.1 OUTLIER -55.75 154.68 6.66 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.525 1.141 . . . . 60.420000000000002 109.306 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -124.66 171.59 9.94 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.507 1.129 . . . . 64.510000000000005 109.268 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 101' ' ' LYS . . . . . 0.648 ' CD ' ' CE2' ' A' ' 11' ' ' PHE . 0.1 OUTLIER -55.44 -43.04 75.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 74.239999999999995 109.362 179.947 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 102' ' ' ASP . . . . . 0.493 ' HB3' ' CE2' ' A' ' 11' ' ' PHE . 1.0 OUTLIER -72.01 -15.48 62.05 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.124 . . . . 52.350000000000001 109.277 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 88.77 -39.27 3.13 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.532 1.145 . . . . 42.140000000000001 111.046 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 104' ' ' PHE . . . . . 0.434 ' CE2' ' HB3' ' A' ' 17' ' ' GLU . 0.4 OUTLIER -56.99 132.11 51.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 0.751 . . . . 73.230000000000004 110.866 -179.968 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.707 HD23 ' CD2' ' A' ' 95' ' ' TYR . 0.2 OUTLIER -77.37 151.16 34.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 74.420000000000002 109.342 179.97 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 94.3 m-85 -130.62 95.9 3.98 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.496 1.122 . . . . 64.400000000000006 111.05 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 107' ' ' VAL . . . . . 0.603 ' CG2' ' CG2' ' A' ' 78' ' ' ILE . 11.5 p -106.07 171.44 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.533 1.145 . . . . 71.319999999999993 109.291 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 108' ' ' THR . . . . . 0.532 ' H ' HG22 ' A' ' 107' ' ' VAL . 0.3 OUTLIER -152.47 161.12 43.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.112 . . . . 74.209999999999994 110.42 179.983 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 109' ' ' TYR . . . . . 0.777 ' CD2' HD11 ' A' ' 76' ' ' ILE . 46.7 p90 -140.74 134.3 30.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.438 1.086 . . . . 63.539999999999999 110.94 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 22.9 t -136.33 157.56 46.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.377 1.048 . . . . 73.5 110.014 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -85.2 2.42 88.2 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.563 1.164 . . . . 54.340000000000003 111.048 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -121.69 124.53 44.49 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.547 0.793 . . . . 65.25 110.312 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 36.4 t30 . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.405 1.065 . . . . 71.129999999999995 109.301 -179.967 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 629' ' ' ILE . . . . . 0.535 ' C ' HG11 ' A' ' 63' ' ' VAL . 1.2 pp . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 109.294 -0.632 . . . . 61.409999999999997 109.294 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 630' ' ' ALA . . . . . 0.729 ' CA ' HG21 ' A' ' 63' ' ' VAL . . . . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.144 . . . . 73.25 109.248 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.477 ' OG1' ' CG ' ' A' ' 47' ' ' ARG . 2.0 p . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 110.417 -0.216 . . . . 74.439999999999998 110.417 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' PHE . . . . . 0.591 ' O ' ' CE1' ' A' ' 9' ' ' TYR . 9.5 t80 -64.05 -10.59 22.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 75.109999999999999 110.995 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 13.1 tmtt? -98.44 -15.02 19.8 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 72.109999999999999 109.194 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -110.16 5.15 21.71 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.527 1.142 . . . . 63.350000000000001 109.998 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' GLU . . . . . 0.563 ' HB3' ' CE2' ' A' ' 9' ' ' TYR . 0.0 OUTLIER -82.35 0.7 40.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 75.049999999999997 110.28 -179.945 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 9' ' ' TYR . . . . . 0.591 ' CE1' ' O ' ' A' ' 5' ' ' PHE . 0.3 OUTLIER 179.55 169.77 0.61 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 62.130000000000003 110.98 -179.94 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 178.95 6.58 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.462 1.77 . . . . 44.439999999999998 110.987 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.565 ' HB2' HH21 ' A' ' 14' ' ' ARG . 4.4 t80 -71.08 -39.56 72.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 73.120000000000005 111.031 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.436 ' HA ' ' CD ' ' A' ' 15' ' ' LYS . 46.8 mt-10 -64.14 -10.78 24.86 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.513 1.133 . . . . 72.25 110.312 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -86.47 -58.14 2.73 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.501 1.125 . . . . 72.310000000000002 109.369 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.565 HH21 ' HB2' ' A' ' 11' ' ' PHE . 8.2 ptt180 -63.04 -45.08 93.95 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.483 1.115 . . . . 72.400000000000006 110.371 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.476 ' N ' ' CG ' ' A' ' 14' ' ' ARG . 39.0 pttt -47.4 -40.16 17.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.13 . . . . 63.020000000000003 109.255 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -68.36 -34.88 76.88 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.523 1.139 . . . . 52.130000000000003 109.311 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.446 ' N ' ' O ' ' A' ' 14' ' ' ARG . 24.8 tp10 -64.32 -39.81 94.65 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 64.25 110.361 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -74.95 -16.99 60.62 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.559 1.162 . . . . 73.400000000000006 110.054 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -75.09 -25.07 58.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.452 1.095 . . . . 72.310000000000002 110.309 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 13.3 ptm180 -101.82 -31.5 10.71 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.493 1.121 . . . . 74.030000000000001 110.281 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 3.9 mt -64.28 -19.6 25.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.488 1.117 . . . . 70.129999999999995 109.291 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -76.34 -14.43 60.09 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.474 1.109 . . . . 53.32 109.267 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -105.24 -39.43 6.19 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.46 1.1 . . . . 74.040000000000006 109.362 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.552 ' HB3' ' CE1' ' A' ' 25' ' ' PHE . 15.0 mmm-85 -68.07 -49.07 63.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.556 1.16 . . . . 72.200000000000003 110.231 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.552 ' CE1' ' HB3' ' A' ' 24' ' ' ARG . 0.9 OUTLIER -133.92 77.47 62.54 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.571 1.169 . . . . 64.319999999999993 110.943 -179.966 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 -24.95 12.32 Favored 'Trans proline' 0 C--N 1.358 1.068 0 O-C-N 124.528 1.804 . . . . 74.200000000000003 110.961 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 36.2 m-20 -91.94 21.97 4.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.438 1.087 . . . . 72.439999999999998 109.207 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.57 ' HB3' HD11 ' A' ' 50' ' ' LEU . 9.3 mmt-85 -114.41 -177.45 3.13 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.451 1.095 . . . . 75.129999999999995 110.245 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.638 HG23 ' CB ' ' A' ' 95' ' ' TYR . 35.8 mm -146.31 98.66 4.28 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.545 1.153 . . . . 73.209999999999994 109.351 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.563 ' HD2' ' CE1' ' A' ' 95' ' ' TYR . 18.4 Cg_endo -74.93 141.26 26.64 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.387 1.73 . . . . 64.019999999999996 110.97 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.804 HG23 ' HB3' ' A' ' 105' ' ' LEU . 5.5 p -159.92 152.77 5.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 75.340000000000003 109.309 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.506 ' CG2' ' CB ' ' A' ' 47' ' ' ARG . 21.8 mm -113.06 115.48 49.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.438 1.086 . . . . 65.239999999999995 109.319 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.584 ' SG ' HD12 ' A' ' 64' ' ' ILE . 1.0 OUTLIER -90.38 111.88 23.28 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 43.200000000000003 108.324 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.716 ' HA ' HH21 ' A' ' 47' ' ' ARG . 87.7 tt0 -113.44 153.93 27.82 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.509 1.131 . . . . 74.129999999999995 110.246 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.89 ' HZ3' ' CB ' ' A' ' 39' ' ' SER . 0.4 OUTLIER -93.17 121.29 34.38 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.444 1.09 . . . . 74.109999999999999 109.406 179.969 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.476 ' CB ' ' HB3' ' A' ' 110' ' ' SER . . . -52.93 172.83 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.136 . . . . 61.539999999999999 109.299 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.419 ' HG3' ' N ' ' A' ' 38' ' ' LYS . 18.7 pt-20 -96.73 -48.0 5.66 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.105 . . . . 72.099999999999994 110.318 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.419 ' N ' ' HG3' ' A' ' 37' ' ' GLU . 8.8 mttp -52.38 -47.12 66.38 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.493 1.12 . . . . 70.129999999999995 109.289 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.89 ' CB ' ' HZ3' ' A' ' 35' ' ' LYS . 0.1 OUTLIER -48.58 173.6 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.427 1.079 . . . . 61.219999999999999 110.028 -179.93 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -137.61 19.1 2.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 65.120000000000005 109.301 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.616 HG23 ' OG ' ' A' ' 39' ' ' SER . 0.1 OUTLIER -81.68 168.26 25.55 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.465 1.103 . . . . 75.430000000000007 109.221 -179.925 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 42' ' ' PRO . . . . . 0.516 ' O ' HG21 ' A' ' 68' ' ' ILE . 18.2 Cg_endo -75.01 125.48 9.34 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.51 1.795 . . . . 64.400000000000006 111.012 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -63.82 148.6 48.91 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.546 1.153 . . . . 74.430000000000007 110.349 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.514 ' CD1' ' OH ' ' A' ' 49' ' ' TYR . 11.7 tt -69.01 170.37 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.581 1.176 . . . . 73.530000000000001 109.275 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -75.06 -44.69 46.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 74.129999999999995 109.304 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.485 ' HZ1' ' HD2' ' A' ' 67' ' ' ARG . 0.1 OUTLIER -144.46 168.42 20.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.125 . . . . 72.310000000000002 109.258 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.716 HH21 ' HA ' ' A' ' 34' ' ' GLU . 0.7 OUTLIER -112.1 94.02 4.74 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.469 1.106 . . . . 73.310000000000002 110.312 -179.973 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.65 ' NZ ' ' CE1' ' A' ' 104' ' ' PHE . 0.0 OUTLIER -167.1 121.02 1.0 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.452 1.095 . . . . 65.409999999999997 109.326 -179.956 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.591 ' CE2' HD13 ' A' ' 64' ' ' ILE . 28.1 m-85 -146.9 108.46 4.31 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.504 1.128 . . . . 72.340000000000003 111.049 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.57 HD11 ' HB3' ' A' ' 28' ' ' ARG . 15.3 tp -104.41 76.72 1.33 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 74.329999999999998 109.248 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.709 HG11 ' CD1' ' A' ' 60' ' ' PHE . 28.8 m -77.19 157.25 81.19 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.396 1.06 . . . . 63.399999999999999 109.247 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 175.62 11.0 Favored 'Trans proline' 0 C--N 1.361 1.213 0 O-C-N 124.443 1.76 . . . . 72.439999999999998 111.029 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -87.99 17.96 4.57 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.585 1.178 . . . . 72.450000000000003 109.325 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -117.63 -38.14 3.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 72.409999999999997 109.311 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.501 ' CD1' ' O ' ' B' ' 630' ' ' ALA . 0.4 OUTLIER -57.48 133.8 55.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 73.349999999999994 109.22 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.409 HG23 ' OE1' ' A' ' 59' ' ' GLN . 0.7 OUTLIER -94.25 -173.85 3.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.577 1.173 . . . . 33.539999999999999 110.397 179.927 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 2.6 t -73.37 -42.54 57.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.427 1.079 . . . . 60.439999999999998 109.278 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -72.25 -6.6 65.5 Favored Glycine 0 CA--C 1.529 0.927 0 O-C-N 124.454 1.096 . . . . 73.230000000000004 111.058 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' GLN . . . . . 0.423 ' CB ' ' HG ' ' A' ' 55' ' ' LEU . 14.5 mt-30 -99.29 -23.22 15.26 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 0.776 . . . . 74.530000000000001 110.312 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.709 ' CD1' HG11 ' A' ' 51' ' ' VAL . 34.1 t80 -76.68 -54.2 6.97 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.508 1.13 . . . . 73.030000000000001 110.96 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.757 HG13 ' CG2' ' A' ' 76' ' ' ILE . 90.7 t -40.08 -36.89 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.475 1.109 . . . . 73.010000000000005 109.29 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.568 ' CD1' ' HD3' ' A' ' 66' ' ' LYS . 0.5 OUTLIER -56.61 -54.53 44.98 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.497 1.123 . . . . 74.540000000000006 111.015 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.996 HG21 ' C ' ' B' ' 630' ' ' ALA . 77.5 t -58.63 -39.56 76.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.11 . . . . 65.319999999999993 109.289 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.627 HD11 ' CZ ' ' A' ' 60' ' ' PHE . 16.0 mm -59.45 -48.35 87.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.478 1.111 . . . . 74.049999999999997 109.334 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.499 HH21 HG22 ' A' ' 76' ' ' ILE . 9.7 tpp85 -61.97 -33.52 74.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 63.25 110.35 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.568 ' HD3' ' CD1' ' A' ' 62' ' ' TYR . 0.1 OUTLIER -61.8 -53.45 55.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 71.450000000000003 109.235 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 67' ' ' ARG . . . . . 0.485 ' HD2' ' HZ1' ' A' ' 46' ' ' LYS . 1.2 mmp_? -48.6 -66.51 0.39 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.504 1.127 . . . . 74.150000000000006 110.31 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.813 HD11 HD12 ' A' ' 76' ' ' ILE . 5.5 pt -69.3 -7.65 8.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.505 1.128 . . . . 74.209999999999994 109.285 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' MET . . . . . 0.511 ' CG ' ' O ' ' A' ' 68' ' ' ILE . 6.7 ptp 43.47 41.18 3.13 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.495 1.122 . . . . 64.340000000000003 110.964 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.497 HD22 HD12 ' A' ' 68' ' ' ILE . 5.0 tp -62.28 141.03 96.31 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.597 1.186 . . . . 62.43 109.364 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.91 172.56 16.09 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.508 1.793 . . . . 75.310000000000002 111.022 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -2.87 13.11 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.496 1.788 . . . . 73.310000000000002 110.991 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -86.1 3.18 43.71 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.563 1.164 . . . . 75.109999999999999 110.324 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 10.5 mttp -133.73 -178.97 5.25 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.477 1.11 . . . . 74.239999999999995 109.253 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -139.15 177.11 8.14 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.462 1.101 . . . . 54.009999999999998 109.299 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.813 HD12 HD11 ' A' ' 68' ' ' ILE . 1.0 OUTLIER -161.83 116.51 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.439 1.087 . . . . 71.129999999999995 109.279 -179.951 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.474 ' CE1' ' HB2' ' A' ' 113' ' ' ASN . 82.4 m-85 -116.35 140.99 48.74 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 70.230000000000004 111.012 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.655 ' CG1' HG22 ' A' ' 61' ' ' VAL . 5.1 mm -84.18 150.83 3.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 O-C-N 124.558 1.162 . . . . 70.040000000000006 109.297 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' PHE . . . . . 0.511 ' CD1' HD12 ' A' ' 84' ' ' LEU . 2.8 m-85 -145.8 117.38 8.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 63.119999999999997 110.998 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.599 ' O ' HG22 ' A' ' 83' ' ' THR . 1.5 t -119.45 110.65 30.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.573 1.171 . . . . 75.209999999999994 109.365 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 81' ' ' ASN . . . . . 0.497 ' O ' ' CB ' ' A' ' 82' ' ' ASP . 3.1 m120 66.78 21.7 10.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.099 . . . . 74.420000000000002 109.29 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' ASP . . . . . 0.497 ' CB ' ' O ' ' A' ' 81' ' ' ASN . 4.1 m-20 81.66 21.14 0.33 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 75.129999999999995 109.304 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 83' ' ' THR . . . . . 0.599 HG22 ' O ' ' A' ' 80' ' ' VAL . 0.7 OUTLIER -124.58 135.08 52.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.145 . . . . 74.25 110.427 179.972 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.511 HD12 ' CD1' ' A' ' 79' ' ' PHE . 0.2 OUTLIER -95.6 111.14 54.55 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 64.219999999999999 109.285 -179.965 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 163.52 35.2 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.483 1.78 . . . . 73.140000000000001 111.007 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' PRO . . . . . 0.717 ' HG2' ' HB2' ' A' ' 89' ' ' ALA . 18.0 Cg_endo -75.08 -167.05 0.39 Allowed 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.493 1.786 . . . . 70.439999999999998 110.95 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 2.2 p -97.1 -35.34 10.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 62.409999999999997 110.365 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -82.39 5.28 20.89 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.458 1.099 . . . . 71.439999999999998 109.302 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 1.067 ' HB1' HD11 ' A' ' 94' ' ' ILE . . . -76.06 61.0 1.49 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.466 1.104 . . . . 73.430000000000007 109.292 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.593 ' C ' ' O ' ' A' ' 89' ' ' ALA . 0.3 OUTLIER -24.58 124.11 0.05 OUTLIER 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.537 1.148 . . . . 71.209999999999994 109.283 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 40.4 mmm -49.42 -21.29 0.87 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 71.209999999999994 111.004 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 3.2 p -68.54 -48.16 65.02 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.423 1.077 . . . . 61.219999999999999 109.932 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -73.56 -13.34 61.01 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.561 1.163 . . . . 70.439999999999998 109.379 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 1.067 HD11 ' HB1' ' A' ' 89' ' ' ALA . 18.3 mm -87.02 -43.46 15.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.458 1.099 . . . . 61.530000000000001 109.306 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 95' ' ' TYR . . . . . 0.711 ' CD1' HD23 ' A' ' 105' ' ' LEU . 2.2 t80 -76.02 -4.43 41.19 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.604 1.19 . . . . 52.140000000000001 111.039 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 96' ' ' GLN . . . . . 0.432 ' O ' ' CG ' ' A' ' 96' ' ' GLN . 1.6 tt0 -102.81 -10.78 18.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.562 1.164 . . . . 73.329999999999998 110.215 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -120.81 -6.16 9.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 70.129999999999995 110.254 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 98' ' ' HIS . . . . . 0.744 ' HB2' HD11 ' A' ' 105' ' ' LEU . 39.0 m170 -122.11 11.29 10.18 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.526 1.141 . . . . 62.030000000000001 109.571 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.495 ' HB3' ' O ' ' A' ' 95' ' ' TYR . 0.1 OUTLIER -67.37 157.83 33.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 60.420000000000002 109.287 -179.974 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 100' ' ' ASP . . . . . 0.43 ' O ' ' N ' ' A' ' 103' ' ' GLY . 0.1 OUTLIER -130.75 175.37 9.09 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.527 1.142 . . . . 64.510000000000005 109.275 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 36.9 mtmt -45.89 -50.45 14.43 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.491 1.119 . . . . 74.239999999999995 109.252 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 102' ' ' ASP . . . . . 0.412 ' HB3' ' CE2' ' A' ' 11' ' ' PHE . 0.4 OUTLIER -63.5 -31.77 73.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 52.350000000000001 109.234 -179.942 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 103' ' ' GLY . . . . . 0.43 ' N ' ' O ' ' A' ' 100' ' ' ASP . . . 100.62 -37.75 3.44 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.456 1.097 . . . . 42.140000000000001 110.979 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 104' ' ' PHE . . . . . 0.65 ' CE1' ' NZ ' ' A' ' 48' ' ' LYS . 2.9 m-85 -58.04 121.83 11.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 0.747 . . . . 73.230000000000004 110.972 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.804 ' HB3' HG23 ' A' ' 31' ' ' VAL . 0.3 OUTLIER -63.54 144.63 56.83 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.412 1.07 . . . . 74.420000000000002 109.302 179.945 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 106' ' ' TYR . . . . . 0.498 ' OH ' ' CZ ' ' A' ' 14' ' ' ARG . 34.7 m-85 -121.59 88.14 2.88 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 64.400000000000006 111.007 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 107' ' ' VAL . . . . . 0.589 HG22 HG23 ' A' ' 78' ' ' ILE . 6.0 p -101.0 170.43 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.541 1.15 . . . . 71.319999999999993 109.289 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 108' ' ' THR . . . . . 0.513 HG23 ' HB3' ' A' ' 34' ' ' GLU . 0.2 OUTLIER -152.92 137.16 16.53 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.514 1.134 . . . . 74.209999999999994 110.402 -179.969 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 109' ' ' TYR . . . . . 0.768 ' CD2' HD11 ' A' ' 76' ' ' ILE . 41.3 p90 -118.57 134.7 54.9 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.444 1.09 . . . . 63.539999999999999 111.058 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 110' ' ' SER . . . . . 0.476 ' HB3' ' CB ' ' A' ' 36' ' ' ALA . 2.9 p -137.99 135.07 35.61 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.45 1.094 . . . . 73.5 110.043 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -57.53 -16.04 20.22 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.533 1.146 . . . . 54.340000000000003 110.932 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 112' ' ' GLU . . . . . 0.409 ' O ' ' OG ' ' A' ' 110' ' ' SER . 4.4 pt-20 -102.22 125.33 48.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.45 0.736 . . . . 65.25 110.275 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 113' ' ' ASN . . . . . 0.474 ' HB2' ' CE1' ' A' ' 77' ' ' PHE . 42.1 t30 . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.125 . . . . 71.129999999999995 109.296 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 629' ' ' ILE . . . . . 0.607 ' C ' HD12 ' B' ' 629' ' ' ILE . 1.5 pp . . . . . 0 N--CA 1.454 -0.243 0 N-CA-C 109.313 -0.625 . . . . 61.409999999999997 109.313 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 630' ' ' ALA . . . . . 0.996 ' C ' HG21 ' A' ' 63' ' ' VAL . . . . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.54 1.15 . . . . 73.25 109.332 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.442 ' O ' ' N ' ' A' ' 7' ' ' SER . 2.8 p . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 110.411 -0.218 . . . . 74.439999999999998 110.411 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' PHE . . . . . 0.596 ' CE2' ' OH ' ' A' ' 9' ' ' TYR . 0.8 OUTLIER -47.43 -23.74 0.67 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.49 1.119 . . . . 75.109999999999999 111.001 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.472 ' HG3' ' CZ ' ' A' ' 14' ' ' ARG . 13.2 tttm -100.46 -26.56 13.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.112 . . . . 72.109999999999999 109.288 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' SER . . . . . 0.442 ' N ' ' O ' ' A' ' 4' ' ' THR . 0.6 OUTLIER -72.8 -3.67 26.88 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.608 1.193 . . . . 63.350000000000001 110.047 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 8' ' ' GLU . . . . . 0.477 ' HB3' ' CD1' ' A' ' 9' ' ' TYR . 35.6 tt0 -85.05 -56.22 3.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 75.049999999999997 110.267 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' TYR . . . . . 0.596 ' OH ' ' CE2' ' A' ' 5' ' ' PHE . 0.3 OUTLIER -121.06 168.93 9.81 Favored Pre-proline 0 C--N 1.324 -0.528 0 O-C-N 124.501 1.126 . . . . 62.130000000000003 111.003 179.972 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -176.76 3.04 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.547 1.814 . . . . 44.439999999999998 110.969 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.53 ' C ' ' CD1' ' A' ' 11' ' ' PHE . 0.2 OUTLIER -70.84 -36.58 72.95 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.129 . . . . 73.120000000000005 110.963 -179.961 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 -59.18 -20.24 52.13 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 72.25 110.339 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.45 ' CE ' ' HA ' ' A' ' 13' ' ' LYS . 1.3 tpmt? -77.68 -22.7 50.14 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.141 . . . . 72.310000000000002 109.257 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.601 ' NH2' HH21 ' A' ' 47' ' ' ARG . 0.2 OUTLIER -91.34 -39.16 12.18 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.434 1.084 . . . . 72.400000000000006 110.212 -179.899 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 40.5 pttt -60.99 -38.4 85.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 63.020000000000003 109.27 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -78.19 -21.32 50.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.103 . . . . 52.130000000000003 109.308 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 26.8 tp10 -75.32 -56.45 4.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 64.25 110.336 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 51.9 p -59.52 -15.74 19.95 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.613 1.195 . . . . 73.400000000000006 109.955 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -68.76 -23.34 64.31 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.492 1.12 . . . . 72.310000000000002 110.297 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 8.6 mtm180 -101.75 -37.98 8.07 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.514 1.134 . . . . 74.030000000000001 110.344 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 11.4 mt -59.16 -20.98 18.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.54 1.15 . . . . 70.129999999999995 109.292 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -76.2 -25.03 54.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.46 1.1 . . . . 53.32 109.289 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -92.9 -20.08 21.01 Favored 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.548 1.155 . . . . 74.040000000000006 109.283 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 7.1 mtp180 -90.12 -60.76 1.84 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 72.200000000000003 110.361 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -126.79 84.26 63.43 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 64.319999999999993 110.977 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 -24.5 12.85 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.588 1.836 . . . . 74.200000000000003 111.057 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.437 ' OD1' ' N ' ' A' ' 27' ' ' ASN . 0.1 OUTLIER -94.41 41.73 1.09 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.605 1.191 . . . . 72.439999999999998 109.333 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.503 ' O ' HD13 ' A' ' 29' ' ' ILE . 9.3 mmt85 -130.87 179.41 5.99 Favored 'General case' 0 C--N 1.327 -0.403 0 O-C-N 124.493 1.121 . . . . 75.129999999999995 110.187 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.503 HD13 ' O ' ' A' ' 28' ' ' ARG . 41.0 mm -141.4 97.59 6.76 Favored Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.475 1.11 . . . . 73.209999999999994 109.292 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.575 ' HD2' ' CE2' ' A' ' 95' ' ' TYR . 18.4 Cg_endo -75.03 126.45 9.96 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.514 1.797 . . . . 64.019999999999996 110.991 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.411 ' O ' ' O ' ' A' ' 49' ' ' TYR . 0.9 OUTLIER -137.16 173.73 12.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.51 1.131 . . . . 75.340000000000003 109.23 -179.965 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.662 HG22 ' HB2' ' A' ' 47' ' ' ARG . 6.2 mm -135.68 98.4 2.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.108 . . . . 65.239999999999995 109.297 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.646 ' HA ' HG13 ' A' ' 107' ' ' VAL . 1.7 t -73.64 136.65 43.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.543 1.152 . . . . 43.200000000000003 108.246 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.961 ' HB3' HG23 ' A' ' 108' ' ' THR . 8.5 tm-20 -144.37 161.13 39.76 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.491 1.119 . . . . 74.129999999999995 110.267 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.533 ' HG2' ' CE2' ' A' ' 109' ' ' TYR . 0.0 OUTLIER -117.44 128.45 55.02 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.439 1.087 . . . . 74.109999999999999 109.258 -179.949 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.422 ' N ' ' HD2' ' A' ' 35' ' ' LYS . . . -69.55 134.74 49.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.546 1.154 . . . . 61.539999999999999 109.338 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.426 ' CG ' ' N ' ' A' ' 38' ' ' LYS . 10.3 pt-20 -60.3 -53.25 59.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.571 1.169 . . . . 72.099999999999994 110.336 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.426 ' N ' ' CG ' ' A' ' 37' ' ' GLU . 10.6 mmmt -41.05 -45.0 2.56 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.632 1.207 . . . . 70.129999999999995 109.259 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.4 ' O ' ' O ' ' A' ' 38' ' ' LYS . 2.1 t -43.76 166.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 61.219999999999999 109.986 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 33.0 t0 -113.87 -5.97 13.22 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.128 . . . . 65.120000000000005 109.247 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.614 HD11 ' CE2' ' A' ' 109' ' ' TYR . 0.1 OUTLIER -74.39 165.65 51.68 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.536 1.147 . . . . 75.430000000000007 109.362 179.953 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 42' ' ' PRO . . . . . 0.419 ' O ' HG21 ' A' ' 68' ' ' ILE . 18.2 Cg_endo -75.0 126.57 10.06 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.506 1.793 . . . . 64.400000000000006 110.983 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -63.47 145.22 56.06 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.464 1.103 . . . . 74.430000000000007 110.224 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.545 HD11 ' OH ' ' A' ' 49' ' ' TYR . 10.5 tt -68.82 160.94 4.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.432 1.083 . . . . 73.530000000000001 109.209 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' ASP . . . . . 0.413 ' OD2' ' CD ' ' A' ' 46' ' ' LYS . 0.6 OUTLIER -64.27 -45.65 87.1 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.534 1.146 . . . . 74.129999999999995 109.293 179.951 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.494 ' N ' ' CD ' ' A' ' 46' ' ' LYS . 0.0 OUTLIER -153.81 163.03 40.72 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.459 1.099 . . . . 72.310000000000002 109.256 -179.905 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.662 ' HB2' HG22 ' A' ' 32' ' ' ILE . 9.2 ptm180 -109.48 95.49 5.66 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.463 1.102 . . . . 73.310000000000002 110.395 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.579 ' HB2' ' CD2' ' A' ' 5' ' ' PHE . 25.6 tptt -166.53 106.91 0.66 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 65.409999999999997 109.275 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.572 ' CE1' ' HB3' ' A' ' 33' ' ' CYS . 15.9 m-85 -133.36 150.46 51.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 72.340000000000003 111.074 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.446 HD13 ' HA ' ' A' ' 30' ' ' PRO . 6.9 tp -135.2 77.9 1.7 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.444 1.09 . . . . 74.329999999999998 109.311 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.737 HG11 ' CD1' ' A' ' 60' ' ' PHE . 16.0 m -79.6 151.3 74.22 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.501 1.126 . . . . 63.399999999999999 109.257 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' PRO . . . . . 0.468 ' HD3' ' CB ' ' B' ' 630' ' ' ALA . 18.1 Cg_endo -75.06 -178.24 4.04 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.539 1.81 . . . . 72.439999999999998 110.879 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -93.81 17.84 11.35 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.434 1.083 . . . . 72.450000000000003 109.277 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.523 ' O ' ' CD2' ' A' ' 90' ' ' LEU . 0.2 OUTLIER -118.66 -35.58 3.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.632 1.207 . . . . 72.409999999999997 109.283 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.619 HD13 ' HB1' ' B' ' 630' ' ' ALA . 0.4 OUTLIER -60.71 132.42 53.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.417 1.073 . . . . 73.349999999999994 109.285 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.724 HG22 ' CD2' ' A' ' 90' ' ' LEU . 9.4 p -93.8 172.93 7.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.099 . . . . 33.539999999999999 110.382 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.4 ' HB ' ' O ' ' A' ' 86' ' ' PRO . 2.3 t -58.77 -55.59 22.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.582 1.176 . . . . 60.439999999999998 109.306 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -60.24 -13.99 31.1 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.568 1.167 . . . . 73.230000000000004 110.982 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' GLN . . . . . 0.457 ' CG ' ' OG1' ' A' ' 56' ' ' THR . 3.6 mm100 -89.14 -26.47 21.3 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.504 0.767 . . . . 74.530000000000001 110.292 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.737 ' CD1' HG11 ' A' ' 51' ' ' VAL . 55.1 t80 -76.1 -49.54 17.13 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.426 1.079 . . . . 73.030000000000001 110.994 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.81 HG13 ' CG2' ' A' ' 76' ' ' ILE . 48.4 t -41.77 -41.11 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.543 1.152 . . . . 73.010000000000005 109.353 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -51.76 -44.59 63.41 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.444 1.09 . . . . 74.540000000000006 111.004 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.597 HG21 ' CA ' ' B' ' 630' ' ' ALA . 68.8 t -65.23 -45.37 93.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.368 1.043 . . . . 65.319999999999993 109.333 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.598 HG21 ' CG ' ' A' ' 109' ' ' TYR . 4.4 mm -60.47 -33.32 53.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 74.049999999999997 109.342 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.611 HH21 HG22 ' A' ' 76' ' ' ILE . 9.2 tpp85 -79.98 -3.28 47.66 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 63.25 110.25 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 1.2 mttm -93.46 -46.88 7.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.559 1.162 . . . . 71.450000000000003 109.342 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' ARG . . . . . 0.416 ' HG3' HD11 ' A' ' 44' ' ' ILE . 4.2 mmp_? -52.7 -58.18 7.68 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.559 1.162 . . . . 74.150000000000006 110.264 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.498 ' O ' ' CG ' ' A' ' 69' ' ' MET . 7.1 pt -83.61 -3.47 7.62 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 O-C-N 124.519 1.137 . . . . 74.209999999999994 109.331 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' MET . . . . . 0.498 ' CG ' ' O ' ' A' ' 68' ' ' ILE . 4.9 ptp 42.77 44.03 3.64 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.438 1.086 . . . . 64.340000000000003 110.981 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.468 ' HB3' ' CD ' ' A' ' 65' ' ' ARG . 5.0 tp -62.59 140.91 96.9 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.641 1.213 . . . . 62.43 109.316 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 169.82 21.78 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.441 1.758 . . . . 75.310000000000002 111.002 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -74.94 -0.43 9.93 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.555 1.818 . . . . 73.310000000000002 110.999 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -92.0 6.6 45.74 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.544 1.153 . . . . 75.109999999999999 110.269 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.05 -179.37 4.13 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.521 1.138 . . . . 74.239999999999995 109.308 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -138.54 143.68 39.58 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.476 1.11 . . . . 54.009999999999998 109.248 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.81 ' CG2' HG13 ' A' ' 61' ' ' VAL . 2.1 tt -138.17 121.44 20.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.442 1.089 . . . . 71.129999999999995 109.297 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.668 ' HB3' HD21 ' A' ' 84' ' ' LEU . 90.9 m-85 -119.38 134.87 55.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.442 1.089 . . . . 70.230000000000004 110.999 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.596 ' O ' HD23 ' A' ' 84' ' ' LEU . 1.9 mm -84.39 138.03 19.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 70.040000000000006 109.268 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -127.28 125.2 40.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 63.119999999999997 111.056 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.734 ' O ' HG22 ' A' ' 83' ' ' THR . 2.6 t -130.16 105.85 12.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.54 1.15 . . . . 75.209999999999994 109.34 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' ASN . . . . . 0.465 ' O ' ' CB ' ' A' ' 82' ' ' ASP . 1.7 m120 71.2 21.93 4.57 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.487 1.117 . . . . 74.420000000000002 109.275 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' ASP . . . . . 0.465 ' CB ' ' O ' ' A' ' 81' ' ' ASN . 1.0 OUTLIER 80.69 24.51 0.32 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.52 1.138 . . . . 75.129999999999995 109.274 179.964 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 83' ' ' THR . . . . . 0.734 HG22 ' O ' ' A' ' 80' ' ' VAL . 1.2 t -125.51 148.33 48.92 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.408 1.067 . . . . 74.25 110.429 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.668 HD21 ' HB3' ' A' ' 77' ' ' PHE . 1.8 mt -106.15 105.35 53.51 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 64.219999999999999 109.252 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.1 153.24 41.15 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.551 1.816 . . . . 73.140000000000001 111.024 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' PRO . . . . . 0.726 ' HD2' ' HB2' ' A' ' 89' ' ' ALA . 18.6 Cg_endo -74.88 177.01 9.11 Favored 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.535 1.808 . . . . 70.439999999999998 111.049 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 20.8 p -78.29 -33.24 49.54 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.424 1.078 . . . . 62.409999999999997 110.421 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -79.63 3.37 19.24 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 124.531 1.144 . . . . 71.439999999999998 109.266 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 1.048 ' HB1' HD11 ' A' ' 94' ' ' ILE . . . -77.49 60.34 2.07 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.375 1.047 . . . . 73.430000000000007 109.342 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.724 ' CD2' HG22 ' A' ' 56' ' ' THR . 12.9 mt -28.98 117.94 0.12 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.44 1.088 . . . . 71.209999999999994 109.334 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 91' ' ' MET . . . . . 0.591 ' HE2' HG21 ' A' ' 51' ' ' VAL . 49.5 mmm -38.55 -28.92 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.506 1.129 . . . . 71.209999999999994 110.993 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 92' ' ' SER . . . . . 0.454 ' N ' ' O ' ' A' ' 90' ' ' LEU . 1.0 OUTLIER -66.7 -51.92 50.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.457 1.098 . . . . 61.219999999999999 109.948 -179.959 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 93' ' ' ALA . . . . . 0.448 ' N ' ' O ' ' A' ' 90' ' ' LEU . . . -68.37 -9.41 47.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.541 1.151 . . . . 70.439999999999998 109.292 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 1.048 HD11 ' HB1' ' A' ' 89' ' ' ALA . 24.1 mm -90.8 -47.07 14.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.457 1.098 . . . . 61.530000000000001 109.247 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 95' ' ' TYR . . . . . 0.833 ' CD2' HD23 ' A' ' 105' ' ' LEU . 7.1 t80 -70.04 -6.31 32.68 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.557 1.161 . . . . 52.140000000000001 111.073 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 96' ' ' GLN . . . . . 0.448 ' O ' ' CG ' ' A' ' 96' ' ' GLN . 2.3 tp60 -101.01 -9.84 21.08 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.41 1.069 . . . . 73.329999999999998 110.293 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -116.93 -11.46 10.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.14 . . . . 70.129999999999995 110.243 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 98' ' ' HIS . . . . . 0.402 ' HB2' HD11 ' A' ' 105' ' ' LEU . 32.6 m170 -125.97 16.91 7.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.45 1.093 . . . . 62.030000000000001 109.668 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.474 ' HB3' ' O ' ' A' ' 95' ' ' TYR . 0.1 OUTLIER -55.46 156.51 4.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.548 1.155 . . . . 60.420000000000002 109.195 -179.875 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -125.02 170.16 11.42 Favored 'General case' 0 C--N 1.326 -0.413 0 O-C-N 124.485 1.116 . . . . 64.510000000000005 109.269 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 32.6 mtmt -60.03 -27.04 66.57 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 74.239999999999995 109.347 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 102' ' ' ASP . . . . . 0.475 ' HB3' ' CE2' ' A' ' 11' ' ' PHE . 0.5 OUTLIER -86.19 -15.92 39.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.433 1.083 . . . . 52.350000000000001 109.243 -179.972 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 103' ' ' GLY . . . . . 0.591 ' O ' ' CE2' ' A' ' 95' ' ' TYR . . . 90.63 -36.45 3.59 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.513 1.133 . . . . 42.140000000000001 110.948 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 18.4 m-85 -64.12 131.67 48.19 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.429 0.723 . . . . 73.230000000000004 110.991 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.833 HD23 ' CD2' ' A' ' 95' ' ' TYR . 0.2 OUTLIER -75.55 147.88 39.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.607 1.192 . . . . 74.420000000000002 109.414 179.964 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 60.0 m-85 -121.95 95.24 4.58 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.415 1.072 . . . . 64.400000000000006 111.038 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 107' ' ' VAL . . . . . 0.646 HG13 ' HA ' ' A' ' 33' ' ' CYS . 2.6 p -105.23 165.57 3.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.527 1.142 . . . . 71.319999999999993 109.372 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 108' ' ' THR . . . . . 0.961 HG23 ' HB3' ' A' ' 34' ' ' GLU . 0.4 OUTLIER -154.57 118.2 4.59 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.122 . . . . 74.209999999999994 110.382 179.967 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 109' ' ' TYR . . . . . 0.664 ' CD2' HD11 ' A' ' 76' ' ' ILE . 32.6 p90 -97.76 137.49 36.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.455 1.097 . . . . 63.539999999999999 110.976 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 1.2 p -132.3 158.22 42.42 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.532 1.145 . . . . 73.5 110.001 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 111' ' ' GLY . . . . . 0.478 ' HA3' ' CG2' ' A' ' 41' ' ' ILE . . . -81.87 0.95 87.77 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.473 1.108 . . . . 54.340000000000003 110.995 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -122.83 158.96 29.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 0.774 . . . . 65.25 110.387 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 113' ' ' ASN . . . . . 0.534 ' O ' ' ND2' ' A' ' 113' ' ' ASN . 1.9 t30 . . . . . 0 C--N 1.324 -0.536 0 O-C-N 124.425 1.078 . . . . 71.129999999999995 109.327 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 629' ' ' ILE . . . . . 0.585 ' HA ' HG11 ' A' ' 63' ' ' VAL . 0.5 OUTLIER . . . . . 0 CA--C 1.531 0.222 0 N-CA-C 109.209 -0.663 . . . . 61.409999999999997 109.209 . . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 630' ' ' ALA . . . . . 0.619 ' HB1' HD13 ' A' ' 55' ' ' LEU . . . . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 73.25 109.284 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 110.332 -0.247 . . . . 74.439999999999998 110.332 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' PHE . . . . . 0.641 ' CZ ' ' OH ' ' A' ' 9' ' ' TYR . 28.7 t80 -63.95 -16.97 62.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.54 1.15 . . . . 75.109999999999999 111.109 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.54 ' HE2' ' CE2' ' A' ' 106' ' ' TYR . 4.9 tptt -100.64 -14.99 17.92 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.487 1.117 . . . . 72.109999999999999 109.312 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 10.0 t -96.03 5.28 51.53 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.524 1.14 . . . . 63.350000000000001 110.005 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -80.9 -64.67 1.14 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.553 1.158 . . . . 75.049999999999997 110.27 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' TYR . . . . . 0.641 ' OH ' ' CZ ' ' A' ' 5' ' ' PHE . 4.7 p90 -112.5 166.39 11.09 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.456 1.097 . . . . 62.130000000000003 111.008 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -74.97 -176.76 3.03 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.514 1.797 . . . . 44.439999999999998 111.056 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.458 ' CE1' ' HD3' ' A' ' 15' ' ' LYS . 22.7 t80 -63.86 -50.21 69.73 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.515 1.134 . . . . 73.120000000000005 111.004 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 25.6 mt-10 -47.78 -21.1 0.35 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.553 1.158 . . . . 72.25 110.347 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.52 ' HB3' ' CD2' ' A' ' 9' ' ' TYR . 0.1 OUTLIER -86.55 -54.5 4.37 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.548 1.155 . . . . 72.310000000000002 109.311 179.945 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.507 ' CZ ' ' OH ' ' A' ' 106' ' ' TYR . 22.0 ptt180 -65.47 -12.89 56.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 72.400000000000006 110.271 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.458 ' HD3' ' CE1' ' A' ' 11' ' ' PHE . 26.3 pttt -87.94 -40.62 13.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.549 1.156 . . . . 63.020000000000003 109.293 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -80.55 -8.43 59.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.573 1.17 . . . . 52.130000000000003 109.302 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.413 ' O ' ' CG ' ' A' ' 20' ' ' ARG . 3.3 tp10 -86.7 -61.98 1.61 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.519 1.137 . . . . 64.25 110.322 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.404 ' OG ' ' O ' ' A' ' 14' ' ' ARG . 0.0 OUTLIER -56.55 -17.99 10.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.102 . . . . 73.400000000000006 109.937 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -75.25 -37.37 61.02 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.463 1.102 . . . . 72.310000000000002 110.286 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.413 ' CG ' ' O ' ' A' ' 17' ' ' GLU . 6.3 ptm180 -87.19 -27.77 22.81 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.397 1.06 . . . . 74.030000000000001 110.253 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.432 ' O ' ' N ' ' A' ' 25' ' ' PHE . 3.6 mt -58.55 -19.84 15.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.129 . . . . 70.129999999999995 109.321 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -70.48 -29.79 66.42 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.515 1.135 . . . . 53.32 109.298 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -84.12 -40.0 18.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.569 1.168 . . . . 74.040000000000006 109.284 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.56 ' HB3' ' CE2' ' A' ' 25' ' ' PHE . 10.7 mtp180 -80.29 -18.47 49.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.577 1.173 . . . . 72.200000000000003 110.302 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.56 ' CE2' ' HB3' ' A' ' 24' ' ' ARG . 39.7 m-85 -159.37 75.36 3.21 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 64.319999999999993 110.997 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -38.07 1.73 Allowed 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.491 1.785 . . . . 74.200000000000003 110.947 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 35.1 m-20 -91.74 41.48 1.07 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 72.439999999999998 109.314 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.56 ' HB3' HD11 ' A' ' 50' ' ' LEU . 2.6 mmt-85 -129.6 -178.43 4.68 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.127 . . . . 75.129999999999995 110.327 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.576 HG23 ' CB ' ' A' ' 95' ' ' TYR . 34.9 mm -146.56 97.11 4.35 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.462 1.101 . . . . 73.209999999999994 109.254 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.592 ' HD2' ' CE2' ' A' ' 95' ' ' TYR . 18.4 Cg_endo -74.93 139.93 25.04 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.48 1.779 . . . . 64.019999999999996 111.007 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.7 HG23 ' HB3' ' A' ' 105' ' ' LEU . 7.5 p -156.96 139.57 6.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 75.340000000000003 109.312 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.48 HG23 ' HB2' ' A' ' 47' ' ' ARG . 12.3 mm -100.24 116.77 44.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 65.239999999999995 109.352 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.576 ' HB2' ' CD2' ' A' ' 49' ' ' TYR . 0.5 OUTLIER -99.56 130.36 45.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 43.200000000000003 108.258 -179.948 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.733 ' CG ' HG23 ' A' ' 108' ' ' THR . 7.6 pt-20 -127.4 166.07 18.58 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 74.129999999999995 110.267 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.512 ' HG2' ' CE1' ' A' ' 109' ' ' TYR . 0.0 OUTLIER -107.62 97.41 7.14 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.484 1.115 . . . . 74.109999999999999 109.231 -179.922 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.566 ' HB2' HG22 ' A' ' 108' ' ' THR . . . -38.7 141.93 0.24 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.432 1.083 . . . . 61.539999999999999 109.303 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.422 ' CG ' ' N ' ' A' ' 38' ' ' LYS . 9.9 pt-20 -67.95 -53.07 29.0 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.467 1.104 . . . . 72.099999999999994 110.242 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.422 ' N ' ' CG ' ' A' ' 37' ' ' GLU . 35.9 mttp -47.16 -25.29 0.86 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.453 1.095 . . . . 70.129999999999995 109.306 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.413 ' N ' ' C ' ' A' ' 37' ' ' GLU . 2.9 t -59.79 156.69 13.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 61.219999999999999 110.034 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -115.95 -0.58 12.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.111 . . . . 65.120000000000005 109.334 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.577 HD11 ' CE1' ' A' ' 109' ' ' TYR . 0.1 OUTLIER -77.78 170.08 17.97 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 75.430000000000007 109.297 -179.971 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 42' ' ' PRO . . . . . 0.406 ' HD2' ' HB ' ' A' ' 41' ' ' ILE . 18.2 Cg_endo -75.02 129.34 12.24 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.599 1.842 . . . . 64.400000000000006 110.93 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 14.0 tt0 -57.96 166.34 1.53 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.432 1.082 . . . . 74.430000000000007 110.285 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.41 HD11 ' OH ' ' A' ' 49' ' ' TYR . 17.3 tt -96.54 167.37 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 73.530000000000001 109.217 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' ASP . . . . . 0.653 ' HB3' ' HZ3' ' A' ' 46' ' ' LYS . 7.9 t0 -69.23 -51.75 34.62 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.415 1.072 . . . . 74.129999999999995 109.356 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.653 ' HZ3' ' HB3' ' A' ' 45' ' ' ASP . 0.0 OUTLIER -144.45 177.07 8.91 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.524 1.14 . . . . 72.310000000000002 109.363 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.48 ' HB2' HG23 ' A' ' 32' ' ' ILE . 7.7 ptp180 -124.42 92.74 3.73 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 73.310000000000002 110.291 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.591 ' HG3' ' CZ ' ' A' ' 5' ' ' PHE . 4.1 tmtt? -167.69 115.09 0.75 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.443 1.089 . . . . 65.409999999999997 109.3 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.642 ' CZ ' ' CD1' ' A' ' 64' ' ' ILE . 58.5 m-85 -139.21 116.11 10.88 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.542 1.151 . . . . 72.340000000000003 110.946 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.56 HD11 ' HB3' ' A' ' 28' ' ' ARG . 11.6 tp -106.32 75.55 1.09 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 74.329999999999998 109.243 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.832 HG21 ' SD ' ' A' ' 91' ' ' MET . 34.1 m -75.11 156.06 86.07 Favored Pre-proline 0 C--N 1.324 -0.536 0 O-C-N 124.492 1.12 . . . . 63.399999999999999 109.312 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -74.88 174.3 12.99 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.411 1.743 . . . . 72.439999999999998 111.055 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -87.38 18.81 3.57 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 72.450000000000003 109.355 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -120.11 -38.38 2.94 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 72.409999999999997 109.359 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.594 HD21 ' O ' ' B' ' 630' ' ' ALA . 0.7 OUTLIER -58.53 148.93 26.84 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.44 1.088 . . . . 73.349999999999994 109.269 179.944 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.484 HG22 HD12 ' A' ' 90' ' ' LEU . 1.3 p -106.61 -158.2 0.65 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 33.539999999999999 110.405 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.682 ' O ' HG23 ' A' ' 61' ' ' VAL . 2.6 t -86.81 -41.37 14.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 60.439999999999998 109.192 -179.917 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -66.73 -27.73 73.42 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.5 1.125 . . . . 73.230000000000004 111.044 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' GLN . . . . . 0.417 ' CB ' ' HG ' ' A' ' 55' ' ' LEU . 28.7 mt-30 -81.16 -25.52 36.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 0.776 . . . . 74.530000000000001 110.275 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.407 ' HE1' ' CD1' ' A' ' 49' ' ' TYR . 36.0 t80 -78.85 -42.6 27.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 73.030000000000001 110.988 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.719 HG13 HG23 ' A' ' 76' ' ' ILE . 89.6 t -55.43 -32.52 29.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 73.010000000000005 109.297 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -57.11 -43.29 82.14 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.518 1.136 . . . . 74.540000000000006 110.939 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.602 HG21 ' C ' ' B' ' 630' ' ' ALA . 28.5 t -68.64 -46.5 79.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 65.319999999999993 109.328 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.642 ' CD1' ' CZ ' ' A' ' 49' ' ' TYR . 18.3 mm -59.2 -34.41 53.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.591 1.182 . . . . 74.049999999999997 109.334 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.533 ' HE ' HG22 ' A' ' 76' ' ' ILE . 6.0 tpp85 -79.36 -6.4 56.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 63.25 110.369 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 2.2 mttm -98.0 -35.69 10.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.453 1.096 . . . . 71.450000000000003 109.295 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.45 -39.79 84.78 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.565 1.165 . . . . 74.150000000000006 110.299 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.485 HD11 HD12 ' A' ' 76' ' ' ILE . 2.5 pt -103.89 6.96 10.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.461 1.101 . . . . 74.209999999999994 109.253 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 4.7 ptt? 38.11 43.42 0.56 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.443 1.089 . . . . 64.340000000000003 110.972 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.44 HD12 ' HA ' ' A' ' 70' ' ' LEU . 5.5 tp -53.47 140.48 46.23 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.424 1.077 . . . . 62.43 109.316 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 170.1 21.15 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.489 1.784 . . . . 75.310000000000002 111.003 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.92 -1.36 11.1 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.515 1.797 . . . . 73.310000000000002 110.977 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 20.1 pt-20 -94.12 -14.91 25.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.109 . . . . 75.109999999999999 110.337 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 11.8 mttt -107.43 -179.5 3.94 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.122 . . . . 74.239999999999995 109.29 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -144.71 170.26 16.42 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.467 1.105 . . . . 54.009999999999998 109.36 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.811 HD11 ' CD1' ' A' ' 109' ' ' TYR . 1.3 tt -154.49 129.44 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 71.129999999999995 109.311 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.723 ' HB3' HD11 ' A' ' 84' ' ' LEU . 95.7 m-85 -129.07 136.36 50.15 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.459 1.099 . . . . 70.230000000000004 110.997 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.647 ' CG1' HG22 ' A' ' 61' ' ' VAL . 4.8 mm -86.49 130.64 36.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.456 1.097 . . . . 70.040000000000006 109.31 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -119.98 121.17 38.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.572 1.17 . . . . 63.119999999999997 111.039 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.664 HG22 ' OD1' ' A' ' 81' ' ' ASN . 13.1 p -124.33 113.58 37.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 75.209999999999994 109.311 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' ASN . . . . . 0.664 ' OD1' HG22 ' A' ' 80' ' ' VAL . 1.2 m120 67.25 32.44 6.0 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.467 1.104 . . . . 74.420000000000002 109.315 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 15.1 t0 66.35 14.54 9.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.423 1.077 . . . . 75.129999999999995 109.297 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' THR . . . . . 0.51 ' O ' ' CG2' ' A' ' 83' ' ' THR . 0.5 OUTLIER -125.45 111.75 15.46 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.436 1.085 . . . . 74.25 110.382 -179.961 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.723 HD11 ' HB3' ' A' ' 77' ' ' PHE . 0.4 OUTLIER -72.11 116.87 53.07 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.539 1.149 . . . . 64.219999999999999 109.32 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 85' ' ' PRO . . . . . 0.423 ' HD3' HG12 ' A' ' 80' ' ' VAL . 18.3 Cg_endo -74.91 159.87 41.12 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.375 1.724 . . . . 73.140000000000001 111.005 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 86' ' ' PRO . . . . . 0.786 ' HD2' ' HB2' ' A' ' 89' ' ' ALA . 18.8 Cg_endo -75.0 177.85 8.05 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.544 1.813 . . . . 70.439999999999998 111.003 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 4.6 p -79.33 -33.6 42.97 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.507 1.13 . . . . 62.409999999999997 110.403 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -84.08 9.62 12.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.1 . . . . 71.439999999999998 109.347 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 1.052 ' HB1' HD11 ' A' ' 94' ' ' ILE . . . -74.71 63.2 1.12 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 73.430000000000007 109.27 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.531 ' C ' ' O ' ' A' ' 89' ' ' ALA . 0.7 OUTLIER -30.37 111.19 0.07 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 71.209999999999994 109.333 179.97 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 91' ' ' MET . . . . . 0.832 ' SD ' HG21 ' A' ' 51' ' ' VAL . 0.0 OUTLIER -37.37 -30.27 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.135 . . . . 71.209999999999994 110.961 -179.965 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 92' ' ' SER . . . . . 0.46 ' N ' ' O ' ' A' ' 90' ' ' LEU . 2.2 t -63.37 -52.23 62.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.146 . . . . 61.219999999999999 110.009 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 93' ' ' ALA . . . . . 0.463 ' N ' ' O ' ' A' ' 90' ' ' LEU . . . -67.99 -32.45 72.85 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.456 1.097 . . . . 70.439999999999998 109.207 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 1.052 HD11 ' HB1' ' A' ' 89' ' ' ALA . 25.5 mm -64.49 -47.1 90.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.426 1.079 . . . . 61.530000000000001 109.308 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 95' ' ' TYR . . . . . 0.592 ' CE2' ' HD2' ' A' ' 30' ' ' PRO . 33.6 t80 -70.54 -4.58 23.7 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.465 1.103 . . . . 52.140000000000001 110.935 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 96' ' ' GLN . . . . . 0.454 ' O ' ' CG ' ' A' ' 96' ' ' GLN . 32.3 tp60 -104.19 -9.21 18.82 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.406 1.067 . . . . 73.329999999999998 110.383 179.882 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 97' ' ' GLU . . . . . 0.569 ' HG3' ' CD2' ' A' ' 98' ' ' HIS . 10.4 pt-20 -119.59 -7.61 10.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.142 . . . . 70.129999999999995 110.307 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 98' ' ' HIS . . . . . 0.569 ' CD2' ' HG3' ' A' ' 97' ' ' GLU . 28.5 m170 -129.51 17.6 5.88 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.384 1.052 . . . . 62.030000000000001 109.627 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.494 ' HB3' ' O ' ' A' ' 95' ' ' TYR . 0.1 OUTLIER -60.29 160.25 8.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 60.420000000000002 109.293 -180.0 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -125.91 166.3 17.15 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 64.510000000000005 109.284 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 24.4 mtmt -54.02 -47.47 71.5 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.536 1.148 . . . . 74.239999999999995 109.292 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 102' ' ' ASP . . . . . 0.405 ' OD1' ' NE ' ' A' ' 14' ' ' ARG . 0.4 OUTLIER -66.95 -19.95 65.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.43 1.081 . . . . 52.350000000000001 109.262 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 101.04 -39.38 2.76 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.547 1.154 . . . . 42.140000000000001 111.035 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 104' ' ' PHE . . . . . 0.459 ' O ' ' CE1' ' A' ' 106' ' ' TYR . 1.5 m-85 -59.54 134.6 57.17 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.421 0.718 . . . . 73.230000000000004 110.996 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.7 ' HB3' HG23 ' A' ' 31' ' ' VAL . 4.3 tp -81.13 167.32 19.81 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.452 1.095 . . . . 74.420000000000002 109.251 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 106' ' ' TYR . . . . . 0.54 ' CE2' ' HE2' ' A' ' 6' ' ' LYS . 91.7 m-85 -145.07 131.54 19.75 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.511 1.132 . . . . 64.400000000000006 111.007 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 107' ' ' VAL . . . . . 0.734 HG23 ' N ' ' A' ' 108' ' ' THR . 1.5 m -138.24 -177.66 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.459 1.099 . . . . 71.319999999999993 109.319 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 108' ' ' THR . . . . . 0.734 ' N ' HG23 ' A' ' 107' ' ' VAL . 1.6 m -153.67 107.88 3.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 74.209999999999994 110.374 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 109' ' ' TYR . . . . . 0.811 ' CD1' HD11 ' A' ' 76' ' ' ILE . 9.7 p90 -95.2 122.08 37.51 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.518 1.136 . . . . 63.539999999999999 111.01 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 35.9 t -131.98 165.3 24.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.105 . . . . 73.5 109.961 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -81.18 2.17 82.38 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.488 1.117 . . . . 54.340000000000003 111.051 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -123.2 166.89 14.46 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.493 0.76 . . . . 65.25 110.29 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 63.2 t-20 . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.101 . . . . 71.129999999999995 109.304 179.984 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 629' ' ' ILE . . . . . 0.485 ' C ' HD12 ' B' ' 629' ' ' ILE . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 109.32 -0.622 . . . . 61.409999999999997 109.32 . . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 630' ' ' ALA . . . . . 0.651 ' HA ' HG12 ' A' ' 51' ' ' VAL . . . . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 73.25 109.303 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.491 ' OG1' ' CB ' ' A' ' 46' ' ' LYS . 22.5 p . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 110.319 -0.252 . . . . 74.439999999999998 110.319 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' PHE . . . . . 0.598 ' CZ ' ' OH ' ' A' ' 9' ' ' TYR . 85.6 t80 -60.6 -32.54 71.66 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.097 . . . . 75.109999999999999 111.007 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.421 ' HE3' ' NH2' ' A' ' 47' ' ' ARG . 0.0 OUTLIER -100.55 3.86 43.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.456 1.098 . . . . 72.109999999999999 109.303 179.93 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 40.0 t -109.44 5.27 23.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 63.350000000000001 110.097 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -93.35 -57.92 2.46 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.465 1.103 . . . . 75.049999999999997 110.281 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' TYR . . . . . 0.598 ' OH ' ' CZ ' ' A' ' 5' ' ' PHE . 2.3 p90 -120.79 164.94 20.34 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 62.130000000000003 110.994 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.92 173.91 13.67 Favored 'Trans proline' 0 C--N 1.361 1.223 0 O-C-N 124.466 1.772 . . . . 44.439999999999998 111.078 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.547 ' CE1' ' HB3' ' A' ' 102' ' ' ASP . 4.8 t80 -59.34 -56.45 21.92 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.482 1.114 . . . . 73.120000000000005 110.981 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.402 ' N ' ' CD2' ' A' ' 11' ' ' PHE . 23.6 mt-10 -38.57 -30.14 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.64 1.213 . . . . 72.25 110.33 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.518 ' O ' ' HB3' ' A' ' 16' ' ' ALA . 2.1 tppt? -79.07 -51.6 9.35 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.581 1.175 . . . . 72.310000000000002 109.258 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.706 ' CD ' ' CD2' ' A' ' 104' ' ' PHE . 0.1 OUTLIER -56.44 -53.82 52.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 72.400000000000006 110.378 179.95 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 5.1 pttt -45.28 -42.59 9.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.138 . . . . 63.020000000000003 109.368 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.518 ' HB3' ' O ' ' A' ' 13' ' ' LYS . . . -54.96 -40.03 69.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.558 1.161 . . . . 52.130000000000003 109.314 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.441 ' N ' ' O ' ' A' ' 14' ' ' ARG . 24.9 tp10 -62.32 -43.93 97.68 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.437 1.086 . . . . 64.25 110.261 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.45 ' HB3' ' CD2' ' A' ' 104' ' ' PHE . 0.1 OUTLIER -68.97 -22.86 64.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 73.400000000000006 109.982 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 16.8 mm-40 -72.22 -23.75 61.29 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.352 1.033 . . . . 72.310000000000002 110.33 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.436 ' CG ' ' O ' ' A' ' 17' ' ' GLU . 3.3 ptp180 -101.74 -31.15 10.91 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.529 1.143 . . . . 74.030000000000001 110.235 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.418 ' N ' ' HG3' ' A' ' 20' ' ' ARG . 4.3 mt -65.94 -19.51 25.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 70.129999999999995 109.311 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -74.31 -20.02 60.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.437 1.085 . . . . 53.32 109.286 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -105.92 -11.04 16.34 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.443 1.089 . . . . 74.040000000000006 109.31 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 12.7 mmm180 -94.03 -55.24 3.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.107 . . . . 72.200000000000003 110.269 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.463 ' HB3' ' CG ' ' A' ' 28' ' ' ARG . 5.0 m-85 -132.76 86.01 45.27 Favored Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.562 1.164 . . . . 64.319999999999993 110.909 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -32.45 5.33 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.554 1.818 . . . . 74.200000000000003 111.037 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 22.7 m-20 -91.23 40.12 1.02 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.461 1.101 . . . . 72.439999999999998 109.309 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.463 ' CG ' ' HB3' ' A' ' 25' ' ' PHE . 8.4 mmt-85 -128.43 178.39 6.31 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.554 1.159 . . . . 75.129999999999995 110.275 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.57 HG23 ' CB ' ' A' ' 95' ' ' TYR . 23.6 mm -142.15 93.66 7.23 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.429 1.081 . . . . 73.209999999999994 109.279 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.597 ' HD2' ' CE2' ' A' ' 95' ' ' TYR . 18.1 Cg_endo -74.99 119.0 5.47 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.474 1.776 . . . . 64.019999999999996 111.02 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.511 HG13 HG22 ' A' ' 51' ' ' VAL . 1.0 OUTLIER -127.66 173.2 13.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.607 1.192 . . . . 75.340000000000003 109.301 -179.988 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.664 HG22 ' HB2' ' A' ' 47' ' ' ARG . 4.8 mm -137.05 99.11 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.485 1.116 . . . . 65.239999999999995 109.26 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.624 ' HA ' HG13 ' A' ' 107' ' ' VAL . 0.5 OUTLIER -84.86 123.87 30.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.138 . . . . 43.200000000000003 108.284 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.488 ' O ' ' CG2' ' A' ' 108' ' ' THR . 53.4 tt0 -135.02 152.43 51.71 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.484 1.115 . . . . 74.129999999999995 110.265 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.975 ' HZ3' ' CB ' ' A' ' 39' ' ' SER . 0.3 OUTLIER -87.44 123.82 32.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.452 1.095 . . . . 74.109999999999999 109.336 180.0 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.451 ' N ' ' HD2' ' A' ' 35' ' ' LYS . . . -57.02 -179.73 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 61.539999999999999 109.316 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.432 ' CG ' ' N ' ' A' ' 38' ' ' LYS . 12.9 pt-20 -96.96 -50.15 4.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 72.099999999999994 110.294 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.432 ' N ' ' CG ' ' A' ' 37' ' ' GLU . 38.0 mttp -57.65 -43.67 85.09 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.452 1.095 . . . . 70.129999999999995 109.319 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.975 ' CB ' ' HZ3' ' A' ' 35' ' ' LYS . 0.1 OUTLIER -40.72 158.32 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 61.219999999999999 109.976 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -122.48 21.01 10.31 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.489 1.118 . . . . 65.120000000000005 109.282 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.619 HD11 ' CE2' ' A' ' 109' ' ' TYR . 0.1 OUTLIER -89.48 166.07 22.83 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.466 1.104 . . . . 75.430000000000007 109.276 179.992 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 42' ' ' PRO . . . . . 0.433 ' O ' HG21 ' A' ' 68' ' ' ILE . 18.4 Cg_endo -74.98 114.71 4.09 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.524 1.802 . . . . 64.400000000000006 110.99 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -48.97 156.49 0.5 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 74.430000000000007 110.322 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.518 ' CD1' ' OH ' ' A' ' 49' ' ' TYR . 5.7 tt -92.17 164.27 2.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.554 1.159 . . . . 73.530000000000001 109.322 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' ASP . . . . . 0.437 ' N ' ' CG1' ' A' ' 44' ' ' ILE . 1.4 m-20 -55.78 -57.66 11.09 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.447 1.092 . . . . 74.129999999999995 109.307 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.491 ' CB ' ' OG1' ' A' ' 4' ' ' THR . 0.0 OUTLIER -148.79 166.71 27.65 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.425 1.078 . . . . 72.310000000000002 109.38 179.961 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.664 ' HB2' HG22 ' A' ' 32' ' ' ILE . 10.8 ptm180 -107.56 95.25 5.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.425 1.078 . . . . 73.310000000000002 110.292 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.52 ' HB2' ' CG ' ' A' ' 5' ' ' PHE . 12.5 tptp -166.34 105.7 0.65 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 65.409999999999997 109.229 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.612 ' CE2' ' CD1' ' A' ' 64' ' ' ILE . 23.8 m-85 -129.15 147.65 51.02 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.489 1.118 . . . . 72.340000000000003 110.997 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.421 HD13 ' HA ' ' A' ' 30' ' ' PRO . 3.1 tp -132.27 77.47 1.76 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.392 1.058 . . . . 74.329999999999998 109.304 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.759 HG11 ' CD1' ' A' ' 60' ' ' PHE . 19.0 m -80.62 149.83 68.74 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 63.399999999999999 109.295 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' PRO . . . . . 0.479 ' HD3' ' CB ' ' B' ' 630' ' ' ALA . 18.2 Cg_endo -75.03 -178.36 4.12 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.518 1.799 . . . . 72.439999999999998 111.029 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -93.26 18.1 10.09 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.466 1.104 . . . . 72.450000000000003 109.277 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -118.58 -38.25 3.16 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.466 1.104 . . . . 72.409999999999997 109.29 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.439 ' HG ' ' CB ' ' A' ' 59' ' ' GLN . 0.7 OUTLIER -58.53 134.38 56.65 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.502 1.126 . . . . 73.349999999999994 109.201 -179.923 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 56' ' ' THR . . . . . 1.045 HG22 ' CD2' ' A' ' 90' ' ' LEU . 5.0 p -94.13 176.0 6.49 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 33.539999999999999 110.374 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.408 HG23 ' O ' ' A' ' 89' ' ' ALA . 2.9 t -63.7 -48.78 85.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 60.439999999999998 109.282 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -64.64 -10.64 45.25 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.534 1.146 . . . . 73.230000000000004 111.071 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' GLN . . . . . 0.439 ' CB ' ' HG ' ' A' ' 55' ' ' LEU . 5.4 mt-30 -96.48 -25.5 15.64 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 0.752 . . . . 74.530000000000001 110.283 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.759 ' CD1' HG11 ' A' ' 51' ' ' VAL . 32.8 t80 -75.52 -47.62 26.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.579 1.174 . . . . 73.030000000000001 110.998 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.695 HG22 ' CG1' ' A' ' 78' ' ' ILE . 59.4 t -44.16 -39.29 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 O-C-N 124.378 1.049 . . . . 73.010000000000005 109.326 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.529 ' CG ' ' N ' ' A' ' 63' ' ' VAL . 0.2 OUTLIER -53.91 -62.72 1.47 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.151 . . . . 74.540000000000006 111.028 179.923 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.726 HG21 ' HA ' ' B' ' 630' ' ' ALA . 78.8 t -43.48 -36.17 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.107 . . . . 65.319999999999993 109.301 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.612 ' CD1' ' CE2' ' A' ' 49' ' ' TYR . 4.4 mm -68.84 -61.91 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 74.049999999999997 109.351 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.467 ' CD ' ' HB3' ' A' ' 70' ' ' LEU . 6.8 tpp85 -44.26 -28.1 0.49 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.528 1.142 . . . . 63.25 110.301 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.408 ' N ' ' HD2' ' A' ' 66' ' ' LYS . 2.2 mptp? -77.2 -43.62 33.01 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.502 1.126 . . . . 71.450000000000003 109.275 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' ARG . . . . . 0.464 ' N ' ' O ' ' A' ' 64' ' ' ILE . 0.4 OUTLIER -59.43 -15.08 14.83 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.478 1.111 . . . . 74.150000000000006 110.294 -179.928 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.638 HD11 ' CD1' ' A' ' 76' ' ' ILE . 2.1 pt -130.57 7.5 2.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.515 1.134 . . . . 74.209999999999994 109.306 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' MET . . . . . 0.449 ' N ' ' O ' ' A' ' 65' ' ' ARG . 0.0 OUTLIER 35.5 34.34 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.581 1.176 . . . . 64.340000000000003 111.0 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.505 HD12 ' HA ' ' A' ' 70' ' ' LEU . 5.9 tp -49.32 140.01 13.42 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.442 1.088 . . . . 62.43 109.323 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' ' 70' ' ' LEU . 18.2 Cg_endo -75.04 165.72 30.66 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.579 1.831 . . . . 75.310000000000002 111.016 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 1.15 8.08 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.517 1.798 . . . . 73.310000000000002 111.001 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -99.0 6.76 46.54 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.517 1.136 . . . . 75.109999999999999 110.358 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.29 178.64 4.57 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.426 1.079 . . . . 74.239999999999995 109.297 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -138.58 149.14 44.98 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.503 1.127 . . . . 54.009999999999998 109.307 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.671 HD11 ' CD2' ' A' ' 109' ' ' TYR . 2.3 tt -142.7 122.51 9.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.558 1.161 . . . . 71.129999999999995 109.27 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.444 ' HB3' HD21 ' A' ' 84' ' ' LEU . 90.1 m-85 -121.19 137.48 54.65 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 70.230000000000004 110.99 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.695 ' CG1' HG22 ' A' ' 61' ' ' VAL . 4.1 mm -84.43 147.41 5.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.53 1.144 . . . . 70.040000000000006 109.342 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -136.49 124.45 22.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.106 . . . . 63.119999999999997 111.012 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.721 ' O ' HG22 ' A' ' 83' ' ' THR . 1.9 t -126.57 104.4 12.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 75.209999999999994 109.317 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' ASN . . . . . 0.49 ' O ' ' CB ' ' A' ' 82' ' ' ASP . 2.1 m120 69.77 23.34 5.72 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.501 1.125 . . . . 74.420000000000002 109.282 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' ASP . . . . . 0.49 ' CB ' ' O ' ' A' ' 81' ' ' ASN . 3.5 m-20 81.73 23.57 0.26 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 75.129999999999995 109.239 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 83' ' ' THR . . . . . 0.721 HG22 ' O ' ' A' ' 80' ' ' VAL . 1.2 t -121.22 152.08 39.25 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.525 1.141 . . . . 74.25 110.432 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.531 HD23 ' O ' ' A' ' 78' ' ' ILE . 2.1 mt -113.74 102.43 54.8 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.564 1.165 . . . . 64.219999999999999 109.307 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.08 155.09 42.55 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.475 1.776 . . . . 73.140000000000001 110.975 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' PRO . . . . . 0.732 ' HD2' ' HB2' ' A' ' 89' ' ' ALA . 18.2 Cg_endo -75.01 177.84 8.06 Favored 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.449 1.763 . . . . 70.439999999999998 110.97 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 15.8 p -78.43 -34.41 47.89 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.571 1.169 . . . . 62.409999999999997 110.347 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -79.58 4.31 16.27 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.448 1.093 . . . . 71.439999999999998 109.304 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 1.059 ' HB1' HD11 ' A' ' 94' ' ' ILE . . . -77.89 61.54 2.53 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.571 1.17 . . . . 73.430000000000007 109.264 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 1.045 ' CD2' HG22 ' A' ' 56' ' ' THR . 16.7 mt -29.35 125.65 0.12 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 71.209999999999994 109.27 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 91' ' ' MET . . . . . 0.476 ' HE2' HG21 ' A' ' 51' ' ' VAL . 47.2 mmm -52.09 -20.11 2.3 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 71.209999999999994 110.967 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 25.1 t -73.29 -35.13 66.08 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.576 1.172 . . . . 61.219999999999999 109.905 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -89.12 -9.32 51.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 70.439999999999998 109.289 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 1.059 HD11 ' HB1' ' A' ' 89' ' ' ALA . 27.3 mm -87.65 -47.45 15.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.553 1.158 . . . . 61.530000000000001 109.248 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 95' ' ' TYR . . . . . 0.841 ' CD2' HD23 ' A' ' 105' ' ' LEU . 6.1 t80 -69.03 -6.45 28.06 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.6 1.187 . . . . 52.140000000000001 111.085 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -99.03 -13.35 19.91 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.523 1.139 . . . . 73.329999999999998 110.357 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -113.76 -11.42 12.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 70.129999999999995 110.373 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 98' ' ' HIS . . . . . 0.487 ' CD2' ' OD1' ' A' ' 81' ' ' ASN . 33.1 m170 -124.82 16.48 8.66 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.589 1.181 . . . . 62.030000000000001 109.621 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.474 ' HB3' ' O ' ' A' ' 95' ' ' TYR . 0.1 OUTLIER -55.21 154.07 6.22 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.567 1.167 . . . . 60.420000000000002 109.374 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 100' ' ' ASP . . . . . 0.441 ' OD1' ' CE2' ' A' ' 106' ' ' TYR . 0.7 OUTLIER -121.81 177.16 5.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 64.510000000000005 109.252 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 17.4 mtpt -55.89 -51.42 67.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.563 1.164 . . . . 74.239999999999995 109.335 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 102' ' ' ASP . . . . . 0.547 ' HB3' ' CE1' ' A' ' 11' ' ' PHE . 8.7 p-10 -67.97 -15.38 63.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 52.350000000000001 109.327 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 103' ' ' GLY . . . . . 0.515 ' O ' ' CZ ' ' A' ' 95' ' ' TYR . . . 95.78 -39.34 2.86 Favored Glycine 0 CA--C 1.531 1.09 0 O-C-N 124.517 1.135 . . . . 42.140000000000001 110.995 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 104' ' ' PHE . . . . . 0.706 ' CD2' ' CD ' ' A' ' 14' ' ' ARG . 9.6 m-85 -51.14 155.85 1.22 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.522 0.777 . . . . 73.230000000000004 110.974 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.841 HD23 ' CD2' ' A' ' 95' ' ' TYR . 0.2 OUTLIER -99.83 139.91 34.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 74.420000000000002 109.335 179.938 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 106' ' ' TYR . . . . . 0.606 ' CZ ' ' NH2' ' A' ' 14' ' ' ARG . 60.7 m-85 -114.54 90.01 3.24 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.448 1.092 . . . . 64.400000000000006 110.987 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 107' ' ' VAL . . . . . 0.624 HG13 ' HA ' ' A' ' 33' ' ' CYS . 9.9 p -101.13 165.61 2.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 71.319999999999993 109.214 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 108' ' ' THR . . . . . 0.488 ' CG2' ' O ' ' A' ' 34' ' ' GLU . 0.3 OUTLIER -153.36 128.97 10.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.139 . . . . 74.209999999999994 110.316 -179.981 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 109' ' ' TYR . . . . . 0.671 ' CD2' HD11 ' A' ' 76' ' ' ILE . 37.6 p90 -108.54 132.92 53.36 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.51 1.131 . . . . 63.539999999999999 110.968 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 1.4 t -130.05 164.16 24.95 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.519 1.137 . . . . 73.5 110.056 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 111' ' ' GLY . . . . . 0.461 ' HA3' ' CG2' ' A' ' 41' ' ' ILE . . . -85.03 3.31 87.45 Favored Glycine 0 CA--C 1.531 1.069 0 O-C-N 124.451 1.094 . . . . 54.340000000000003 111.008 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -122.89 152.84 40.39 Favored 'General case' 0 C--N 1.327 -0.403 0 O-C-N 124.492 0.76 . . . . 65.25 110.263 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 113' ' ' ASN . . . . . 0.505 ' ND2' HD13 ' A' ' 84' ' ' LEU . 9.4 t-20 . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.441 1.088 . . . . 71.129999999999995 109.29 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 629' ' ' ILE . . . . . 0.716 ' C ' HG11 ' A' ' 63' ' ' VAL . 0.8 OUTLIER . . . . . 0 N--CA 1.452 -0.34 0 N-CA-C 109.301 -0.629 . . . . 61.409999999999997 109.301 . . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 630' ' ' ALA . . . . . 0.726 ' HA ' HG21 ' A' ' 63' ' ' VAL . . . . . . . . 0 C--N 1.323 -0.576 0 O-C-N 124.569 1.168 . . . . 73.25 109.348 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.474 ' OG1' ' N ' ' A' ' 5' ' ' PHE . 4.6 p . . . . . 0 N--CA 1.454 -0.23 0 N-CA-C 110.372 -0.233 . . . . 74.439999999999998 110.372 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' PHE . . . . . 0.601 ' CZ ' ' OH ' ' A' ' 9' ' ' TYR . 40.1 t80 -56.23 -24.89 45.13 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.525 1.141 . . . . 75.109999999999999 111.016 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.551 ' CG ' ' NH2' ' A' ' 14' ' ' ARG . 0.2 OUTLIER -100.63 -24.42 14.44 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.472 1.108 . . . . 72.109999999999999 109.258 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 22.7 t -73.05 -3.23 24.97 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.525 1.141 . . . . 63.350000000000001 109.983 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' GLU . . . . . 0.516 ' HB3' ' CD2' ' A' ' 9' ' ' TYR . 1.3 tp10 -86.49 -52.06 5.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 75.049999999999997 110.304 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' TYR . . . . . 0.601 ' OH ' ' CZ ' ' A' ' 5' ' ' PHE . 2.8 p90 -124.88 166.68 18.93 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.546 1.154 . . . . 62.130000000000003 110.96 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -177.11 3.24 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.488 1.783 . . . . 44.439999999999998 110.983 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.528 ' CE2' ' HB3' ' A' ' 102' ' ' ASP . 20.2 t80 -62.42 -60.91 2.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 73.120000000000005 110.991 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -38.84 -31.4 0.06 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.565 1.166 . . . . 72.25 110.254 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.503 ' O ' ' HB3' ' A' ' 16' ' ' ALA . 15.9 mmtt -70.97 -54.6 10.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 72.310000000000002 109.319 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.577 ' HD2' ' CE1' ' A' ' 104' ' ' PHE . 4.0 tpp85 -55.42 -60.19 3.75 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.478 1.111 . . . . 72.400000000000006 110.247 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.41 ' CG ' ' N ' ' A' ' 16' ' ' ALA . 27.0 pttt -42.13 -46.52 4.36 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.431 1.082 . . . . 63.020000000000003 109.388 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.503 ' HB3' ' O ' ' A' ' 13' ' ' LYS . . . -50.94 -45.89 60.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.613 1.196 . . . . 52.130000000000003 109.343 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.589 ' HG2' HD12 ' A' ' 21' ' ' ILE . 62.9 tt0 -50.18 -33.74 20.25 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.47 1.106 . . . . 64.25 110.273 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -80.12 -23.93 40.86 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.507 1.129 . . . . 73.400000000000006 109.938 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.425 ' N ' ' O ' ' A' ' 16' ' ' ALA . 71.3 mt-10 -68.96 -28.28 66.49 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.522 1.139 . . . . 72.310000000000002 110.357 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.402 ' HG3' ' N ' ' A' ' 21' ' ' ILE . 5.2 ptp180 -100.73 -34.27 9.92 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.441 1.088 . . . . 74.030000000000001 110.249 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.589 HD12 ' HG2' ' A' ' 17' ' ' GLU . 8.1 mt -65.55 -20.88 28.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.487 1.117 . . . . 70.129999999999995 109.247 -179.921 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -83.12 -15.11 52.05 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.494 1.121 . . . . 53.32 109.273 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -105.87 -23.45 12.68 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.518 1.136 . . . . 74.040000000000006 109.29 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 11.2 mtm180 -91.85 -54.38 3.88 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.531 1.144 . . . . 72.200000000000003 110.273 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.427 ' HB3' ' CG ' ' A' ' 28' ' ' ARG . 3.1 m-85 -131.62 84.94 53.68 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 64.319999999999993 111.031 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.95 -27.8 9.81 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.496 1.788 . . . . 74.200000000000003 110.962 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 77.2 m-20 -92.06 37.42 0.98 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.451 1.094 . . . . 72.439999999999998 109.296 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.427 ' CG ' ' HB3' ' A' ' 25' ' ' PHE . 10.1 mmt-85 -119.14 174.09 6.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.107 . . . . 75.129999999999995 110.227 -179.894 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.713 HG23 ' CB ' ' A' ' 95' ' ' TYR . 13.0 mm -137.27 91.51 14.43 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.122 . . . . 73.209999999999994 109.252 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.708 ' HA ' HD22 ' A' ' 50' ' ' LEU . 18.1 Cg_endo -75.01 103.85 1.8 Allowed 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.556 1.819 . . . . 64.019999999999996 111.003 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.503 ' HA ' ' CB ' ' A' ' 105' ' ' LEU . 2.4 p -119.58 165.36 15.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.587 1.179 . . . . 75.340000000000003 109.265 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.56 ' CD1' ' NH2' ' A' ' 14' ' ' ARG . 5.8 mm -127.65 106.21 14.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.45 1.094 . . . . 65.239999999999995 109.389 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.573 ' HB3' ' CE1' ' A' ' 49' ' ' TYR . 1.4 t -81.52 124.98 29.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.103 . . . . 43.200000000000003 108.25 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.894 ' HB3' HG23 ' A' ' 108' ' ' THR . 73.3 tt0 -122.26 160.69 24.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.578 1.173 . . . . 74.129999999999995 110.242 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.566 ' HG2' ' CE2' ' A' ' 109' ' ' TYR . 0.3 OUTLIER -109.17 120.08 41.46 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.459 1.099 . . . . 74.109999999999999 109.331 -179.974 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.505 ' HB3' ' HB2' ' A' ' 39' ' ' SER . . . -49.87 169.07 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 61.539999999999999 109.268 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.438 ' CG ' ' N ' ' A' ' 38' ' ' LYS . 17.7 pt-20 -94.47 -49.78 5.52 Favored 'General case' 0 C--N 1.326 -0.413 0 O-C-N 124.481 1.113 . . . . 72.099999999999994 110.244 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.438 ' N ' ' CG ' ' A' ' 37' ' ' GLU . 48.8 mttm -58.4 -22.39 53.82 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.527 1.142 . . . . 70.129999999999995 109.293 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.505 ' HB2' ' HB3' ' A' ' 36' ' ' ALA . 0.8 OUTLIER -57.21 162.73 2.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 61.219999999999999 110.015 -179.973 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 24.5 m-20 -123.55 1.11 8.88 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.129 . . . . 65.120000000000005 109.217 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.59 HD11 ' CE2' ' A' ' 109' ' ' TYR . 0.1 OUTLIER -74.65 166.41 45.44 Favored Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.407 1.067 . . . . 75.430000000000007 109.282 179.978 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 42' ' ' PRO . . . . . 0.43 ' O ' HG21 ' A' ' 68' ' ' ILE . 18.0 Cg_endo -75.05 123.27 7.74 Favored 'Trans proline' 0 C--N 1.362 1.238 0 O-C-N 124.502 1.79 . . . . 64.400000000000006 111.0 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 17.9 tt0 -56.58 161.85 2.52 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.473 1.108 . . . . 74.430000000000007 110.319 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.505 ' CD1' ' OH ' ' A' ' 49' ' ' TYR . 15.4 tt -88.36 169.36 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.485 1.116 . . . . 73.530000000000001 109.256 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -71.42 -48.65 48.35 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.523 1.139 . . . . 74.129999999999995 109.355 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.479 ' CE ' ' HB3' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -150.9 167.76 26.56 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 72.310000000000002 109.285 -179.958 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.533 ' O ' HG23 ' A' ' 32' ' ' ILE . 11.9 mtm180 -108.39 94.63 5.17 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.461 1.101 . . . . 73.310000000000002 110.303 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.575 ' HB2' ' CD2' ' A' ' 5' ' ' PHE . 35.4 tptt -166.9 106.46 0.61 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.13 . . . . 65.409999999999997 109.285 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.688 ' CE2' ' CD1' ' A' ' 64' ' ' ILE . 23.0 m-85 -130.08 103.27 6.65 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.426 1.079 . . . . 72.340000000000003 110.973 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.708 HD22 ' HA ' ' A' ' 30' ' ' PRO . 0.6 OUTLIER -92.29 77.14 5.21 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.561 1.163 . . . . 74.329999999999998 109.279 -179.986 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.682 HG12 ' HB2' ' B' ' 630' ' ' ALA . 28.8 m -83.61 152.28 63.25 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.551 1.157 . . . . 63.399999999999999 109.328 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' PRO . . . . . 0.476 ' HD3' ' CB ' ' B' ' 630' ' ' ALA . 18.2 Cg_endo -74.97 -179.34 4.88 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.553 1.817 . . . . 72.439999999999998 110.984 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -91.46 19.11 6.44 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.522 1.139 . . . . 72.450000000000003 109.251 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -117.54 -38.68 3.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.571 1.169 . . . . 72.409999999999997 109.305 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.587 HD12 ' N ' ' A' ' 56' ' ' THR . 0.0 OUTLIER -56.14 131.93 49.01 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.437 1.085 . . . . 73.349999999999994 109.32 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.587 ' N ' HD12 ' A' ' 55' ' ' LEU . 1.0 OUTLIER -94.11 -174.88 3.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.45 1.094 . . . . 33.539999999999999 110.359 -179.921 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 3.1 t -72.79 -62.8 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 60.439999999999998 109.355 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -55.0 -23.49 31.69 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.413 1.07 . . . . 73.230000000000004 111.041 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' GLN . . . . . 0.503 ' CB ' ' CD1' ' A' ' 55' ' ' LEU . 9.6 mt-30 -89.12 -25.87 21.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 0.771 . . . . 74.530000000000001 110.27 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.595 ' CD1' HG11 ' A' ' 51' ' ' VAL . 40.7 t80 -70.83 -37.47 73.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 73.030000000000001 110.942 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.764 HG13 ' CG2' ' A' ' 76' ' ' ILE . 68.8 t -51.49 -46.01 35.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.124 . . . . 73.010000000000005 109.321 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.6 ' CD1' ' O ' ' A' ' 62' ' ' TYR . 0.1 OUTLIER -46.71 -27.13 1.08 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.134 . . . . 74.540000000000006 111.044 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.851 HG21 ' HA ' ' B' ' 630' ' ' ALA . 60.0 t -78.11 -38.12 23.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 65.319999999999993 109.274 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.688 ' CD1' ' CE2' ' A' ' 49' ' ' TYR . 3.9 mm -69.57 -38.91 77.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.45 1.094 . . . . 74.049999999999997 109.241 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.47 ' CD ' ' HB3' ' A' ' 70' ' ' LEU . 6.2 tpp85 -72.91 -3.47 25.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.567 1.167 . . . . 63.25 110.386 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 2.3 mttm -94.25 -42.16 9.08 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.115 . . . . 71.450000000000003 109.283 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' ARG . . . . . 0.439 ' HA ' ' NE ' ' A' ' 67' ' ' ARG . 4.9 mmp_? -60.94 -38.59 86.38 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.418 1.074 . . . . 74.150000000000006 110.272 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.449 ' O ' ' N ' ' A' ' 70' ' ' LEU . 2.9 pt -104.23 4.06 10.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.387 1.054 . . . . 74.209999999999994 109.314 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 3.8 ptt? 37.32 31.4 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.439 1.087 . . . . 64.340000000000003 110.951 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.479 HD12 ' HA ' ' A' ' 70' ' ' LEU . 5.5 tp -49.27 140.3 12.89 Favored Pre-proline 0 C--N 1.323 -0.544 0 O-C-N 124.53 1.144 . . . . 62.43 109.209 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.431 ' HD3' ' HA ' ' A' ' 70' ' ' LEU . 18.2 Cg_endo -74.99 170.32 20.68 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.42 1.747 . . . . 75.310000000000002 110.952 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 -1.87 11.78 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.519 1.8 . . . . 73.310000000000002 110.968 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -89.27 3.31 52.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.589 1.181 . . . . 75.109999999999999 110.28 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 6.8 mttm -124.36 179.57 4.86 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.432 1.082 . . . . 74.239999999999995 109.306 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -137.9 163.67 30.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 54.009999999999998 109.288 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.787 HD11 ' CD2' ' A' ' 109' ' ' TYR . 2.2 tt -155.63 115.56 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.454 1.096 . . . . 71.129999999999995 109.308 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.553 ' CE1' ' HB2' ' A' ' 113' ' ' ASN . 71.1 m-85 -112.51 134.79 53.85 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.494 1.121 . . . . 70.230000000000004 111.028 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.73 ' O ' HD23 ' A' ' 84' ' ' LEU . 5.1 mm -84.6 129.22 38.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 70.040000000000006 109.288 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 79' ' ' PHE . . . . . 0.433 ' CE1' ' HG ' ' A' ' 84' ' ' LEU . 3.4 m-85 -123.66 119.13 28.94 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.501 1.126 . . . . 63.119999999999997 111.061 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.742 ' O ' HG22 ' A' ' 83' ' ' THR . 1.8 t -115.48 101.78 12.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.49 1.119 . . . . 75.209999999999994 109.306 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 81' ' ' ASN . . . . . 0.492 ' O ' ' CB ' ' A' ' 82' ' ' ASP . 2.3 m120 72.25 23.45 3.29 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.145 . . . . 74.420000000000002 109.299 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 82' ' ' ASP . . . . . 0.492 ' CB ' ' O ' ' A' ' 81' ' ' ASN . 0.3 OUTLIER 82.24 20.37 0.29 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.447 1.092 . . . . 75.129999999999995 109.275 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 83' ' ' THR . . . . . 0.742 HG22 ' O ' ' A' ' 80' ' ' VAL . 1.2 t -120.52 141.39 50.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 74.25 110.466 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.73 HD23 ' O ' ' A' ' 78' ' ' ILE . 3.6 mt -104.63 106.04 52.93 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.573 1.171 . . . . 64.219999999999999 109.314 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 165.94 30.31 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.479 1.779 . . . . 73.140000000000001 110.996 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' PRO . . . . . 0.636 ' HG2' ' HB2' ' A' ' 89' ' ' ALA . 18.1 Cg_endo -75.01 -170.8 0.83 Allowed 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.548 1.815 . . . . 70.439999999999998 110.963 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 4.4 p -93.33 -34.58 13.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.535 1.147 . . . . 62.409999999999997 110.378 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -83.27 6.77 18.51 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 71.439999999999998 109.283 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 1.039 ' HB1' HD11 ' A' ' 94' ' ' ILE . . . -76.33 60.03 1.49 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.465 1.103 . . . . 73.430000000000007 109.29 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.594 ' C ' ' O ' ' A' ' 89' ' ' ALA . 0.4 OUTLIER -23.99 123.12 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.455 1.097 . . . . 71.209999999999994 109.335 179.957 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 91' ' ' MET . . . . . 0.405 ' HG2' ' O ' ' A' ' 55' ' ' LEU . 47.2 mmm -48.57 -21.64 0.61 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.597 1.186 . . . . 71.209999999999994 111.018 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 92' ' ' SER . . . . . 0.481 ' HA ' HD12 ' A' ' 29' ' ' ILE . 43.1 t -68.22 -49.33 61.44 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.39 1.057 . . . . 61.219999999999999 110.019 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -69.13 -22.26 63.97 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.482 1.114 . . . . 70.439999999999998 109.365 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 1.039 HD11 ' HB1' ' A' ' 89' ' ' ALA . 10.8 mm -79.7 -41.12 21.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 O-C-N 124.475 1.109 . . . . 61.530000000000001 109.333 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 95' ' ' TYR . . . . . 0.723 ' CD1' HD23 ' A' ' 105' ' ' LEU . 1.2 t80 -75.72 -4.81 42.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.456 1.098 . . . . 52.140000000000001 111.007 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 96' ' ' GLN . . . . . 0.437 ' O ' ' CG ' ' A' ' 96' ' ' GLN . 0.6 OUTLIER -104.15 -9.84 18.39 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.417 1.073 . . . . 73.329999999999998 110.24 -179.978 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -121.11 -4.77 9.52 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.595 1.184 . . . . 70.129999999999995 110.237 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 98' ' ' HIS . . . . . 0.479 ' ND1' HG11 ' A' ' 80' ' ' VAL . 34.7 m170 -125.53 12.4 8.06 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.577 1.173 . . . . 62.030000000000001 109.667 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.523 ' HA ' HD22 ' A' ' 105' ' ' LEU . 0.0 OUTLIER -65.6 167.28 9.24 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.454 1.096 . . . . 60.420000000000002 109.317 -179.95 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -138.22 177.98 7.47 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 64.510000000000005 109.269 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 101' ' ' LYS . . . . . 0.403 ' C ' ' N ' ' A' ' 103' ' ' GLY . 20.3 mmmt -51.39 -57.67 8.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.626 1.204 . . . . 74.239999999999995 109.312 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 102' ' ' ASP . . . . . 0.528 ' HB3' ' CE2' ' A' ' 11' ' ' PHE . 0.5 OUTLIER -44.77 -27.91 0.57 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 52.350000000000001 109.343 -179.993 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 103' ' ' GLY . . . . . 0.403 ' N ' ' C ' ' A' ' 101' ' ' LYS . . . 94.66 -9.4 71.18 Favored Glycine 0 CA--C 1.531 1.083 0 O-C-N 124.63 1.206 . . . . 42.140000000000001 110.975 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 104' ' ' PHE . . . . . 0.577 ' CE1' ' HD2' ' A' ' 14' ' ' ARG . 1.8 m-85 -90.78 165.66 13.53 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.481 0.753 . . . . 73.230000000000004 111.007 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.723 HD23 ' CD1' ' A' ' 95' ' ' TYR . 0.3 OUTLIER -100.2 160.91 13.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.584 1.178 . . . . 74.420000000000002 109.274 -179.983 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 62.1 m-85 -145.03 93.55 2.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.54 1.15 . . . . 64.400000000000006 110.944 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 107' ' ' VAL . . . . . 0.604 ' CG2' ' CG2' ' A' ' 78' ' ' ILE . 8.5 p -102.71 173.55 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.561 1.163 . . . . 71.319999999999993 109.293 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 108' ' ' THR . . . . . 0.894 HG23 ' HB3' ' A' ' 34' ' ' GLU . 0.2 OUTLIER -147.74 151.17 35.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 74.209999999999994 110.336 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 109' ' ' TYR . . . . . 0.787 ' CD2' HD11 ' A' ' 76' ' ' ILE . 41.1 p90 -136.22 131.79 35.01 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.409 1.068 . . . . 63.539999999999999 110.985 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 41.3 t -132.99 152.44 51.95 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.495 1.122 . . . . 73.5 109.956 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -79.09 4.03 63.64 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.475 1.109 . . . . 54.340000000000003 110.95 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -126.06 124.52 40.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.574 0.808 . . . . 65.25 110.298 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 113' ' ' ASN . . . . . 0.553 ' HB2' ' CE1' ' A' ' 77' ' ' PHE . 60.8 t-20 . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.111 . . . . 71.129999999999995 109.337 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 629' ' ' ILE . . . . . 0.652 ' C ' HG11 ' A' ' 63' ' ' VAL . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.299 -0.63 . . . . 61.409999999999997 109.299 . . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 630' ' ' ALA . . . . . 0.851 ' HA ' HG21 ' A' ' 63' ' ' VAL . . . . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 73.25 109.257 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.436 ' OG1' ' CB ' ' A' ' 46' ' ' LYS . 40.7 p . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 110.408 -0.219 . . . . 74.439999999999998 110.408 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' PHE . . . . . 0.604 ' CZ ' ' OH ' ' A' ' 9' ' ' TYR . 32.1 t80 -57.49 -18.49 19.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.635 1.21 . . . . 75.109999999999999 111.024 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.448 ' HG3' ' CZ ' ' A' ' 14' ' ' ARG . 0.0 OUTLIER -101.11 -50.62 3.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.563 1.164 . . . . 72.109999999999999 109.342 179.923 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 7.0 t -65.09 -10.91 34.28 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.594 1.184 . . . . 63.350000000000001 109.943 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' GLU . . . . . 0.412 ' HB3' ' CD1' ' A' ' 9' ' ' TYR . 3.5 tp10 -64.74 -62.39 1.6 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.644 1.215 . . . . 75.049999999999997 110.227 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' TYR . . . . . 0.604 ' OH ' ' CZ ' ' A' ' 5' ' ' PHE . 1.8 p90 -117.52 167.45 11.02 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.116 . . . . 62.130000000000003 111.121 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' PRO . . . . . 0.407 ' HD2' ' HB2' ' A' ' 9' ' ' TYR . 18.4 Cg_endo -75.0 -176.59 2.96 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.526 1.803 . . . . 44.439999999999998 111.014 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.464 ' O ' ' N ' ' A' ' 14' ' ' ARG . 15.7 t80 -62.76 -58.21 8.25 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.54 1.15 . . . . 73.120000000000005 110.967 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 -40.4 -30.47 0.11 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.476 1.11 . . . . 72.25 110.224 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.51 ' CB ' ' HB2' ' A' ' 9' ' ' TYR . 0.2 OUTLIER -73.04 -50.43 23.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 72.310000000000002 109.348 -179.982 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.65 ' NH2' ' CE1' ' A' ' 106' ' ' TYR . 3.2 mmm180 -56.51 -60.44 3.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.104 . . . . 72.400000000000006 110.277 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 26.7 pttt -42.82 -42.32 3.57 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.523 1.139 . . . . 63.020000000000003 109.276 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.444 ' HB3' ' O ' ' A' ' 13' ' ' LYS . . . -60.59 -46.63 89.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 52.130000000000003 109.259 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.43 ' N ' ' O ' ' A' ' 14' ' ' ARG . 27.7 tp10 -62.05 -37.48 85.13 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.613 1.195 . . . . 64.25 110.275 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.3 p -75.92 -27.95 57.82 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.481 1.113 . . . . 73.400000000000006 109.99 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -60.98 -26.82 67.84 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.44 1.087 . . . . 72.310000000000002 110.249 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.455 ' O ' ' N ' ' A' ' 24' ' ' ARG . 1.1 mtm180 -98.04 -44.42 6.65 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.538 1.149 . . . . 74.030000000000001 110.309 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.433 HD12 ' CZ ' ' A' ' 104' ' ' PHE . 7.3 mt -54.76 -26.7 17.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.519 1.137 . . . . 70.129999999999995 109.319 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -83.6 -23.73 31.79 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.566 1.167 . . . . 53.32 109.348 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -97.23 -6.29 34.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.147 . . . . 74.040000000000006 109.323 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.455 ' N ' ' O ' ' A' ' 20' ' ' ARG . 38.3 mtm180 -107.83 -51.56 2.89 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.598 1.186 . . . . 72.200000000000003 110.271 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.488 ' CD2' HD21 ' A' ' 50' ' ' LEU . 1.1 m-85 -120.71 80.77 32.39 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.552 1.157 . . . . 64.319999999999993 110.989 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 -25.85 11.45 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.508 1.794 . . . . 74.200000000000003 110.945 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 21.9 m-20 -93.23 27.99 2.34 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.536 1.147 . . . . 72.439999999999998 109.366 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.467 ' CG ' ' HB3' ' A' ' 25' ' ' PHE . 1.0 OUTLIER -123.9 -179.97 4.6 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.481 1.113 . . . . 75.129999999999995 110.295 179.97 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.481 HG23 ' CB ' ' A' ' 95' ' ' TYR . 24.8 mm -142.09 99.47 6.02 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.471 1.107 . . . . 73.209999999999994 109.255 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.569 ' HD2' ' CE2' ' A' ' 95' ' ' TYR . 18.3 Cg_endo -74.97 123.91 8.25 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.541 1.811 . . . . 64.019999999999996 111.029 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.52 ' O ' HD13 ' A' ' 32' ' ' ILE . 1.0 OUTLIER -138.85 173.24 12.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.594 1.184 . . . . 75.340000000000003 109.286 179.974 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.729 HG22 ' HB3' ' A' ' 47' ' ' ARG . 4.6 mm -138.46 109.92 5.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.595 1.185 . . . . 65.239999999999995 109.336 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.543 ' HA ' HG13 ' A' ' 107' ' ' VAL . 0.5 OUTLIER -83.7 148.55 27.02 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.139 . . . . 43.200000000000003 108.322 -179.955 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.931 ' HB3' HG23 ' A' ' 108' ' ' THR . 5.1 tm-20 -146.3 171.47 14.93 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.506 1.129 . . . . 74.129999999999995 110.287 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.718 ' HZ2' ' HA ' ' A' ' 43' ' ' GLU . 0.0 OUTLIER -116.75 125.84 52.25 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.52 1.137 . . . . 74.109999999999999 109.39 -179.976 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.538 ' HB3' ' HB2' ' A' ' 110' ' ' SER . . . -57.77 177.77 0.1 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.537 1.148 . . . . 61.539999999999999 109.242 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.445 ' CG ' ' N ' ' A' ' 38' ' ' LYS . 11.6 pt-20 -96.11 -51.23 4.51 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.484 1.115 . . . . 72.099999999999994 110.257 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.445 ' N ' ' CG ' ' A' ' 37' ' ' GLU . 0.3 OUTLIER -54.09 -45.04 71.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.445 1.091 . . . . 70.129999999999995 109.375 179.971 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 3.9 t -41.24 157.05 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 61.219999999999999 109.988 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -117.22 -4.93 11.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.128 . . . . 65.120000000000005 109.304 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.465 ' CG2' ' HA3' ' A' ' 111' ' ' GLY . 0.2 OUTLIER -62.97 163.16 17.48 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.596 1.185 . . . . 75.430000000000007 109.279 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 129.12 12.04 Favored 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.562 1.822 . . . . 64.400000000000006 110.94 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.718 ' HA ' ' HZ2' ' A' ' 35' ' ' LYS . 6.0 tt0 -53.85 163.0 0.79 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.508 1.13 . . . . 74.430000000000007 110.283 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.491 ' CD1' ' OH ' ' A' ' 49' ' ' TYR . 12.3 tt -93.22 167.31 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 73.530000000000001 109.27 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' ASP . . . . . 0.443 ' N ' ' CG1' ' A' ' 44' ' ' ILE . 6.7 p-10 -60.75 -55.82 28.62 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.553 1.158 . . . . 74.129999999999995 109.217 -179.883 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.436 ' CB ' ' OG1' ' A' ' 4' ' ' THR . 0.1 OUTLIER -155.44 179.61 9.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 72.310000000000002 109.275 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.729 ' HB3' HG22 ' A' ' 32' ' ' ILE . 6.2 mtp180 -108.13 94.65 5.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.455 1.097 . . . . 73.310000000000002 110.339 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.897 ' HZ2' ' C ' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -166.11 110.04 0.8 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.563 1.164 . . . . 65.409999999999997 109.261 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.549 ' CE2' ' CD1' ' A' ' 64' ' ' ILE . 27.3 m-85 -140.35 118.24 11.79 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.427 1.079 . . . . 72.340000000000003 111.05 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.488 HD21 ' CD2' ' A' ' 25' ' ' PHE . 1.0 OUTLIER -104.41 77.14 1.36 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.424 1.078 . . . . 74.329999999999998 109.34 179.972 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.546 HG12 ' HA ' ' B' ' 630' ' ' ALA . 27.8 m -77.7 148.76 76.81 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.147 . . . . 63.399999999999999 109.356 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -178.32 4.07 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.397 1.735 . . . . 72.439999999999998 111.06 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -93.36 18.2 10.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 72.450000000000003 109.194 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -118.96 -38.48 3.06 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.567 1.167 . . . . 72.409999999999997 109.302 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 1.002 HD23 ' HB1' ' B' ' 630' ' ' ALA . 0.0 OUTLIER -58.16 131.96 52.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 73.349999999999994 109.338 179.958 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.536 ' N ' HD12 ' A' ' 55' ' ' LEU . 1.2 p -92.95 -170.35 2.41 Favored 'General case' 0 C--N 1.323 -0.576 0 O-C-N 124.545 1.153 . . . . 33.539999999999999 110.45 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 2.7 t -76.84 -62.49 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.134 . . . . 60.439999999999998 109.268 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -57.19 -24.12 49.99 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.471 1.107 . . . . 73.230000000000004 110.925 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' GLN . . . . . 0.533 ' CB ' ' CD1' ' A' ' 55' ' ' LEU . 29.1 mt-30 -83.58 -27.39 29.27 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.546 0.792 . . . . 74.530000000000001 110.266 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.896 ' CE1' HD11 ' A' ' 64' ' ' ILE . 1.4 t80 -69.81 -46.32 65.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.454 1.096 . . . . 73.030000000000001 110.997 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.809 HG13 ' CG2' ' A' ' 76' ' ' ILE . 52.1 t -39.96 -48.41 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.529 1.143 . . . . 73.010000000000005 109.377 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.596 ' C ' ' CD1' ' A' ' 62' ' ' TYR . 0.0 OUTLIER -44.13 -45.41 8.2 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.449 1.093 . . . . 74.540000000000006 110.967 179.948 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.883 HG21 ' C ' ' B' ' 630' ' ' ALA . 86.4 t -63.65 -37.82 80.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.41 1.069 . . . . 65.319999999999993 109.266 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.896 HD11 ' CE1' ' A' ' 60' ' ' PHE . 19.0 mm -70.59 -30.42 42.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 74.049999999999997 109.359 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.446 HH21 ' CG1' ' A' ' 61' ' ' VAL . 4.1 tpp85 -79.33 -3.17 44.92 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 63.25 110.257 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 7.9 mtmt -96.16 -41.73 8.56 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 71.450000000000003 109.313 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -59.61 -39.61 84.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.591 1.182 . . . . 74.150000000000006 110.252 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 2.2 pt -104.81 5.22 10.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 74.209999999999994 109.296 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 2.6 ptt? 37.55 38.36 0.14 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.547 1.154 . . . . 64.340000000000003 110.969 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.481 HD12 ' HA ' ' A' ' 70' ' ' LEU . 6.2 tp -50.63 139.98 19.95 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.472 1.107 . . . . 62.43 109.294 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 70' ' ' LEU . 18.2 Cg_endo -75.02 165.99 30.13 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.548 1.815 . . . . 75.310000000000002 110.922 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 0.78 8.51 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.491 1.785 . . . . 73.310000000000002 110.944 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -98.1 -1.78 41.57 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.581 1.176 . . . . 75.109999999999999 110.264 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -112.23 178.91 4.15 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 74.239999999999995 109.26 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -138.03 152.51 48.92 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.612 1.195 . . . . 54.009999999999998 109.276 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.901 HD11 ' CD1' ' A' ' 109' ' ' TYR . 1.2 tt -145.78 117.18 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.437 1.086 . . . . 71.129999999999995 109.407 179.899 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 80.2 m-85 -114.21 137.68 51.46 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.55 1.156 . . . . 70.230000000000004 111.03 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.591 ' CG2' ' CG2' ' A' ' 107' ' ' VAL . 3.9 mm -85.92 158.19 3.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 O-C-N 124.482 1.113 . . . . 70.040000000000006 109.286 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 79' ' ' PHE . . . . . 0.441 ' CZ ' ' CD1' ' A' ' 84' ' ' LEU . 8.6 m-85 -150.58 133.51 15.99 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.453 1.095 . . . . 63.119999999999997 111.0 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.708 ' O ' HG22 ' A' ' 83' ' ' THR . 2.4 t -136.31 108.64 7.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.459 1.099 . . . . 75.209999999999994 109.298 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 81' ' ' ASN . . . . . 0.443 ' O ' ' CB ' ' A' ' 82' ' ' ASP . 3.7 m120 72.35 22.31 3.52 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.499 1.124 . . . . 74.420000000000002 109.248 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 82' ' ' ASP . . . . . 0.443 ' CB ' ' O ' ' A' ' 81' ' ' ASN . 2.1 m-20 79.05 20.88 0.7 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 75.129999999999995 109.266 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 83' ' ' THR . . . . . 0.708 HG22 ' O ' ' A' ' 80' ' ' VAL . 1.1 t -126.43 142.03 51.68 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.5 1.125 . . . . 74.25 110.447 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.441 ' CD1' ' CZ ' ' A' ' 79' ' ' PHE . 0.2 OUTLIER -98.6 109.64 53.81 Favored Pre-proline 0 C--N 1.324 -0.541 0 O-C-N 124.541 1.151 . . . . 64.219999999999999 109.286 -179.94 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.06 167.04 27.86 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.445 1.761 . . . . 73.140000000000001 110.987 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' PRO . . . . . 0.825 ' HG2' ' HB2' ' A' ' 89' ' ' ALA . 18.6 Cg_endo -74.94 -171.7 1.05 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.481 1.78 . . . . 70.439999999999998 111.039 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 4.2 p -94.27 -35.39 12.46 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.551 1.157 . . . . 62.409999999999997 110.419 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -84.61 8.22 17.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.421 1.076 . . . . 71.439999999999998 109.324 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 1.054 ' HB1' HD11 ' A' ' 94' ' ' ILE . . . -76.13 60.92 1.51 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.545 1.153 . . . . 73.430000000000007 109.329 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.608 ' C ' ' O ' ' A' ' 89' ' ' ALA . 0.4 OUTLIER -23.51 121.79 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.106 . . . . 71.209999999999994 109.228 -179.917 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 91' ' ' MET . . . . . 0.402 ' HG2' ' O ' ' A' ' 55' ' ' LEU . 47.3 mmm -50.81 -20.49 1.3 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.418 1.074 . . . . 71.209999999999994 110.987 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 2.1 t -70.09 -47.17 62.97 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 61.219999999999999 110.008 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -74.88 -13.68 60.58 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 70.439999999999998 109.289 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 1.054 HD11 ' HB1' ' A' ' 89' ' ' ALA . 22.0 mm -82.55 -44.74 19.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.554 1.159 . . . . 61.530000000000001 109.208 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 95' ' ' TYR . . . . . 0.83 ' CD2' HD23 ' A' ' 105' ' ' LEU . 4.5 t80 -72.98 -5.64 40.06 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.457 1.098 . . . . 52.140000000000001 110.931 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 96' ' ' GLN . . . . . 0.438 ' O ' ' CG ' ' A' ' 96' ' ' GLN . 3.0 tp-100 -100.21 -10.37 21.46 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.481 1.113 . . . . 73.329999999999998 110.27 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -118.55 -10.92 9.99 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.454 1.097 . . . . 70.129999999999995 110.331 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 98' ' ' HIS . . . . . 0.571 ' HB2' HD11 ' A' ' 105' ' ' LEU . 32.7 m170 -123.1 16.34 9.94 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.485 1.116 . . . . 62.030000000000001 109.601 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.471 ' HB3' ' O ' ' A' ' 95' ' ' TYR . 0.0 OUTLIER -59.99 157.74 12.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.12 . . . . 60.420000000000002 109.346 179.974 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -128.87 170.88 12.85 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.55 1.156 . . . . 64.510000000000005 109.339 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 101' ' ' LYS . . . . . 0.425 ' HB2' ' CE2' ' A' ' 11' ' ' PHE . 30.0 mtmm -57.31 -29.42 63.91 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.118 . . . . 74.239999999999995 109.311 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -82.71 -20.47 36.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 52.350000000000001 109.242 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 103' ' ' GLY . . . . . 0.404 ' O ' ' CE2' ' A' ' 95' ' ' TYR . . . 91.63 -39.32 3.06 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.568 1.167 . . . . 42.140000000000001 111.023 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 104' ' ' PHE . . . . . 0.601 ' CD1' HD11 ' A' ' 32' ' ' ILE . 10.5 m-85 -61.64 120.14 10.03 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.472 0.748 . . . . 73.230000000000004 110.992 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.83 HD23 ' CD2' ' A' ' 95' ' ' TYR . 0.3 OUTLIER -63.32 159.66 17.56 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.532 1.145 . . . . 74.420000000000002 109.339 -179.963 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 106' ' ' TYR . . . . . 0.65 ' CE1' ' NH2' ' A' ' 14' ' ' ARG . 50.4 m-85 -133.17 101.66 5.28 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.506 1.129 . . . . 64.400000000000006 111.049 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 107' ' ' VAL . . . . . 0.591 ' CG2' ' CG2' ' A' ' 78' ' ' ILE . 14.7 p -115.07 168.53 6.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.461 1.1 . . . . 71.319999999999993 109.364 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 108' ' ' THR . . . . . 0.931 HG23 ' HB3' ' A' ' 34' ' ' GLU . 0.7 OUTLIER -149.8 145.79 26.8 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.511 1.132 . . . . 74.209999999999994 110.409 179.922 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 109' ' ' TYR . . . . . 0.901 ' CD1' HD11 ' A' ' 76' ' ' ILE . 30.2 p90 -129.3 126.05 38.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.567 1.167 . . . . 63.539999999999999 111.006 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 110' ' ' SER . . . . . 0.538 ' HB2' ' HB3' ' A' ' 36' ' ' ALA . 1.4 t -119.33 158.83 25.32 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.484 1.115 . . . . 73.5 109.989 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 111' ' ' GLY . . . . . 0.465 ' HA3' ' CG2' ' A' ' 41' ' ' ILE . . . -68.1 -24.19 74.61 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.515 1.134 . . . . 54.340000000000003 110.94 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -115.07 178.8 4.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 0.783 . . . . 65.25 110.275 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 49.0 t-20 . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.103 . . . . 71.129999999999995 109.297 179.995 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 629' ' ' ILE . . . . . 0.477 HD13 ' H ' ' A' ' 50' ' ' LEU . 1.2 pp . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.269 -0.641 . . . . 61.409999999999997 109.269 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 630' ' ' ALA . . . . . 1.002 ' HB1' HD23 ' A' ' 55' ' ' LEU . . . . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 73.25 109.294 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.5 ' OG1' ' N ' ' A' ' 5' ' ' PHE . 31.4 p . . . . . 0 N--CA 1.454 -0.26 0 N-CA-C 110.384 -0.228 . . . . 74.439999999999998 110.384 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' PHE . . . . . 0.654 ' CE2' ' CB ' ' A' ' 48' ' ' LYS . 12.4 m-85 -50.94 -45.81 60.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 75.109999999999999 111.034 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.417 ' HB2' ' NE ' ' A' ' 47' ' ' ARG . 8.6 tttt -69.17 -31.57 70.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.109 . . . . 72.109999999999999 109.248 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 40.4 t -81.82 -4.96 57.73 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.534 1.146 . . . . 63.350000000000001 110.031 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -86.9 -52.59 5.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 75.049999999999997 110.329 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' TYR . . . . . 0.485 ' HB2' ' CB ' ' A' ' 13' ' ' LYS . 4.5 p90 -126.2 165.12 29.57 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 62.130000000000003 111.015 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 -176.92 3.12 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.531 1.806 . . . . 44.439999999999998 111.027 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.54 ' CE1' ' HB3' ' A' ' 102' ' ' ASP . 35.9 t80 -63.76 -57.17 10.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.409 1.068 . . . . 73.120000000000005 111.051 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 17.0 mt-10 -42.51 -28.13 0.2 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.534 1.146 . . . . 72.25 110.297 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.485 ' CB ' ' HB2' ' A' ' 9' ' ' TYR . 8.9 mmtt -73.2 -49.09 29.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.616 1.197 . . . . 72.310000000000002 109.244 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.566 ' HG3' ' CD2' ' A' ' 104' ' ' PHE . 16.7 tpp180 -57.11 -42.19 80.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.437 1.085 . . . . 72.400000000000006 110.345 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.409 ' HG2' ' N ' ' A' ' 16' ' ' ALA . 0.1 OUTLIER -71.33 -43.47 66.94 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 63.020000000000003 109.32 179.971 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.409 ' N ' ' HG2' ' A' ' 15' ' ' LYS . . . -60.41 -31.78 70.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 52.130000000000003 109.327 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.48 ' HG3' HD12 ' A' ' 21' ' ' ILE . 18.0 tp10 -70.41 -44.3 68.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.431 1.082 . . . . 64.25 110.327 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.443 ' HB3' ' CD2' ' A' ' 104' ' ' PHE . 89.5 p -70.47 -19.5 62.94 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 73.400000000000006 110.094 179.91 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -66.3 -23.41 66.37 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.56 1.163 . . . . 72.310000000000002 110.312 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 28.8 mtm180 -101.76 -39.11 7.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.588 1.18 . . . . 74.030000000000001 110.267 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.48 HD12 ' HG3' ' A' ' 17' ' ' GLU . 7.2 mt -60.25 -20.56 20.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.64 1.213 . . . . 70.129999999999995 109.341 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -80.47 -21.65 41.84 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 53.32 109.284 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -103.49 -12.9 16.84 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 74.040000000000006 109.372 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 27.5 mmm-85 -97.08 -48.96 5.18 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.104 . . . . 72.200000000000003 110.268 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.471 ' HB3' ' CG ' ' A' ' 28' ' ' ARG . 1.3 m-85 -132.84 89.5 34.62 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.429 1.081 . . . . 64.319999999999993 110.951 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.98 -34.21 4.02 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.488 1.783 . . . . 74.200000000000003 111.009 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 12.2 p30 -90.9 40.2 1.01 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.469 1.106 . . . . 72.439999999999998 109.305 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.595 ' HB3' HD11 ' A' ' 50' ' ' LEU . 1.6 mmt-85 -126.14 171.37 10.92 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.464 1.103 . . . . 75.129999999999995 110.271 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.486 ' CD1' ' HA ' ' A' ' 92' ' ' SER . 17.4 mm -135.99 98.03 11.99 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 73.209999999999994 109.285 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.998 ' HA ' HD22 ' A' ' 50' ' ' LEU . 18.2 Cg_endo -75.0 117.21 4.83 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.488 1.783 . . . . 64.019999999999996 110.986 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.785 HG22 ' O ' ' A' ' 49' ' ' TYR . 5.7 m -135.61 156.54 38.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 75.340000000000003 109.296 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.732 HG23 ' O ' ' A' ' 47' ' ' ARG . 18.4 mm -124.73 104.91 14.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.558 1.161 . . . . 65.239999999999995 109.292 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.519 ' HB3' ' CE1' ' A' ' 49' ' ' TYR . 2.1 t -84.82 144.32 28.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.419 1.074 . . . . 43.200000000000003 108.311 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.515 ' O ' HG22 ' A' ' 108' ' ' THR . 32.2 tt0 -148.6 156.75 42.83 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.452 1.095 . . . . 74.129999999999995 110.342 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.503 ' HG2' ' CE2' ' A' ' 109' ' ' TYR . 0.0 OUTLIER -92.66 127.39 38.14 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.456 1.098 . . . . 74.109999999999999 109.331 -179.978 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -59.06 177.99 0.14 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.115 . . . . 61.539999999999999 109.343 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.443 ' CG ' ' N ' ' A' ' 38' ' ' LYS . 12.1 pt-20 -96.5 -50.8 4.59 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.486 1.116 . . . . 72.099999999999994 110.348 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.443 ' N ' ' CG ' ' A' ' 37' ' ' GLU . 30.8 mttm -55.05 -43.88 74.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.576 1.172 . . . . 70.129999999999995 109.371 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.4 t -39.84 158.0 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.457 1.098 . . . . 61.219999999999999 110.025 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -114.76 -1.48 13.23 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.462 1.102 . . . . 65.120000000000005 109.366 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.599 HD11 ' CE2' ' A' ' 109' ' ' TYR . 0.1 OUTLIER -74.55 165.71 51.34 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.408 1.067 . . . . 75.430000000000007 109.288 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.1 130.25 13.0 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.424 1.75 . . . . 64.400000000000006 110.985 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.404 ' HG2' ' N ' ' A' ' 44' ' ' ILE . 5.5 tt0 -67.73 144.35 55.47 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.554 1.159 . . . . 74.430000000000007 110.29 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.513 ' CD1' ' OH ' ' A' ' 49' ' ' TYR . 13.9 tt -65.82 171.55 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.492 1.12 . . . . 73.530000000000001 109.22 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' ASP . . . . . 0.477 ' O ' HG21 ' A' ' 4' ' ' THR . 3.6 t0 -75.67 -40.15 56.42 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.464 1.102 . . . . 74.129999999999995 109.326 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.575 ' HB2' ' CD2' ' A' ' 5' ' ' PHE . 0.0 OUTLIER -153.75 160.75 42.39 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 72.310000000000002 109.259 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.732 ' O ' HG23 ' A' ' 32' ' ' ILE . 0.8 OUTLIER -101.14 96.96 7.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 73.310000000000002 110.334 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.654 ' CB ' ' CE2' ' A' ' 5' ' ' PHE . 3.8 tptt -165.39 127.34 2.05 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.548 1.155 . . . . 65.409999999999997 109.309 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.785 ' O ' HG22 ' A' ' 31' ' ' VAL . 31.2 m-85 -155.99 105.8 2.38 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.517 1.135 . . . . 72.340000000000003 110.966 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.998 HD22 ' HA ' ' A' ' 30' ' ' PRO . 0.4 OUTLIER -94.58 77.05 3.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 74.329999999999998 109.333 179.958 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.749 HG11 ' CD1' ' A' ' 60' ' ' PHE . 9.9 m -75.97 147.04 80.02 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.506 1.128 . . . . 63.399999999999999 109.301 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.94 -177.07 3.2 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.49 1.784 . . . . 72.439999999999998 111.012 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -92.64 18.39 8.79 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.546 1.154 . . . . 72.450000000000003 109.291 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -120.77 -39.11 2.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.41 1.069 . . . . 72.409999999999997 109.339 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.872 HD23 ' HB1' ' B' ' 630' ' ' ALA . 0.0 OUTLIER -58.67 131.68 51.58 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.453 1.096 . . . . 73.349999999999994 109.393 179.959 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.532 ' N ' HD12 ' A' ' 55' ' ' LEU . 0.1 OUTLIER -96.05 -168.69 1.79 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.525 1.141 . . . . 33.539999999999999 110.456 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 3.1 t -77.76 -62.39 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.492 1.12 . . . . 60.439999999999998 109.294 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -53.81 -18.87 9.01 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.468 1.105 . . . . 73.230000000000004 110.953 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' GLN . . . . . 0.55 ' HB2' ' CD1' ' A' ' 55' ' ' LEU . 68.1 mt-30 -95.6 -27.24 15.43 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.511 0.771 . . . . 74.530000000000001 110.351 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.749 ' CD1' HG11 ' A' ' 51' ' ' VAL . 70.2 t80 -69.64 -36.56 76.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 73.030000000000001 111.031 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.771 HG13 ' CG2' ' A' ' 76' ' ' ILE . 59.1 t -54.09 -47.48 66.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.55 1.156 . . . . 73.010000000000005 109.31 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.557 ' CD1' ' O ' ' A' ' 62' ' ' TYR . 0.1 OUTLIER -43.22 -28.99 0.35 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.62 1.2 . . . . 74.540000000000006 110.974 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.926 HG21 ' C ' ' B' ' 630' ' ' ALA . 79.1 t -80.71 -44.61 21.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.431 1.082 . . . . 65.319999999999993 109.238 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.693 ' CD1' ' CE2' ' A' ' 49' ' ' TYR . 9.3 mm -62.0 -30.88 49.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 74.049999999999997 109.294 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 6.7 tpp85 -82.43 -6.09 59.07 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.395 1.059 . . . . 63.25 110.345 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 8.2 mtmt -86.53 -44.65 11.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.143 . . . . 71.450000000000003 109.302 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' ARG . . . . . 0.505 ' HG3' HD11 ' A' ' 44' ' ' ILE . 4.4 mmp_? -57.68 -64.66 0.82 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.103 . . . . 74.150000000000006 110.3 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.616 HD11 HD12 ' A' ' 76' ' ' ILE . 5.9 pt -72.75 -5.56 6.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.538 1.149 . . . . 74.209999999999994 109.345 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' MET . . . . . 0.501 ' CG ' ' O ' ' A' ' 68' ' ' ILE . 3.8 ptp 42.59 44.34 3.59 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.126 . . . . 64.340000000000003 111.04 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.492 HD22 HD12 ' A' ' 68' ' ' ILE . 5.1 tp -65.79 140.57 97.35 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.492 1.12 . . . . 62.43 109.252 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 171.55 18.1 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.425 1.75 . . . . 75.310000000000002 110.979 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_endo -74.9 -1.49 11.27 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.555 1.818 . . . . 73.310000000000002 111.064 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -86.81 1.95 50.59 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.143 . . . . 75.109999999999999 110.335 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 20.5 mttp -125.51 -179.23 4.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 74.239999999999995 109.311 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -139.61 151.21 45.82 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.516 1.135 . . . . 54.009999999999998 109.308 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.771 ' CG2' HG13 ' A' ' 61' ' ' VAL . 2.1 tt -141.28 119.93 10.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 71.129999999999995 109.25 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.629 ' HB3' HD11 ' A' ' 84' ' ' LEU . 80.9 m-85 -115.62 135.22 54.28 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 70.230000000000004 111.004 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.552 ' CG2' ' CG2' ' A' ' 107' ' ' VAL . 3.0 mm -84.5 137.46 20.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.472 1.108 . . . . 70.040000000000006 109.324 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -128.43 121.28 28.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 63.119999999999997 110.964 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.575 ' O ' HG22 ' A' ' 83' ' ' THR . 2.8 t -122.86 109.24 23.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.582 1.176 . . . . 75.209999999999994 109.302 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 81' ' ' ASN . . . . . 0.503 ' O ' ' CB ' ' A' ' 82' ' ' ASP . 2.4 m120 71.31 19.82 5.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 74.420000000000002 109.226 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 82' ' ' ASP . . . . . 0.503 ' CB ' ' O ' ' A' ' 81' ' ' ASN . 0.9 OUTLIER 81.93 24.53 0.22 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 75.129999999999995 109.248 179.979 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 83' ' ' THR . . . . . 0.575 HG22 ' O ' ' A' ' 80' ' ' VAL . 0.7 OUTLIER -133.43 135.36 44.54 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.472 1.108 . . . . 74.25 110.393 -179.97 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.629 HD11 ' HB3' ' A' ' 77' ' ' PHE . 0.2 OUTLIER -91.62 112.27 53.54 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.135 . . . . 64.219999999999999 109.257 179.963 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.09 167.13 27.64 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.45 1.763 . . . . 73.140000000000001 110.93 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' PRO . . . . . 0.834 ' HG2' ' HB2' ' A' ' 89' ' ' ALA . 18.7 Cg_endo -74.84 -168.54 0.52 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.406 1.74 . . . . 70.439999999999998 111.085 179.895 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 3.7 p -97.02 -35.19 10.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.451 1.094 . . . . 62.409999999999997 110.447 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -85.11 8.71 17.09 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.549 1.156 . . . . 71.439999999999998 109.281 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 1.066 ' HB1' HD11 ' A' ' 94' ' ' ILE . . . -76.84 61.23 1.87 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.408 1.068 . . . . 73.430000000000007 109.272 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.591 ' C ' ' O ' ' A' ' 89' ' ' ALA . 0.3 OUTLIER -24.66 122.41 0.05 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 71.209999999999994 109.331 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 91' ' ' MET . . . . . 0.437 ' CG ' ' O ' ' A' ' 55' ' ' LEU . 44.3 mmm -52.93 -19.32 2.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.441 1.088 . . . . 71.209999999999994 110.968 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 92' ' ' SER . . . . . 0.486 ' HA ' ' CD1' ' A' ' 29' ' ' ILE . 10.8 t -69.73 -46.69 65.36 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.483 1.115 . . . . 61.219999999999999 110.024 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -73.25 -31.9 64.39 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.554 1.159 . . . . 70.439999999999998 109.267 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 1.066 HD11 ' HB1' ' A' ' 89' ' ' ALA . 16.6 mm -61.81 -45.32 98.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 61.530000000000001 109.38 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 95' ' ' TYR . . . . . 0.632 ' O ' ' CD1' ' A' ' 95' ' ' TYR . 10.5 t80 -69.19 -6.15 27.11 Favored 'General case' 0 C--N 1.326 -0.413 0 O-C-N 124.429 1.08 . . . . 52.140000000000001 110.99 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 96' ' ' GLN . . . . . 0.466 ' O ' ' CG ' ' A' ' 96' ' ' GLN . 2.7 tp-100 -102.56 -8.97 20.57 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.13 . . . . 73.329999999999998 110.272 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -119.42 -7.82 10.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 70.129999999999995 110.285 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 33.4 m170 -133.04 17.99 4.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 62.030000000000001 109.607 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.484 ' HB3' ' O ' ' A' ' 95' ' ' TYR . 0.0 OUTLIER -51.12 171.87 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.453 1.095 . . . . 60.420000000000002 109.249 -179.973 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -134.73 166.32 23.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.564 1.165 . . . . 64.510000000000005 109.385 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 28.2 mtmt -59.23 -45.6 90.71 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.463 1.102 . . . . 74.239999999999995 109.294 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 102' ' ' ASP . . . . . 0.54 ' HB3' ' CE1' ' A' ' 11' ' ' PHE . 0.5 OUTLIER -72.24 -6.57 43.87 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 52.350000000000001 109.293 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 88.02 -39.58 3.11 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.529 1.143 . . . . 42.140000000000001 110.984 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 104' ' ' PHE . . . . . 0.566 ' CD2' ' HG3' ' A' ' 14' ' ' ARG . 3.7 m-85 -62.76 134.44 56.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.44 0.73 . . . . 73.230000000000004 111.023 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.511 HD13 ' CD2' ' A' ' 95' ' ' TYR . 2.7 tp -79.69 165.4 22.88 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.446 1.091 . . . . 74.420000000000002 109.281 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 88.4 m-85 -142.19 91.88 2.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 64.400000000000006 111.05 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 107' ' ' VAL . . . . . 0.552 ' CG2' ' CG2' ' A' ' 78' ' ' ILE . 1.4 p -102.43 164.73 3.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.64 1.212 . . . . 71.319999999999993 109.164 -179.907 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 108' ' ' THR . . . . . 0.515 HG22 ' O ' ' A' ' 34' ' ' GLU . 0.2 OUTLIER -144.53 160.48 41.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.446 1.091 . . . . 74.209999999999994 110.359 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 109' ' ' TYR . . . . . 0.743 ' CD2' HD11 ' A' ' 76' ' ' ILE . 41.5 p90 -138.85 135.98 35.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.54 1.15 . . . . 63.539999999999999 111.041 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 52.7 p -127.46 160.29 31.92 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.468 1.105 . . . . 73.5 110.05 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 111' ' ' GLY . . . . . 0.472 ' HA3' ' CG2' ' A' ' 41' ' ' ILE . . . -80.89 -3.14 90.58 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.463 1.102 . . . . 54.340000000000003 110.998 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 10.9 pm0 -125.95 159.65 32.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 0.77 . . . . 65.25 110.356 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 113' ' ' ASN . . . . . 0.406 ' OD1' HD22 ' A' ' 84' ' ' LEU . 30.5 t30 . . . . . 0 C--N 1.326 -0.438 0 O-C-N 124.56 1.162 . . . . 71.129999999999995 109.271 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 629' ' ' ILE . . . . . . . . . . . . . 1.2 pp . . . . . 0 N--CA 1.453 -0.275 0 N-CA-C 109.317 -0.623 . . . . 61.409999999999997 109.317 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 630' ' ' ALA . . . . . 0.926 ' C ' HG21 ' A' ' 63' ' ' VAL . . . . . . . . 0 C--N 1.324 -0.511 0 O-C-N 124.543 1.152 . . . . 73.25 109.288 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.662 ' CG2' HH21 ' A' ' 47' ' ' ARG . 81.3 p . . . . . 0 N--CA 1.454 -0.255 0 N-CA-C 110.398 -0.223 . . . . 74.439999999999998 110.398 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' PHE . . . . . 0.609 ' CZ ' ' OH ' ' A' ' 9' ' ' TYR . 88.2 t80 -57.99 -30.32 65.96 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.546 1.153 . . . . 75.109999999999999 110.972 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 17.5 ttpp -91.64 -28.16 17.66 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.563 1.164 . . . . 72.109999999999999 109.278 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 19.9 t -80.5 2.97 23.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.613 1.195 . . . . 63.350000000000001 109.956 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' GLU . . . . . 0.509 ' HB3' ' CD1' ' A' ' 9' ' ' TYR . 12.8 tp10 -85.6 -32.88 21.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 75.049999999999997 110.319 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' TYR . . . . . 0.609 ' OH ' ' CZ ' ' A' ' 5' ' ' PHE . 2.0 p90 -148.2 166.37 15.88 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.487 1.117 . . . . 62.130000000000003 111.035 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.9 168.38 24.97 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.502 1.791 . . . . 44.439999999999998 111.042 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.545 ' CE2' ' HB3' ' A' ' 102' ' ' ASP . 1.4 t80 -61.97 -28.81 69.81 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.558 1.161 . . . . 73.120000000000005 110.998 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 13.5 mt-10 -66.96 -8.71 31.7 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.648 1.217 . . . . 72.25 110.283 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.8 tppp? -100.06 -48.73 4.54 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.522 1.138 . . . . 72.310000000000002 109.301 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.8 HH21 ' HB3' ' A' ' 104' ' ' PHE . 4.2 ptm85 -64.52 -42.98 95.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 72.400000000000006 110.278 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.491 ' HD3' ' CE1' ' A' ' 11' ' ' PHE . 2.2 pttt -56.37 -40.03 73.9 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.531 1.145 . . . . 63.020000000000003 109.331 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -77.77 -19.65 54.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 52.130000000000003 109.284 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 13.7 tp10 -74.73 -58.23 3.42 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.114 . . . . 64.25 110.288 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -57.46 -17.11 11.63 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.494 1.121 . . . . 73.400000000000006 109.959 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -68.57 -45.13 72.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 72.310000000000002 110.315 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.425 ' HG3' ' N ' ' A' ' 21' ' ' ILE . 0.5 OUTLIER -75.68 -24.61 56.32 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.526 1.141 . . . . 74.030000000000001 110.272 -179.938 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.425 ' N ' ' HG3' ' A' ' 20' ' ' ARG . 5.9 mt -66.76 -23.08 30.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.546 1.154 . . . . 70.129999999999995 109.288 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -68.51 -17.2 64.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.108 . . . . 53.32 109.287 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -102.15 -41.08 6.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.45 1.094 . . . . 74.040000000000006 109.295 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.598 ' O ' ' CD1' ' A' ' 25' ' ' PHE . 14.1 mmm-85 -66.4 -33.04 74.83 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.531 1.145 . . . . 72.200000000000003 110.309 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.598 ' CD1' ' O ' ' A' ' 24' ' ' ARG . 34.3 m-85 -159.75 86.56 2.06 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.459 1.099 . . . . 64.319999999999993 110.976 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -14.36 21.15 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.483 1.781 . . . . 74.200000000000003 110.933 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 20.6 m-20 -107.76 48.49 0.85 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 72.439999999999998 109.317 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.522 ' O ' HD13 ' A' ' 29' ' ' ILE . 8.5 mmt85 -134.31 -179.66 5.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 75.129999999999995 110.294 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.522 HD13 ' O ' ' A' ' 28' ' ' ARG . 37.3 mm -143.2 97.31 5.7 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.13 . . . . 73.209999999999994 109.368 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.575 ' HD2' ' CE2' ' A' ' 95' ' ' TYR . 18.2 Cg_endo -74.96 123.9 8.25 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.518 1.799 . . . . 64.019999999999996 111.024 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.461 HG13 HG22 ' A' ' 51' ' ' VAL . 0.9 OUTLIER -134.0 173.4 14.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.504 1.128 . . . . 75.340000000000003 109.323 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.448 ' N ' ' O ' ' A' ' 105' ' ' LEU . 7.4 mm -135.04 98.45 2.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.135 . . . . 65.239999999999995 109.29 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.683 ' HA ' HG13 ' A' ' 107' ' ' VAL . 14.3 t -68.22 116.03 8.36 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.552 1.158 . . . . 43.200000000000003 108.291 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.896 ' HB3' HG23 ' A' ' 108' ' ' THR . 16.5 tp10 -114.3 158.09 21.9 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.562 1.164 . . . . 74.129999999999995 110.324 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.569 ' HG2' ' CE2' ' A' ' 109' ' ' TYR . 0.2 OUTLIER -118.69 116.69 27.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 74.109999999999999 109.378 179.941 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -55.88 172.71 0.17 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.528 1.142 . . . . 61.539999999999999 109.282 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.427 ' CG ' ' N ' ' A' ' 38' ' ' LYS . 11.6 pt-20 -96.16 -49.28 5.3 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.477 1.111 . . . . 72.099999999999994 110.328 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.427 ' N ' ' CG ' ' A' ' 37' ' ' GLU . 35.7 mttm -51.26 -31.33 20.61 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.465 1.103 . . . . 70.129999999999995 109.309 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -56.58 153.13 10.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 61.219999999999999 109.989 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 9.3 t0 -115.77 13.95 16.24 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.456 1.097 . . . . 65.120000000000005 109.256 -179.876 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.613 HD11 ' CE2' ' A' ' 109' ' ' TYR . 0.1 OUTLIER -85.45 165.78 33.98 Favored Pre-proline 0 C--N 1.326 -0.434 0 O-C-N 124.547 1.155 . . . . 75.430000000000007 109.281 -179.95 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 42' ' ' PRO . . . . . 0.523 ' O ' HG21 ' A' ' 68' ' ' ILE . 18.4 Cg_endo -75.12 122.48 7.18 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.472 1.775 . . . . 64.400000000000006 110.985 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -62.55 142.75 57.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.44 1.087 . . . . 74.430000000000007 110.304 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.503 ' CD1' ' OH ' ' A' ' 49' ' ' TYR . 17.8 tt -68.67 170.16 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 73.530000000000001 109.289 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -70.85 -46.24 63.04 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.535 1.147 . . . . 74.129999999999995 109.404 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -151.18 160.02 44.09 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.507 1.129 . . . . 72.310000000000002 109.241 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.662 HH21 ' CG2' ' A' ' 4' ' ' THR . 0.0 OUTLIER -103.7 93.6 5.0 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 73.310000000000002 110.333 179.968 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.595 ' HG2' ' CE2' ' A' ' 5' ' ' PHE . 0.0 OUTLIER -167.03 112.28 0.75 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.554 1.159 . . . . 65.409999999999997 109.215 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.57 ' CD1' ' HB2' ' A' ' 33' ' ' CYS . 27.7 m-85 -136.91 119.66 16.19 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.516 1.135 . . . . 72.340000000000003 110.997 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.474 HD13 ' HA ' ' A' ' 50' ' ' LEU . 0.0 OUTLIER -98.68 76.72 2.22 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.53 1.144 . . . . 74.329999999999998 109.299 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.568 HG11 ' CD1' ' A' ' 60' ' ' PHE . 13.1 m -80.42 147.59 64.39 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.12 . . . . 63.399999999999999 109.239 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 51' ' ' VAL . 18.1 Cg_endo -75.13 -178.56 4.28 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.53 1.805 . . . . 72.439999999999998 110.962 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -93.16 18.42 9.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.115 . . . . 72.450000000000003 109.272 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 32.4 m-20 -119.47 -38.38 3.02 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.451 1.094 . . . . 72.409999999999997 109.291 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.8 HD13 ' HB1' ' B' ' 630' ' ' ALA . 0.5 OUTLIER -56.32 131.19 47.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.106 . . . . 73.349999999999994 109.318 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 56' ' ' THR . . . . . 1.011 HG22 ' CD2' ' A' ' 90' ' ' LEU . 5.6 p -92.37 175.22 6.92 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.486 1.116 . . . . 33.539999999999999 110.45 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.484 ' CG1' ' O ' ' A' ' 86' ' ' PRO . 3.2 t -66.09 -35.75 75.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.55 1.156 . . . . 60.439999999999998 109.357 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -77.74 -6.41 86.98 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.564 1.165 . . . . 73.230000000000004 110.979 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' GLN . . . . . 0.617 ' OE1' HG23 ' A' ' 56' ' ' THR . 53.7 mt-30 -99.63 -22.19 15.53 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.541 0.789 . . . . 74.530000000000001 110.342 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.735 ' CZ ' HD11 ' A' ' 64' ' ' ILE . 40.0 t80 -78.24 -54.39 6.28 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 73.030000000000001 111.044 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.726 HG22 ' CG1' ' A' ' 78' ' ' ILE . 63.9 t -40.25 -34.63 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.508 1.13 . . . . 73.010000000000005 109.277 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.573 ' CD1' ' HD3' ' A' ' 66' ' ' LYS . 0.5 OUTLIER -58.07 -57.29 13.47 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.449 1.093 . . . . 74.540000000000006 111.062 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.926 HG21 ' C ' ' B' ' 630' ' ' ALA . 74.3 t -56.64 -40.86 72.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 65.319999999999993 109.33 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.735 HD11 ' CZ ' ' A' ' 60' ' ' PHE . 29.5 mm -57.93 -50.94 76.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.558 1.162 . . . . 74.049999999999997 109.313 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.468 ' CD ' ' HB3' ' A' ' 70' ' ' LEU . 8.4 tpp85 -59.25 -31.32 68.97 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.491 1.12 . . . . 63.25 110.229 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.573 ' HD3' ' CD1' ' A' ' 62' ' ' TYR . 0.1 OUTLIER -64.5 -53.71 43.75 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.529 1.143 . . . . 71.450000000000003 109.312 -179.962 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 67' ' ' ARG . . . . . 0.412 ' HG3' ' OH ' ' A' ' 49' ' ' TYR . 0.7 OUTLIER -48.26 -66.16 0.45 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.572 1.17 . . . . 74.150000000000006 110.313 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.732 HD11 HD12 ' A' ' 76' ' ' ILE . 5.4 pt -71.23 -5.98 6.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.516 1.135 . . . . 74.209999999999994 109.261 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' MET . . . . . 0.508 ' CG ' ' O ' ' A' ' 68' ' ' ILE . 9.0 ptp 43.21 43.96 4.23 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 64.340000000000003 110.974 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.475 HD12 ' HA ' ' A' ' 70' ' ' LEU . 5.6 tp -66.79 140.75 96.43 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 62.43 109.321 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.422 ' HD3' ' HA ' ' A' ' 70' ' ' LEU . 18.3 Cg_endo -75.13 167.57 26.63 Favored 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.433 1.754 . . . . 75.310000000000002 110.972 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 0.13 9.25 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.612 1.848 . . . . 73.310000000000002 110.997 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -89.23 4.06 49.93 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 75.109999999999999 110.3 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -124.85 -179.39 4.51 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.475 1.11 . . . . 74.239999999999995 109.287 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.408 ' HB1' ' CE1' ' A' ' 77' ' ' PHE . . . -138.27 138.06 38.07 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.125 . . . . 54.009999999999998 109.304 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.732 HD12 HD11 ' A' ' 68' ' ' ILE . 0.9 OUTLIER -131.66 121.44 47.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.56 1.163 . . . . 71.129999999999995 109.254 -180.0 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.478 ' HB3' HD11 ' A' ' 84' ' ' LEU . 70.5 m-85 -120.42 143.08 48.66 Favored 'General case' 0 C--N 1.327 -0.408 0 O-C-N 124.468 1.105 . . . . 70.230000000000004 111.02 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.726 ' CG1' HG22 ' A' ' 61' ' ' VAL . 3.7 mm -84.7 157.84 3.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.448 1.092 . . . . 70.040000000000006 109.33 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 79' ' ' PHE . . . . . 0.484 ' N ' ' O ' ' A' ' 108' ' ' THR . 5.8 m-85 -148.23 129.76 14.92 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 63.119999999999997 111.085 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.593 ' O ' HG22 ' A' ' 83' ' ' THR . 2.0 t -138.2 114.87 11.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.424 1.077 . . . . 75.209999999999994 109.3 -179.899 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 81' ' ' ASN . . . . . 0.481 ' O ' ' CB ' ' A' ' 82' ' ' ASP . 1.4 m120 67.31 20.28 10.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.146 . . . . 74.420000000000002 109.347 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 82' ' ' ASP . . . . . 0.481 ' CB ' ' O ' ' A' ' 81' ' ' ASN . 0.2 OUTLIER 82.42 16.02 0.4 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.47 1.106 . . . . 75.129999999999995 109.259 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 83' ' ' THR . . . . . 0.593 HG22 ' O ' ' A' ' 80' ' ' VAL . 0.7 OUTLIER -121.45 137.59 54.65 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.469 1.106 . . . . 74.25 110.372 -179.936 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.501 ' CD1' ' O ' ' A' ' 78' ' ' ILE . 0.2 OUTLIER -92.87 111.22 50.32 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.574 1.171 . . . . 64.219999999999999 109.284 179.958 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 85' ' ' PRO . . . . . 0.405 ' HD3' ' O ' ' A' ' 83' ' ' THR . 18.3 Cg_endo -75.01 155.33 42.87 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.483 1.78 . . . . 73.140000000000001 110.972 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 86' ' ' PRO . . . . . 0.643 ' HD2' ' HB2' ' A' ' 89' ' ' ALA . 18.5 Cg_endo -75.03 -163.34 0.18 Allowed 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.65 1.869 . . . . 70.439999999999998 111.06 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 7.1 p -97.22 -34.81 10.97 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 62.409999999999997 110.323 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -79.62 2.68 21.54 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.412 1.07 . . . . 71.439999999999998 109.224 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 1.054 ' HB1' HD11 ' A' ' 94' ' ' ILE . . . -76.44 60.28 1.56 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.444 1.09 . . . . 73.430000000000007 109.341 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 1.011 ' CD2' HG22 ' A' ' 56' ' ' THR . 14.6 mt -28.34 118.09 0.11 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 71.209999999999994 109.374 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 91' ' ' MET . . . . . 0.4 ' HE2' HG21 ' A' ' 51' ' ' VAL . 48.2 mmm -40.22 -28.22 0.06 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 71.209999999999994 110.962 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 92' ' ' SER . . . . . 0.419 ' N ' ' O ' ' A' ' 90' ' ' LEU . 1.0 OUTLIER -66.1 -49.66 66.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.595 1.185 . . . . 61.219999999999999 109.97 -179.964 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 93' ' ' ALA . . . . . 0.446 ' N ' ' O ' ' A' ' 90' ' ' LEU . . . -71.96 -8.15 52.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.566 1.166 . . . . 70.439999999999998 109.256 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 1.054 HD11 ' HB1' ' A' ' 89' ' ' ALA . 19.8 mm -90.21 -47.6 14.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.565 1.165 . . . . 61.530000000000001 109.259 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 95' ' ' TYR . . . . . 0.814 ' CD2' HD23 ' A' ' 105' ' ' LEU . 5.1 t80 -70.9 -6.45 38.44 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 52.140000000000001 111.068 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 96' ' ' GLN . . . . . 0.451 ' O ' ' CG ' ' A' ' 96' ' ' GLN . 19.0 tp60 -100.71 -9.7 21.56 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.454 1.096 . . . . 73.329999999999998 110.26 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 97' ' ' GLU . . . . . 0.505 ' HG3' ' CD2' ' A' ' 98' ' ' HIS . 4.6 pt-20 -118.09 -10.59 10.31 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.535 1.147 . . . . 70.129999999999995 110.322 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 98' ' ' HIS . . . . . 0.505 ' CD2' ' HG3' ' A' ' 97' ' ' GLU . 30.4 m170 -125.8 16.78 8.04 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 62.030000000000001 109.625 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.474 ' HB3' ' O ' ' A' ' 95' ' ' TYR . 0.1 OUTLIER -57.05 157.19 6.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.607 1.192 . . . . 60.420000000000002 109.322 -179.953 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -126.72 173.81 9.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.11 . . . . 64.510000000000005 109.29 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 20.9 mmmt -60.45 -31.18 70.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 74.239999999999995 109.338 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 102' ' ' ASP . . . . . 0.545 ' HB3' ' CE2' ' A' ' 11' ' ' PHE . 0.4 OUTLIER -84.11 -15.22 48.09 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.572 1.17 . . . . 52.350000000000001 109.293 179.927 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 103' ' ' GLY . . . . . 0.473 ' O ' ' CE2' ' A' ' 95' ' ' TYR . . . 87.87 -39.31 3.12 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.491 1.119 . . . . 42.140000000000001 110.992 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 104' ' ' PHE . . . . . 0.8 ' HB3' HH21 ' A' ' 14' ' ' ARG . 11.9 m-85 -59.7 121.08 10.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 0.759 . . . . 73.230000000000004 110.996 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.814 HD23 ' CD2' ' A' ' 95' ' ' TYR . 0.3 OUTLIER -66.06 146.33 54.8 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 74.420000000000002 109.335 179.955 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 106' ' ' TYR . . . . . 0.423 ' OH ' ' NE ' ' A' ' 14' ' ' ARG . 73.0 m-85 -122.82 88.8 2.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.144 . . . . 64.400000000000006 110.929 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 107' ' ' VAL . . . . . 0.683 HG13 ' HA ' ' A' ' 33' ' ' CYS . 3.1 p -95.09 168.19 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.506 1.129 . . . . 71.319999999999993 109.28 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 108' ' ' THR . . . . . 0.896 HG23 ' HB3' ' A' ' 34' ' ' GLU . 0.2 OUTLIER -153.02 126.84 8.9 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.468 1.105 . . . . 74.209999999999994 110.388 -179.958 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 109' ' ' TYR . . . . . 0.627 ' CD2' HD11 ' A' ' 76' ' ' ILE . 40.4 p90 -112.34 138.68 48.72 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.381 1.051 . . . . 63.539999999999999 111.047 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -128.71 162.9 26.3 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.507 1.129 . . . . 73.5 109.978 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 111' ' ' GLY . . . . . 0.483 ' HA3' ' CG2' ' A' ' 41' ' ' ILE . . . -74.01 -31.35 59.94 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.462 1.101 . . . . 54.340000000000003 111.01 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 112' ' ' GLU . . . . . 0.427 ' OE1' ' N ' ' A' ' 112' ' ' GLU . 3.6 pm0 -97.29 177.28 5.61 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 0.784 . . . . 65.25 110.318 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 38.8 t30 . . . . . 0 C--N 1.324 -0.527 0 O-C-N 124.553 1.158 . . . . 71.129999999999995 109.314 179.972 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 629' ' ' ILE . . . . . 0.486 ' C ' HD12 ' B' ' 629' ' ' ILE . 0.7 OUTLIER . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 109.284 -0.636 . . . . 61.409999999999997 109.284 . . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 630' ' ' ALA . . . . . 0.926 ' C ' HG21 ' A' ' 63' ' ' VAL . . . . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.548 1.155 . . . . 73.25 109.303 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 2.1 p . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 110.4 -0.222 . . . . 74.439999999999998 110.4 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 5' ' ' PHE . . . . . 0.618 ' CZ ' ' OH ' ' A' ' 9' ' ' TYR . 59.1 t80 -66.56 -23.1 66.16 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.11 . . . . 75.109999999999999 111.031 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.931 ' HD3' HG21 ' A' ' 32' ' ' ILE . 3.8 mtmm -100.86 -24.45 14.36 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.415 1.072 . . . . 72.109999999999999 109.289 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 1.3 t -70.09 -6.53 34.55 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.485 1.116 . . . . 63.350000000000001 110.002 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' GLU . . . . . 0.4 ' HB3' ' CD1' ' A' ' 9' ' ' TYR . 6.9 tp10 -79.77 -50.35 10.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 75.049999999999997 110.379 179.889 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' TYR . . . . . 0.618 ' OH ' ' CZ ' ' A' ' 5' ' ' PHE . 2.3 p90 -123.53 165.17 24.23 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.541 1.15 . . . . 62.130000000000003 110.958 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -177.16 3.27 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.521 1.8 . . . . 44.439999999999998 111.017 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 33.5 t80 -74.52 -33.06 62.69 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.538 1.149 . . . . 73.120000000000005 111.074 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.408 ' HG2' ' NZ ' ' A' ' 15' ' ' LYS . 18.9 mt-10 -69.81 -7.2 37.86 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.471 1.107 . . . . 72.25 110.284 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 6.4 tppt? -100.42 -41.52 6.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.141 . . . . 72.310000000000002 109.309 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.454 ' NE ' ' OH ' ' A' ' 106' ' ' TYR . 3.3 ptm85 -72.64 -39.57 67.07 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.425 1.078 . . . . 72.400000000000006 110.317 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.443 ' N ' ' CG ' ' A' ' 14' ' ' ARG . 47.5 pttt -58.9 -37.22 76.13 Favored 'General case' 0 C--N 1.327 -0.404 0 O-C-N 124.433 1.083 . . . . 63.020000000000003 109.363 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -82.4 -16.07 50.38 Favored 'General case' 0 C--N 1.327 -0.392 0 O-C-N 124.467 1.105 . . . . 52.130000000000003 109.281 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 27.3 tp10 -76.3 -50.85 13.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.558 1.161 . . . . 64.25 110.321 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.481 ' OG ' ' CD2' ' A' ' 104' ' ' PHE . 0.0 OUTLIER -66.38 -10.35 42.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.59 1.181 . . . . 73.400000000000006 110.008 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -72.04 -41.0 67.98 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.138 . . . . 72.310000000000002 110.344 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.409 ' HG3' ' N ' ' A' ' 21' ' ' ILE . 0.7 OUTLIER -81.31 -27.91 34.82 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.502 1.126 . . . . 74.030000000000001 110.282 179.959 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.456 HG12 ' CE2' ' A' ' 25' ' ' PHE . 3.7 mt -69.05 -19.17 23.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.543 1.152 . . . . 70.129999999999995 109.347 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -78.97 -11.96 60.02 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.454 1.097 . . . . 53.32 109.309 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -106.18 -36.63 6.84 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 74.040000000000006 109.295 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.503 ' HB3' ' CE1' ' A' ' 25' ' ' PHE . 5.3 mmm180 -81.26 -39.11 25.79 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.145 . . . . 72.200000000000003 110.233 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.503 ' CE1' ' HB3' ' A' ' 24' ' ' ARG . 1.9 m-85 -130.41 66.86 79.26 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.597 1.185 . . . . 64.319999999999993 111.065 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 -31.91 5.85 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.52 1.8 . . . . 74.200000000000003 111.096 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 51.8 m-20 -87.42 11.73 13.89 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.474 1.109 . . . . 72.439999999999998 109.246 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.503 ' O ' HD13 ' A' ' 29' ' ' ILE . 1.6 mmt-85 -105.77 -175.94 2.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 75.129999999999995 110.324 179.891 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.679 HG23 ' CB ' ' A' ' 95' ' ' TYR . 37.4 mm -145.08 97.34 4.84 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 73.209999999999994 109.207 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.53 ' HA ' ' CD2' ' A' ' 50' ' ' LEU . 18.2 Cg_endo -75.06 139.63 24.36 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.502 1.79 . . . . 64.019999999999996 111.031 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.857 HG23 ' HB3' ' A' ' 105' ' ' LEU . 5.0 p -156.76 147.22 11.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 75.340000000000003 109.272 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.931 HG21 ' HD3' ' A' ' 6' ' ' LYS . 4.4 mm -111.11 105.76 19.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 65.239999999999995 109.295 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.581 ' HB2' ' CD1' ' A' ' 49' ' ' TYR . 0.5 OUTLIER -76.36 146.77 38.53 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 43.200000000000003 108.28 -179.969 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.683 ' HB3' HG23 ' A' ' 108' ' ' THR . 6.3 tt0 -135.42 168.82 18.5 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.572 1.17 . . . . 74.129999999999995 110.296 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.413 ' HD2' ' N ' ' A' ' 36' ' ' ALA . 0.0 OUTLIER -127.19 127.42 44.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 74.109999999999999 109.293 -179.975 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.458 ' HB3' ' HB2' ' A' ' 110' ' ' SER . . . -74.45 134.87 42.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.115 . . . . 61.539999999999999 109.289 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.447 ' CG ' ' N ' ' A' ' 38' ' ' LYS . 11.2 pt-20 -64.72 -52.25 58.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 72.099999999999994 110.312 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.447 ' N ' ' CG ' ' A' ' 37' ' ' GLU . 47.3 mttt -41.83 -36.6 1.07 Allowed 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.395 1.06 . . . . 70.129999999999995 109.294 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -54.62 169.97 0.18 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 61.219999999999999 109.998 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -123.43 13.7 9.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 65.120000000000005 109.337 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.59 HD11 ' CE1' ' A' ' 109' ' ' TYR . 0.1 OUTLIER -89.11 165.6 25.8 Favored Pre-proline 0 C--N 1.327 -0.402 0 O-C-N 124.469 1.105 . . . . 75.430000000000007 109.302 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 42' ' ' PRO . . . . . 0.608 ' O ' HG21 ' A' ' 68' ' ' ILE . 18.2 Cg_endo -74.99 130.03 12.9 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.547 1.814 . . . . 64.400000000000006 110.977 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 22.3 tt0 -61.38 155.44 21.5 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.518 1.136 . . . . 74.430000000000007 110.27 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.643 HD13 ' O ' ' A' ' 46' ' ' LYS . 6.7 tt -80.71 158.46 4.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.542 1.151 . . . . 73.530000000000001 109.26 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' ASP . . . . . 0.436 ' N ' HG12 ' A' ' 44' ' ' ILE . 0.9 OUTLIER -66.29 -46.84 75.6 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.528 1.143 . . . . 74.129999999999995 109.245 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.643 ' O ' HD13 ' A' ' 44' ' ' ILE . 0.0 OUTLIER -149.47 170.45 18.55 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.448 1.092 . . . . 72.310000000000002 109.253 -179.982 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.702 ' HB3' HG22 ' A' ' 32' ' ' ILE . 3.1 mtt180 -114.41 93.72 4.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 73.310000000000002 110.379 179.905 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.558 ' HE2' ' CZ ' ' A' ' 5' ' ' PHE . 0.0 OUTLIER -168.81 118.12 0.7 Allowed 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.499 1.124 . . . . 65.409999999999997 109.273 179.954 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.698 ' CE2' ' CD1' ' A' ' 64' ' ' ILE . 46.5 m-85 -141.03 122.26 14.79 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.555 1.159 . . . . 72.340000000000003 111.047 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.53 ' CD2' ' HA ' ' A' ' 30' ' ' PRO . 6.7 mt -110.26 76.75 1.0 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 74.329999999999998 109.302 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.631 HG21 ' HE2' ' A' ' 91' ' ' MET . 31.4 m -81.22 154.36 72.08 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 63.399999999999999 109.333 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' PRO . . . . . 0.462 ' HD3' ' CB ' ' B' ' 630' ' ' ALA . 18.1 Cg_endo -74.96 173.98 13.57 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.394 1.734 . . . . 72.439999999999998 110.962 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -86.83 18.04 3.7 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.45 1.094 . . . . 72.450000000000003 109.312 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 47.3 m-20 -119.44 -37.89 3.09 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.542 1.151 . . . . 72.409999999999997 109.278 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.432 ' HG ' ' CB ' ' A' ' 59' ' ' GLN . 0.5 OUTLIER -58.76 137.02 57.89 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.56 1.163 . . . . 73.349999999999994 109.259 -179.949 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.49 HG22 ' CD1' ' A' ' 90' ' ' LEU . 1.4 p -96.83 -175.67 3.35 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.529 1.143 . . . . 33.539999999999999 110.413 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.668 ' O ' HG23 ' A' ' 61' ' ' VAL . 2.6 t -70.64 -40.54 77.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.403 1.064 . . . . 60.439999999999998 109.26 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -66.5 -32.75 82.6 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.514 1.134 . . . . 73.230000000000004 111.026 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' GLN . . . . . 0.432 ' CB ' ' HG ' ' A' ' 55' ' ' LEU . 8.1 mt-30 -77.51 -24.0 50.15 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 0.748 . . . . 74.530000000000001 110.283 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.583 ' CZ ' HD11 ' A' ' 64' ' ' ILE . 36.5 t80 -77.13 -42.59 37.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 73.030000000000001 111.048 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.676 HG13 ' CG2' ' A' ' 76' ' ' ILE . 66.6 t -53.26 -34.45 22.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.506 1.129 . . . . 73.010000000000005 109.261 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.575 ' CE1' ' HD2' ' A' ' 66' ' ' LYS . 0.7 OUTLIER -57.74 -38.27 75.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 74.540000000000006 110.992 -179.97 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.653 HG11 ' HA ' ' B' ' 629' ' ' ILE . 64.3 t -74.72 -44.95 45.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 65.319999999999993 109.287 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.698 ' CD1' ' CE2' ' A' ' 49' ' ' TYR . 8.2 mm -60.38 -32.93 52.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.526 1.141 . . . . 74.049999999999997 109.334 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.431 ' CD ' ' HB3' ' A' ' 70' ' ' LEU . 5.5 tpp85 -82.32 -10.99 58.88 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.447 1.092 . . . . 63.25 110.286 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.575 ' HD2' ' CE1' ' A' ' 62' ' ' TYR . 4.6 mttp -86.57 -39.49 16.13 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.582 1.176 . . . . 71.450000000000003 109.316 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -59.67 -41.23 90.15 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.507 1.129 . . . . 74.150000000000006 110.387 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.608 HG21 ' O ' ' A' ' 42' ' ' PRO . 3.9 pt -99.82 4.25 10.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 74.209999999999994 109.31 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' MET . . . . . 0.402 ' C ' ' O ' ' A' ' 68' ' ' ILE . 3.5 ptp 37.43 34.53 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 64.340000000000003 110.916 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.499 HD12 ' HD2' ' A' ' 71' ' ' PRO . 19.5 tp -51.0 139.24 23.33 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.468 1.105 . . . . 62.43 109.286 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.499 ' HD2' HD12 ' A' ' 70' ' ' LEU . 18.2 Cg_endo -75.1 171.45 18.29 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.531 1.806 . . . . 75.310000000000002 110.988 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -14.92 21.14 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.505 1.792 . . . . 73.310000000000002 111.047 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -71.45 -18.94 62.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.607 1.192 . . . . 75.109999999999999 110.307 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 2.9 mttm -109.54 -179.02 3.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.416 1.073 . . . . 74.239999999999995 109.317 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -136.5 -179.45 5.69 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.542 1.151 . . . . 54.009999999999998 109.278 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.707 HD11 ' CD1' ' A' ' 109' ' ' TYR . 1.3 tt -165.62 136.08 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.469 1.106 . . . . 71.129999999999995 109.298 -179.892 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.635 ' HB3' HD11 ' A' ' 84' ' ' LEU . 89.1 m-85 -135.25 133.01 38.52 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.527 1.142 . . . . 70.230000000000004 111.094 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.636 ' CG1' HG22 ' A' ' 61' ' ' VAL . 5.7 mm -84.25 123.54 39.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.42 1.075 . . . . 70.040000000000006 109.337 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -112.86 122.19 46.9 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.535 1.147 . . . . 63.119999999999997 110.968 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.556 HG13 ' O ' ' A' ' 80' ' ' VAL . 8.2 p -125.78 108.31 19.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.46 1.1 . . . . 75.209999999999994 109.28 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 4.2 m120 73.27 29.07 1.73 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.466 1.104 . . . . 74.420000000000002 109.358 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 70.43 13.56 7.47 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.487 1.117 . . . . 75.129999999999995 109.361 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' THR . . . . . 0.508 ' O ' ' CG2' ' A' ' 83' ' ' THR . 0.5 OUTLIER -126.47 112.33 15.46 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.452 1.095 . . . . 74.25 110.418 -179.97 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.635 HD11 ' HB3' ' A' ' 77' ' ' PHE . 0.5 OUTLIER -73.34 115.21 38.82 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.59 1.181 . . . . 64.219999999999999 109.241 -179.969 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 161.06 39.44 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.447 1.761 . . . . 73.140000000000001 111.022 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 86' ' ' PRO . . . . . 0.713 ' HD2' ' HB2' ' A' ' 89' ' ' ALA . 18.4 Cg_endo -75.08 -179.79 5.35 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.486 1.782 . . . . 70.439999999999998 110.995 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 2.7 p -82.16 -35.05 28.8 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.438 1.086 . . . . 62.409999999999997 110.443 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -80.97 6.02 14.6 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.533 1.146 . . . . 71.439999999999998 109.302 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 1.095 ' HB1' HD11 ' A' ' 94' ' ' ILE . . . -76.34 62.66 1.84 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 73.430000000000007 109.263 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.559 ' C ' ' O ' ' A' ' 89' ' ' ALA . 0.6 OUTLIER -26.73 114.89 0.06 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.556 1.16 . . . . 71.209999999999994 109.309 179.963 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 91' ' ' MET . . . . . 0.631 ' HE2' HG21 ' A' ' 51' ' ' VAL . 48.7 mmm -40.28 -27.77 0.05 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.57 1.169 . . . . 71.209999999999994 110.984 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 92' ' ' SER . . . . . 0.419 ' N ' ' O ' ' A' ' 90' ' ' LEU . 0.4 OUTLIER -66.64 -52.08 48.96 Favored 'General case' 0 C--N 1.323 -0.563 0 O-C-N 124.543 1.152 . . . . 61.219999999999999 109.962 -179.907 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 93' ' ' ALA . . . . . 0.407 ' N ' ' O ' ' A' ' 90' ' ' LEU . . . -69.99 -8.27 47.69 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.56 1.163 . . . . 70.439999999999998 109.307 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 1.095 HD11 ' HB1' ' A' ' 89' ' ' ALA . 36.8 mm -92.44 -42.41 13.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.105 . . . . 61.530000000000001 109.297 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 95' ' ' TYR . . . . . 0.679 ' CB ' HG23 ' A' ' 29' ' ' ILE . 4.0 t80 -76.58 -4.54 43.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.115 . . . . 52.140000000000001 110.989 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 96' ' ' GLN . . . . . 0.442 ' O ' ' CG ' ' A' ' 96' ' ' GLN . 22.8 tp60 -104.26 -10.3 17.96 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.547 1.155 . . . . 73.329999999999998 110.242 -179.906 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 97' ' ' GLU . . . . . 0.408 ' HG3' ' CD2' ' A' ' 98' ' ' HIS . 5.8 pt-20 -121.22 -5.89 9.42 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.486 1.116 . . . . 70.129999999999995 110.287 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 98' ' ' HIS . . . . . 0.71 ' HB2' HD11 ' A' ' 105' ' ' LEU . 49.5 m170 -123.46 11.98 9.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.657 1.223 . . . . 62.030000000000001 109.606 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.482 ' HB3' ' O ' ' A' ' 95' ' ' TYR . 0.1 OUTLIER -67.09 155.45 38.68 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.537 1.148 . . . . 60.420000000000002 109.317 179.959 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 100' ' ' ASP . . . . . 0.422 ' O ' ' N ' ' A' ' 103' ' ' GLY . 1.3 t70 -130.63 178.21 6.8 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.425 1.078 . . . . 64.510000000000005 109.28 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 29.8 mtmm -47.06 -53.87 11.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.584 1.177 . . . . 74.239999999999995 109.265 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -61.62 -26.16 67.82 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.485 1.115 . . . . 52.350000000000001 109.312 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 103' ' ' GLY . . . . . 0.422 ' N ' ' O ' ' A' ' 100' ' ' ASP . . . 93.88 -39.39 2.94 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.519 1.137 . . . . 42.140000000000001 110.976 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 104' ' ' PHE . . . . . 0.553 ' O ' ' CE2' ' A' ' 106' ' ' TYR . 12.6 m-85 -57.36 122.18 11.96 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.499 0.764 . . . . 73.230000000000004 111.003 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.857 ' HB3' HG23 ' A' ' 31' ' ' VAL . 0.2 OUTLIER -61.75 163.48 7.32 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.435 1.084 . . . . 74.420000000000002 109.268 -179.95 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 106' ' ' TYR . . . . . 0.553 ' CE2' ' O ' ' A' ' 104' ' ' PHE . 81.5 m-85 -145.64 115.33 7.27 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.56 1.163 . . . . 64.400000000000006 110.983 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 107' ' ' VAL . . . . . 0.711 HG23 ' N ' ' A' ' 108' ' ' THR . 1.4 m -122.42 -178.29 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.455 1.097 . . . . 71.319999999999993 109.316 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 108' ' ' THR . . . . . 0.711 ' N ' HG23 ' A' ' 107' ' ' VAL . 1.2 m -153.22 106.12 2.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 74.209999999999994 110.372 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 109' ' ' TYR . . . . . 0.707 ' CD1' HD11 ' A' ' 76' ' ' ILE . 11.4 p90 -94.87 122.9 37.98 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.478 1.112 . . . . 63.539999999999999 110.974 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 110' ' ' SER . . . . . 0.458 ' HB2' ' HB3' ' A' ' 36' ' ' ALA . 15.2 t -134.46 155.14 50.87 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.538 1.149 . . . . 73.5 109.998 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -58.78 -40.64 95.28 Favored Glycine 0 CA--C 1.528 0.9 0 O-C-N 124.415 1.072 . . . . 54.340000000000003 110.935 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 25.9 pm0 -94.26 151.89 19.1 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.454 0.738 . . . . 65.25 110.326 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 60.2 t-20 . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 71.129999999999995 109.328 -179.95 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 629' ' ' ILE . . . . . 0.653 ' HA ' HG11 ' A' ' 63' ' ' VAL . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.27 -0.641 . . . . 61.409999999999997 109.27 . . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 630' ' ' ALA . . . . . 0.574 ' HB2' HG12 ' A' ' 51' ' ' VAL . . . . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 73.25 109.311 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 2.1 p . . . . . 0 N--CA 1.452 -0.353 0 N-CA-C 110.391 -0.226 . . . . 74.439999999999998 110.391 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 5' ' ' PHE . . . . . 0.609 ' CZ ' ' OH ' ' A' ' 9' ' ' TYR . 20.2 t80 -62.67 -12.7 25.09 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 75.109999999999999 110.997 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 12.0 tttt -100.48 -13.8 18.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.566 1.166 . . . . 72.109999999999999 109.302 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 28.8 t -103.63 5.29 36.37 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.528 1.143 . . . . 63.350000000000001 110.039 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' GLU . . . . . 0.573 ' HB3' ' CE2' ' A' ' 9' ' ' TYR . 18.9 tp10 -84.13 -18.4 36.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.412 1.07 . . . . 75.049999999999997 110.232 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 9' ' ' TYR . . . . . 0.609 ' OH ' ' CZ ' ' A' ' 5' ' ' PHE . 0.3 OUTLIER -159.26 171.33 7.51 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.565 1.166 . . . . 62.130000000000003 110.976 179.986 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -177.17 3.28 Favored 'Trans proline' 0 C--N 1.361 1.232 0 O-C-N 124.421 1.748 . . . . 44.439999999999998 111.033 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.53 ' HA ' ' CD ' ' A' ' 14' ' ' ARG . 1.0 OUTLIER -73.27 -22.85 60.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.41 1.069 . . . . 73.120000000000005 110.987 -179.95 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.48 ' HA ' ' CD ' ' A' ' 15' ' ' LYS . 40.4 mt-10 -75.57 -4.09 37.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.57 1.169 . . . . 72.25 110.351 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.542 ' HA ' ' HZ3' ' A' ' 13' ' ' LYS . 0.1 OUTLIER -86.17 -64.66 1.12 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.411 1.069 . . . . 72.310000000000002 109.29 -179.971 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.53 ' CD ' ' HA ' ' A' ' 11' ' ' PHE . 0.0 OUTLIER -57.83 -25.35 60.52 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.546 1.154 . . . . 72.400000000000006 110.348 179.97 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.48 ' CD ' ' HA ' ' A' ' 12' ' ' GLU . 34.0 pttt -76.55 -40.3 50.21 Favored 'General case' 0 C--N 1.323 -0.566 0 O-C-N 124.512 1.132 . . . . 63.020000000000003 109.27 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -74.81 -27.92 60.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.57 1.169 . . . . 52.130000000000003 109.352 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 36.7 tp10 -71.7 -42.59 67.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 64.25 110.261 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.52 ' HB3' ' CD1' ' A' ' 104' ' ' PHE . 60.2 p -73.58 -8.61 56.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.148 . . . . 73.400000000000006 110.027 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -81.45 -28.41 34.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 72.310000000000002 110.285 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 23.0 ptt180 -101.81 -29.8 11.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.412 1.07 . . . . 74.030000000000001 110.275 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 6.7 mt -62.34 -20.89 25.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.112 . . . . 70.129999999999995 109.251 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -71.98 -20.11 61.78 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.486 1.116 . . . . 53.32 109.263 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -101.74 -36.56 8.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.585 1.178 . . . . 74.040000000000006 109.297 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.506 ' HB3' ' CD2' ' A' ' 25' ' ' PHE . 0.2 OUTLIER -71.01 -53.1 15.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.459 1.099 . . . . 72.200000000000003 110.224 -179.929 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.506 ' CD2' ' HB3' ' A' ' 24' ' ' ARG . 4.7 m-85 -136.32 81.84 36.28 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.477 1.111 . . . . 64.319999999999993 110.995 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 -8.18 19.91 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.392 1.733 . . . . 74.200000000000003 110.91 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 7.5 p30 -107.42 27.29 9.25 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.421 1.075 . . . . 72.439999999999998 109.285 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.53 ' HB3' HD11 ' A' ' 50' ' ' LEU . 19.8 mmt-85 -113.85 178.1 4.4 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.477 1.111 . . . . 75.129999999999995 110.232 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.574 HG23 ' CB ' ' A' ' 95' ' ' TYR . 37.4 mm -147.64 93.02 4.65 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.351 1.032 . . . . 73.209999999999994 109.292 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.584 ' HD2' ' CE2' ' A' ' 95' ' ' TYR . 18.4 Cg_endo -75.04 119.72 5.76 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.554 1.818 . . . . 64.019999999999996 110.982 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.814 HG23 ' HB3' ' A' ' 105' ' ' LEU . 3.8 p -137.6 148.5 25.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.456 1.097 . . . . 75.340000000000003 109.39 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.554 HG23 ' O ' ' A' ' 47' ' ' ARG . 40.4 mm -113.1 105.53 18.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.142 . . . . 65.239999999999995 109.263 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.45 ' HB3' ' CE1' ' A' ' 49' ' ' TYR . 2.6 t -93.31 128.01 39.15 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.482 1.114 . . . . 43.200000000000003 108.3 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.458 ' O ' ' CD1' ' A' ' 109' ' ' TYR . 5.8 tp10 -125.77 166.04 17.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 74.129999999999995 110.308 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.569 ' HG2' ' CE2' ' A' ' 109' ' ' TYR . 0.0 OUTLIER -103.99 127.61 51.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.567 1.167 . . . . 74.109999999999999 109.292 179.957 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.419 ' N ' ' HD2' ' A' ' 35' ' ' LYS . . . -70.91 138.42 50.1 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.57 1.169 . . . . 61.539999999999999 109.274 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.453 ' CG ' ' N ' ' A' ' 38' ' ' LYS . 11.7 pt-20 -62.08 -49.28 76.57 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.537 1.148 . . . . 72.099999999999994 110.352 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.453 ' N ' ' CG ' ' A' ' 37' ' ' GLU . 0.1 OUTLIER -44.92 -50.93 10.21 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.543 1.152 . . . . 70.129999999999995 109.274 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -42.69 164.03 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.549 1.155 . . . . 61.219999999999999 110.039 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 68.3 m-20 -117.54 1.62 12.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.412 1.07 . . . . 65.120000000000005 109.313 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.601 HD11 ' CE2' ' A' ' 109' ' ' TYR . 0.1 OUTLIER -75.26 166.2 47.39 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.137 . . . . 75.430000000000007 109.35 179.916 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 42' ' ' PRO . . . . . 0.433 ' O ' HG21 ' A' ' 68' ' ' ILE . 18.3 Cg_endo -75.0 127.82 10.99 Favored 'Trans proline' 0 C--N 1.358 1.077 0 O-C-N 124.528 1.804 . . . . 64.400000000000006 110.942 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 7.7 tt0 -62.4 156.37 22.78 Favored 'General case' 0 C--N 1.327 -0.404 0 O-C-N 124.415 1.072 . . . . 74.430000000000007 110.301 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.496 HD12 ' OH ' ' A' ' 49' ' ' TYR . 16.5 tt -85.4 157.94 3.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.563 1.164 . . . . 73.530000000000001 109.284 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -62.22 -48.41 80.12 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.559 1.162 . . . . 74.129999999999995 109.263 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -143.3 165.49 27.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.566 1.166 . . . . 72.310000000000002 109.266 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.554 ' O ' HG23 ' A' ' 32' ' ' ILE . 3.5 ptm180 -111.46 94.88 5.19 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.636 1.21 . . . . 73.310000000000002 110.361 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.546 ' HD3' ' CE1' ' A' ' 5' ' ' PHE . 15.0 tptp -166.65 127.89 1.7 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 65.409999999999997 109.303 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.698 ' CE2' ' CD1' ' A' ' 64' ' ' ILE . 44.8 m-85 -149.43 104.14 3.35 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.465 1.103 . . . . 72.340000000000003 110.996 -179.899 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.53 HD11 ' HB3' ' A' ' 28' ' ' ARG . 17.9 tp -98.6 77.26 2.28 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.504 1.127 . . . . 74.329999999999998 109.318 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 1.027 HG12 ' HB2' ' B' ' 630' ' ' ALA . 30.2 m -82.35 157.7 67.49 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.463 1.102 . . . . 63.399999999999999 109.245 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.06 176.76 9.51 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.477 1.777 . . . . 72.439999999999998 110.977 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -89.65 18.31 5.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 72.450000000000003 109.281 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -117.42 -38.05 3.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.449 1.093 . . . . 72.409999999999997 109.361 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.444 HD21 ' HA ' ' A' ' 60' ' ' PHE . 0.4 OUTLIER -56.43 135.58 54.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 73.349999999999994 109.276 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 56' ' ' THR . . . . . 1.074 HG22 ' CD2' ' A' ' 90' ' ' LEU . 10.6 p -95.18 169.67 9.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 33.539999999999999 110.406 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.418 ' HB ' ' O ' ' A' ' 86' ' ' PRO . 2.4 t -59.83 -47.85 89.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 60.439999999999998 109.296 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -61.27 -30.96 75.41 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.442 1.089 . . . . 73.230000000000004 110.982 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 9.2 mt-30 -82.35 -21.12 36.11 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.519 0.776 . . . . 74.530000000000001 110.272 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.444 ' HA ' HD21 ' A' ' 55' ' ' LEU . 20.7 t80 -76.14 -41.98 48.29 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.501 1.126 . . . . 73.030000000000001 110.952 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.864 HG13 ' CG2' ' A' ' 76' ' ' ILE . 48.0 t -51.53 -38.05 20.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 73.010000000000005 109.311 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.522 ' CZ ' ' HE2' ' A' ' 66' ' ' LYS . 0.7 OUTLIER -55.19 -38.85 68.89 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.536 1.148 . . . . 74.540000000000006 110.956 -179.977 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.746 HG21 ' HA ' ' B' ' 630' ' ' ALA . 64.1 t -65.0 -38.14 82.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.123 . . . . 65.319999999999993 109.312 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.698 ' CD1' ' CE2' ' A' ' 49' ' ' TYR . 6.4 mm -69.04 -39.8 80.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.123 . . . . 74.049999999999997 109.361 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.458 ' CD ' ' HB3' ' A' ' 70' ' ' LEU . 5.9 tpp85 -72.84 -3.78 27.65 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.424 1.077 . . . . 63.25 110.387 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.522 ' HE2' ' CZ ' ' A' ' 62' ' ' TYR . 0.7 OUTLIER -94.14 -42.73 8.83 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.395 1.059 . . . . 71.450000000000003 109.25 -179.91 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -60.55 -36.95 79.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.582 1.176 . . . . 74.150000000000006 110.297 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.545 HD11 ' CD1' ' A' ' 76' ' ' ILE . 2.7 pt -105.57 4.03 10.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.557 1.161 . . . . 74.209999999999994 109.348 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' MET . . . . . 0.405 ' C ' ' O ' ' A' ' 68' ' ' ILE . 4.9 ptp 37.47 33.55 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.142 . . . . 64.340000000000003 111.006 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.489 HD22 HD12 ' A' ' 68' ' ' ILE . 5.4 tp -54.24 140.48 53.96 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 62.43 109.288 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.95 170.93 19.31 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.57 1.826 . . . . 75.310000000000002 111.026 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 -2.15 12.16 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.554 1.818 . . . . 73.310000000000002 111.051 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -87.96 2.13 52.44 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.504 1.128 . . . . 75.109999999999999 110.311 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 11.1 mttm -121.38 -179.09 3.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 74.239999999999995 109.284 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -141.67 149.61 40.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 54.009999999999998 109.272 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.864 ' CG2' HG13 ' A' ' 61' ' ' VAL . 2.6 tt -141.83 124.91 15.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.576 1.173 . . . . 71.129999999999995 109.326 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.831 ' HB3' HD21 ' A' ' 84' ' ' LEU . 99.0 m-85 -119.87 134.32 55.28 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.553 1.158 . . . . 70.230000000000004 111.013 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.658 ' CG2' HG21 ' A' ' 107' ' ' VAL . 3.2 mm -86.85 114.22 25.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 70.040000000000006 109.347 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -104.47 118.74 37.35 Favored 'General case' 0 C--N 1.323 -0.556 0 O-C-N 124.6 1.188 . . . . 63.119999999999997 110.974 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.778 HG22 ' OD1' ' A' ' 81' ' ' ASN . 1.7 p -125.9 105.22 14.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.409 1.068 . . . . 75.209999999999994 109.312 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 81' ' ' ASN . . . . . 0.778 ' OD1' HG22 ' A' ' 80' ' ' VAL . 1.8 m120 74.71 31.87 0.91 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.458 1.099 . . . . 74.420000000000002 109.297 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 69.43 13.16 8.4 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.494 1.121 . . . . 75.129999999999995 109.285 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' THR . . . . . 0.67 HG22 ' O ' ' A' ' 80' ' ' VAL . 0.6 OUTLIER -119.5 141.58 49.06 Favored 'General case' 0 C--N 1.327 -0.408 0 O-C-N 124.526 1.141 . . . . 74.25 110.387 179.951 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.831 HD21 ' HB3' ' A' ' 77' ' ' PHE . 1.3 mt -103.59 110.33 63.66 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 64.219999999999999 109.25 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.12 156.83 42.51 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.52 1.8 . . . . 73.140000000000001 111.029 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' PRO . . . . . 0.68 ' HD2' ' HB2' ' A' ' 89' ' ' ALA . 18.3 Cg_endo -75.0 175.59 11.04 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.491 1.785 . . . . 70.439999999999998 110.99 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 20.8 p -77.43 -35.36 54.14 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.478 1.111 . . . . 62.409999999999997 110.371 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -77.19 1.48 18.27 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.542 1.152 . . . . 71.439999999999998 109.306 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.915 ' HB1' HD11 ' A' ' 94' ' ' ILE . . . -75.92 61.21 1.45 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 73.430000000000007 109.31 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 1.074 ' CD2' HG22 ' A' ' 56' ' ' THR . 20.8 mt -27.65 118.79 0.1 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.55 1.156 . . . . 71.209999999999994 109.273 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 91' ' ' MET . . . . . 0.589 ' HE2' HG21 ' A' ' 51' ' ' VAL . 48.7 mmm -39.68 -28.01 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.148 . . . . 71.209999999999994 111.004 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 92' ' ' SER . . . . . 0.437 ' N ' ' O ' ' A' ' 90' ' ' LEU . 18.0 t -65.56 -49.28 69.47 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.464 1.102 . . . . 61.219999999999999 110.015 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 93' ' ' ALA . . . . . 0.458 ' N ' ' O ' ' A' ' 90' ' ' LEU . . . -73.21 -8.3 55.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 70.439999999999998 109.286 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.915 HD11 ' HB1' ' A' ' 89' ' ' ALA . 13.2 mm -88.18 -52.1 11.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.128 . . . . 61.530000000000001 109.217 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 95' ' ' TYR . . . . . 0.75 ' CD2' HD23 ' A' ' 105' ' ' LEU . 5.2 t80 -69.28 -6.33 28.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.552 1.157 . . . . 52.140000000000001 110.952 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 96' ' ' GLN . . . . . 0.435 ' O ' ' CG ' ' A' ' 96' ' ' GLN . 3.7 tt0 -102.82 -11.68 18.13 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.496 1.122 . . . . 73.329999999999998 110.321 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -113.59 -18.24 11.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 70.129999999999995 110.3 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 98' ' ' HIS . . . . . 0.516 ' HD2' HG23 ' A' ' 94' ' ' ILE . 60.0 m-70 -119.65 19.15 12.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 62.030000000000001 109.572 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.512 ' HB3' ' O ' ' A' ' 95' ' ' TYR . 0.1 OUTLIER -58.75 158.11 8.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.117 . . . . 60.420000000000002 109.316 179.928 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 100' ' ' ASP . . . . . 0.436 ' O ' ' N ' ' A' ' 103' ' ' GLY . 0.3 OUTLIER -127.76 170.57 12.6 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.424 1.078 . . . . 64.510000000000005 109.303 179.933 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 30.9 mtmt -42.75 -65.68 0.45 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 74.239999999999995 109.292 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -52.81 -28.45 22.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.444 1.09 . . . . 52.350000000000001 109.359 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 103' ' ' GLY . . . . . 0.436 ' N ' ' O ' ' A' ' 100' ' ' ASP . . . 104.98 -38.6 3.21 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.588 1.18 . . . . 42.140000000000001 110.934 179.882 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 104' ' ' PHE . . . . . 0.52 ' CD1' ' HB3' ' A' ' 18' ' ' SER . 2.9 m-85 -54.96 144.68 22.38 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.517 0.775 . . . . 73.230000000000004 111.048 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.814 ' HB3' HG23 ' A' ' 31' ' ' VAL . 0.2 OUTLIER -85.89 155.34 20.98 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.568 1.167 . . . . 74.420000000000002 109.248 -179.961 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 106' ' ' TYR . . . . . 0.515 ' OH ' ' CZ ' ' A' ' 14' ' ' ARG . 59.9 m-85 -146.21 109.13 4.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.55 1.156 . . . . 64.400000000000006 111.017 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 107' ' ' VAL . . . . . 0.727 HG23 ' N ' ' A' ' 108' ' ' THR . 1.3 m -119.54 -176.35 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.11 . . . . 71.319999999999993 109.295 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 108' ' ' THR . . . . . 0.727 ' N ' HG23 ' A' ' 107' ' ' VAL . 1.2 m -153.28 113.52 3.97 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.552 1.157 . . . . 74.209999999999994 110.337 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 109' ' ' TYR . . . . . 0.767 ' CD2' HD11 ' A' ' 76' ' ' ILE . 29.9 p90 -94.41 131.73 39.78 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.465 1.103 . . . . 63.539999999999999 111.008 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 110' ' ' SER . . . . . 0.416 ' HB3' ' HB3' ' A' ' 36' ' ' ALA . 0.1 OUTLIER -132.6 166.5 21.97 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.431 1.082 . . . . 73.5 109.981 179.974 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 111' ' ' GLY . . . . . 0.445 ' HA3' ' CG2' ' A' ' 41' ' ' ILE . . . -83.95 2.94 86.96 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.581 1.176 . . . . 54.340000000000003 111.024 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -121.39 156.03 33.53 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.436 0.727 . . . . 65.25 110.35 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 113' ' ' ASN . . . . . 0.552 ' ND2' HD13 ' A' ' 84' ' ' LEU . 16.2 t-20 . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.562 1.164 . . . . 71.129999999999995 109.241 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 629' ' ' ILE . . . . . 0.607 ' C ' HG11 ' A' ' 63' ' ' VAL . 0.8 OUTLIER . . . . . 0 N--CA 1.454 -0.253 0 N-CA-C 109.312 -0.625 . . . . 61.409999999999997 109.312 . . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 630' ' ' ALA . . . . . 1.027 ' HB2' HG12 ' A' ' 51' ' ' VAL . . . . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.402 1.064 . . . . 73.25 109.357 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.453 ' OG1' ' N ' ' A' ' 5' ' ' PHE . 71.0 p . . . . . 0 N--CA 1.452 -0.334 0 N-CA-C 110.394 -0.224 . . . . 74.439999999999998 110.394 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' PHE . . . . . 0.603 ' CE1' ' OH ' ' A' ' 9' ' ' TYR . 8.5 t80 -60.85 -16.63 43.45 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.55 1.156 . . . . 75.109999999999999 110.993 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.427 ' CB ' ' HD3' ' A' ' 47' ' ' ARG . 27.8 ttpp -96.77 -24.47 15.92 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.532 1.145 . . . . 72.109999999999999 109.286 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 1.8 t -97.68 3.62 50.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 63.350000000000001 109.941 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' GLU . . . . . 0.409 ' OE2' ' HA ' ' A' ' 8' ' ' GLU . 1.6 mm-40 -78.01 -10.69 59.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.148 . . . . 75.049999999999997 110.282 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' TYR . . . . . 0.603 ' OH ' ' CE1' ' A' ' 5' ' ' PHE . 0.8 OUTLIER -170.12 167.68 4.71 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.495 1.122 . . . . 62.130000000000003 111.005 -179.985 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 172.14 16.93 Favored 'Trans proline' 0 C--N 1.361 1.237 0 O-C-N 124.444 1.76 . . . . 44.439999999999998 111.009 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.577 ' CE2' ' HB3' ' A' ' 102' ' ' ASP . 0.9 OUTLIER -63.15 -44.02 96.68 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.466 1.104 . . . . 73.120000000000005 110.986 179.953 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.424 ' HA ' ' CD ' ' A' ' 15' ' ' LYS . 38.5 mt-10 -58.84 -15.27 11.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 72.25 110.24 -179.905 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 9.5 tppt? -94.75 -52.72 4.15 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.44 1.087 . . . . 72.310000000000002 109.357 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.477 ' HD3' ' CB ' ' A' ' 104' ' ' PHE . 1.7 tmm_? -63.61 -19.72 65.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 72.400000000000006 110.26 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.566 ' HD3' ' CE1' ' A' ' 11' ' ' PHE . 48.0 pttt -77.06 -43.96 32.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.456 1.097 . . . . 63.020000000000003 109.297 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -71.16 -13.52 61.97 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.577 1.173 . . . . 52.130000000000003 109.333 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 39.1 tp10 -76.69 -41.06 46.8 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.439 1.087 . . . . 64.25 110.334 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.447 ' HB3' ' CD2' ' A' ' 104' ' ' PHE . 0.6 OUTLIER -76.58 -17.99 58.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 73.400000000000006 109.982 179.976 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 20.5 mm-40 -65.41 -58.03 6.86 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.593 1.183 . . . . 72.310000000000002 110.337 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 3.8 ptt180 -63.65 -26.28 68.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 74.030000000000001 110.305 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 5.6 mt -65.82 -24.32 34.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.104 . . . . 70.129999999999995 109.232 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -71.5 -27.51 63.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 53.32 109.218 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 39.1 t0 -88.37 -48.79 7.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 74.040000000000006 109.329 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.507 ' HB3' ' CD2' ' A' ' 25' ' ' PHE . 1.8 ttp85 -61.23 -44.27 97.54 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.467 1.104 . . . . 72.200000000000003 110.302 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.507 ' CD2' ' HB3' ' A' ' 24' ' ' ARG . 9.5 m-85 -142.73 88.29 8.64 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.445 1.091 . . . . 64.319999999999993 111.051 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 -25.75 11.68 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.483 1.781 . . . . 74.200000000000003 111.066 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 -97.24 43.01 1.08 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.399 1.062 . . . . 72.439999999999998 109.311 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.461 ' CG ' ' HB3' ' A' ' 25' ' ' PHE . 0.1 OUTLIER -128.35 168.25 15.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 75.129999999999995 110.358 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.561 HG23 ' CB ' ' A' ' 95' ' ' TYR . 11.7 mm -127.38 99.8 27.01 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 73.209999999999994 109.22 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.602 ' HA ' HD22 ' A' ' 50' ' ' LEU . 18.4 Cg_endo -75.02 109.74 2.99 Favored 'Trans proline' 0 C--N 1.361 1.224 0 O-C-N 124.423 1.749 . . . . 64.019999999999996 110.982 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.641 ' O ' HD13 ' A' ' 32' ' ' ILE . 1.5 m -129.4 168.12 23.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.559 1.162 . . . . 75.340000000000003 109.281 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.757 HD11 ' CD1' ' A' ' 104' ' ' PHE . 3.8 mm -136.43 99.6 2.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.451 1.094 . . . . 65.239999999999995 109.191 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.601 ' SG ' HD12 ' A' ' 64' ' ' ILE . 3.7 t -64.31 135.55 56.31 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.538 1.149 . . . . 43.200000000000003 108.347 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.879 ' CG ' HH21 ' A' ' 47' ' ' ARG . 2.4 tt0 -138.75 166.69 23.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.113 . . . . 74.129999999999995 110.236 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.26 136.87 53.42 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.419 1.074 . . . . 74.109999999999999 109.336 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -82.94 133.99 35.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 61.539999999999999 109.356 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.466 ' CG ' ' N ' ' A' ' 38' ' ' LYS . 11.5 pt-20 -61.99 -49.08 77.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 72.099999999999994 110.365 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.466 ' N ' ' CG ' ' A' ' 37' ' ' GLU . 0.0 OUTLIER -44.92 -30.41 1.0 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.419 1.074 . . . . 70.129999999999995 109.205 -179.98 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -65.87 171.74 4.15 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.136 . . . . 61.219999999999999 109.942 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 19.4 t0 -127.21 18.67 7.03 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.455 1.097 . . . . 65.120000000000005 109.222 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.594 HD11 ' CE2' ' A' ' 109' ' ' TYR . 0.1 OUTLIER -94.12 164.14 21.29 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.431 1.082 . . . . 75.430000000000007 109.312 -179.947 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 42' ' ' PRO . . . . . 0.484 ' O ' HG21 ' A' ' 68' ' ' ILE . 18.2 Cg_endo -75.12 130.47 13.18 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.504 1.792 . . . . 64.400000000000006 111.006 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 15.5 tt0 -71.46 156.58 39.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 74.430000000000007 110.252 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.678 HD11 ' HG3' ' A' ' 67' ' ' ARG . 13.8 tt -73.59 170.72 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.554 1.159 . . . . 73.530000000000001 109.405 179.904 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 39.1 m-20 -76.17 -44.21 39.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 74.129999999999995 109.354 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.415 ' N ' ' CD ' ' A' ' 46' ' ' LYS . 0.0 OUTLIER -138.92 168.88 18.85 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 72.310000000000002 109.318 179.961 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.879 HH21 ' CG ' ' A' ' 34' ' ' GLU . 0.2 OUTLIER -119.28 92.16 3.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 73.310000000000002 110.332 -179.958 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.626 ' NZ ' HD23 ' A' ' 50' ' ' LEU . 17.5 tptt -167.89 113.47 0.69 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.644 1.215 . . . . 65.409999999999997 109.369 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.64 ' CE2' ' CD1' ' A' ' 64' ' ' ILE . 18.5 m-85 -137.46 121.72 18.09 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 72.340000000000003 110.965 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.626 HD23 ' NZ ' ' A' ' 48' ' ' LYS . 0.5 OUTLIER -105.42 76.58 1.22 Allowed 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.484 1.115 . . . . 74.329999999999998 109.344 179.976 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.724 HG23 ' HD2' ' A' ' 52' ' ' PRO . 2.4 p -75.61 144.03 76.47 Favored Pre-proline 0 C--N 1.326 -0.423 0 O-C-N 124.419 1.075 . . . . 63.399999999999999 109.284 -179.903 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' PRO . . . . . 0.724 ' HD2' HG23 ' A' ' 51' ' ' VAL . 18.1 Cg_endo -75.01 174.89 12.0 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.506 1.793 . . . . 72.439999999999998 110.949 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.529 ' HB1' ' OG ' ' A' ' 92' ' ' SER . . . -89.64 19.16 4.81 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.592 1.182 . . . . 72.450000000000003 109.316 179.902 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -120.08 -38.72 2.9 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.478 1.111 . . . . 72.409999999999997 109.403 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.443 ' HG ' ' CB ' ' A' ' 59' ' ' GLN . 2.8 tp -60.66 132.84 55.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 73.349999999999994 109.231 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.416 HG22 ' CD1' ' A' ' 90' ' ' LEU . 1.3 p -89.59 -173.48 3.97 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.546 1.154 . . . . 33.539999999999999 110.355 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 2.4 t -73.56 -44.81 52.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.536 1.147 . . . . 60.439999999999998 109.299 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -70.22 -9.2 63.49 Favored Glycine 0 CA--C 1.529 0.921 0 O-C-N 124.411 1.069 . . . . 73.230000000000004 111.007 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' GLN . . . . . 0.443 ' CB ' ' HG ' ' A' ' 55' ' ' LEU . 6.7 mt-30 -95.68 -24.74 16.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.449 0.735 . . . . 74.530000000000001 110.27 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.65 ' CE2' HD11 ' A' ' 64' ' ' ILE . 44.1 t80 -77.77 -42.62 33.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.116 . . . . 73.030000000000001 111.006 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.706 HG22 HG12 ' A' ' 78' ' ' ILE . 95.6 t -47.91 -34.01 4.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 73.010000000000005 109.248 -179.917 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.565 ' CE1' ' HG3' ' A' ' 66' ' ' LYS . 0.2 OUTLIER -60.79 -38.85 86.7 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.557 1.161 . . . . 74.540000000000006 111.0 -179.98 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 1.016 HG21 ' C ' ' B' ' 630' ' ' ALA . 43.7 t -70.07 -43.47 79.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 65.319999999999993 109.329 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.65 HD11 ' CE2' ' A' ' 60' ' ' PHE . 3.8 mm -65.51 -33.88 66.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.547 1.154 . . . . 74.049999999999997 109.318 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.463 ' HE ' HG22 ' A' ' 76' ' ' ILE . 4.4 tpp85 -81.27 -3.25 51.88 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.455 1.097 . . . . 63.25 110.243 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.565 ' HG3' ' CE1' ' A' ' 62' ' ' TYR . 6.7 mmmt -90.52 -49.9 6.24 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.595 1.184 . . . . 71.450000000000003 109.297 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' ARG . . . . . 0.678 ' HG3' HD11 ' A' ' 44' ' ' ILE . 5.5 mmp_? -50.17 -67.5 0.25 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 74.150000000000006 110.293 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.496 ' O ' ' CG ' ' A' ' 69' ' ' MET . 5.7 pt -72.02 -6.23 7.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.128 . . . . 74.209999999999994 109.283 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' MET . . . . . 0.496 ' CG ' ' O ' ' A' ' 68' ' ' ILE . 5.2 ptp 42.73 44.04 3.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 64.340000000000003 110.98 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.535 HD12 ' HA ' ' A' ' 70' ' ' LEU . 5.2 tp -53.96 140.51 51.07 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 62.43 109.276 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 170.04 21.29 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.544 1.813 . . . . 75.310000000000002 110.937 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.12 -0.42 9.98 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.457 1.767 . . . . 73.310000000000002 111.012 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 18.3 pt-20 -92.62 2.92 56.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 75.109999999999999 110.311 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -125.87 -179.62 4.76 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.5 1.125 . . . . 74.239999999999995 109.356 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -139.36 160.88 38.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.563 1.165 . . . . 54.009999999999998 109.304 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.883 HD11 ' CD2' ' A' ' 109' ' ' TYR . 1.6 tt -150.98 135.78 9.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.562 1.164 . . . . 71.129999999999995 109.231 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.735 ' HB3' HD11 ' A' ' 84' ' ' LEU . 94.8 m-85 -135.97 138.01 41.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 70.230000000000004 111.04 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.736 HG23 HG13 ' A' ' 107' ' ' VAL . 10.3 mm -84.1 135.4 24.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.557 1.161 . . . . 70.040000000000006 109.376 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 79' ' ' PHE . . . . . 0.507 ' CZ ' HD13 ' A' ' 84' ' ' LEU . 3.9 m-85 -127.2 119.99 27.71 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.433 1.083 . . . . 63.119999999999997 111.0 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.563 ' O ' HG22 ' A' ' 83' ' ' THR . 1.7 t -119.15 109.45 26.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.464 1.102 . . . . 75.209999999999994 109.38 179.888 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 81' ' ' ASN . . . . . 0.517 ' O ' ' CB ' ' A' ' 82' ' ' ASP . 2.7 m120 71.95 19.46 4.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.106 . . . . 74.420000000000002 109.24 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 82' ' ' ASP . . . . . 0.517 ' CB ' ' O ' ' A' ' 81' ' ' ASN . 3.9 m-20 82.78 23.42 0.17 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.411 1.069 . . . . 75.129999999999995 109.315 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 83' ' ' THR . . . . . 0.563 HG22 ' O ' ' A' ' 80' ' ' VAL . 0.7 OUTLIER -131.09 133.64 45.84 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.62 1.2 . . . . 74.25 110.375 179.987 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.735 HD11 ' HB3' ' A' ' 77' ' ' PHE . 0.2 OUTLIER -92.07 112.1 53.28 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 64.219999999999999 109.354 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 166.75 28.56 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.524 1.802 . . . . 73.140000000000001 111.043 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' PRO . . . . . 0.888 ' HG2' ' HB2' ' A' ' 89' ' ' ALA . 18.3 Cg_endo -75.04 -167.41 0.42 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.478 1.778 . . . . 70.439999999999998 111.017 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 2.8 p -97.48 -37.96 9.78 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.476 1.11 . . . . 62.409999999999997 110.351 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -82.42 6.77 16.13 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 71.439999999999998 109.307 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 1.039 ' HB1' HD11 ' A' ' 94' ' ' ILE . . . -76.11 61.65 1.59 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.529 1.143 . . . . 73.430000000000007 109.335 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.589 ' C ' ' O ' ' A' ' 89' ' ' ALA . 0.4 OUTLIER -24.48 122.4 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.521 1.138 . . . . 71.209999999999994 109.239 -179.959 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 91' ' ' MET . . . . . 0.432 ' CG ' ' O ' ' A' ' 55' ' ' LEU . 41.5 mmm -53.55 -17.94 2.47 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.464 1.103 . . . . 71.209999999999994 110.984 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 92' ' ' SER . . . . . 0.529 ' OG ' ' HB1' ' A' ' 53' ' ' ALA . 5.3 t -72.92 -39.31 66.4 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.447 1.092 . . . . 61.219999999999999 109.987 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -85.28 -9.91 57.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 70.439999999999998 109.315 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 1.039 HD11 ' HB1' ' A' ' 89' ' ' ALA . 23.3 mm -83.88 -46.22 18.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.569 1.168 . . . . 61.530000000000001 109.262 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 95' ' ' TYR . . . . . 0.596 ' CE2' ' HD2' ' A' ' 30' ' ' PRO . 14.5 t80 -70.52 -4.24 21.92 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.464 1.102 . . . . 52.140000000000001 111.023 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -100.92 -12.44 18.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 73.329999999999998 110.272 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -118.75 -8.18 10.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.457 1.098 . . . . 70.129999999999995 110.25 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 98' ' ' HIS . . . . . 0.512 ' CD2' ' OD1' ' A' ' 81' ' ' ASN . 39.1 m80 -129.45 18.07 5.87 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 62.030000000000001 109.635 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.509 ' HB3' ' O ' ' A' ' 95' ' ' TYR . 0.0 OUTLIER -54.64 174.0 0.07 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.422 1.077 . . . . 60.420000000000002 109.264 -179.944 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -137.06 166.07 24.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 64.510000000000005 109.26 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 19.1 mtmm -58.85 -46.31 88.03 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.45 1.094 . . . . 74.239999999999995 109.319 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 102' ' ' ASP . . . . . 0.577 ' HB3' ' CE2' ' A' ' 11' ' ' PHE . 0.4 OUTLIER -70.09 -8.28 48.22 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.495 1.122 . . . . 52.350000000000001 109.322 179.944 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 87.73 -39.68 3.1 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.538 1.149 . . . . 42.140000000000001 110.954 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 104' ' ' PHE . . . . . 0.757 ' CD1' HD11 ' A' ' 32' ' ' ILE . 2.9 m-85 -65.08 130.04 41.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 0.781 . . . . 73.230000000000004 110.965 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.466 HD12 ' HA ' ' A' ' 105' ' ' LEU . 4.2 tp -71.27 167.7 18.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 74.420000000000002 109.261 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 106' ' ' TYR . . . . . 0.449 ' OH ' ' NH2' ' A' ' 14' ' ' ARG . 63.6 m-85 -141.91 88.76 2.14 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.59 1.181 . . . . 64.400000000000006 110.979 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 107' ' ' VAL . . . . . 0.736 HG13 HG23 ' A' ' 78' ' ' ILE . 2.1 t -90.98 163.45 2.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.552 1.158 . . . . 71.319999999999993 109.253 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 108' ' ' THR . . . . . 0.825 HG23 ' HB3' ' A' ' 34' ' ' GLU . 0.2 OUTLIER -152.56 108.59 3.36 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.114 . . . . 74.209999999999994 110.476 180.0 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 109' ' ' TYR . . . . . 0.883 ' CD2' HD11 ' A' ' 76' ' ' ILE . 37.4 p90 -95.07 138.79 32.32 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.132 . . . . 63.539999999999999 110.949 -179.909 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 28.8 t -137.1 154.18 50.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.461 1.101 . . . . 73.5 110.066 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -81.14 5.13 67.9 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.512 1.132 . . . . 54.340000000000003 110.99 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -116.77 134.91 54.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 0.753 . . . . 65.25 110.326 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 113' ' ' ASN . . . . . 0.467 ' HB2' ' CE2' ' A' ' 77' ' ' PHE . 21.8 t-20 . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.467 1.105 . . . . 71.129999999999995 109.368 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 629' ' ' ILE . . . . . 0.6 ' C ' HD12 ' B' ' 629' ' ' ILE . 1.2 pp . . . . . 0 N--CA 1.452 -0.335 0 N-CA-C 109.251 -0.648 . . . . 61.409999999999997 109.251 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 630' ' ' ALA . . . . . 1.016 ' C ' HG21 ' A' ' 63' ' ' VAL . . . . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.114 . . . . 73.25 109.342 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.433 ' OG1' ' HA ' ' A' ' 46' ' ' LYS . 61.5 p . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 110.399 -0.222 . . . . 74.439999999999998 110.399 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' PHE . . . . . 0.564 ' O ' ' CZ ' ' A' ' 9' ' ' TYR . 9.5 t80 -55.26 -17.61 4.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.554 1.159 . . . . 75.109999999999999 111.017 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.486 ' HZ2' ' CZ ' ' A' ' 47' ' ' ARG . 0.0 OUTLIER -100.13 -26.71 13.85 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.515 1.134 . . . . 72.109999999999999 109.368 179.956 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -87.12 4.95 40.17 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.365 1.041 . . . . 63.350000000000001 109.973 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 8' ' ' GLU . . . . . 0.568 ' HB3' ' CD2' ' A' ' 9' ' ' TYR . 1.4 tp10 -87.09 -37.15 17.66 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 75.049999999999997 110.279 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' TYR . . . . . 0.568 ' CD2' ' HB3' ' A' ' 8' ' ' GLU . 0.4 OUTLIER -143.7 169.09 11.07 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.506 1.129 . . . . 62.130000000000003 110.974 -179.965 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 177.81 8.07 Favored 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.528 1.804 . . . . 44.439999999999998 111.079 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.436 ' CE2' ' HB3' ' A' ' 102' ' ' ASP . 2.0 t80 -62.07 -54.05 46.86 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.604 1.19 . . . . 73.120000000000005 110.991 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.435 ' O ' ' N ' ' A' ' 15' ' ' LYS . 29.3 mp0 -46.81 -55.34 8.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.13 . . . . 72.25 110.277 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.42 ' HG2' ' CB ' ' A' ' 9' ' ' TYR . 0.1 OUTLIER -45.45 -31.41 1.72 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.396 1.06 . . . . 72.310000000000002 109.315 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.469 ' NH2' ' CZ ' ' A' ' 106' ' ' TYR . 14.8 mtp85 -84.39 -35.02 23.44 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.469 1.106 . . . . 72.400000000000006 110.229 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.435 ' N ' ' O ' ' A' ' 12' ' ' GLU . 9.3 pttt -62.48 -42.57 99.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.135 . . . . 63.020000000000003 109.348 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -68.38 -25.38 65.04 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.402 1.063 . . . . 52.130000000000003 109.315 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.401 ' C ' ' N ' ' A' ' 19' ' ' GLU . 28.0 tp10 -71.79 -68.24 0.47 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.385 1.053 . . . . 64.25 110.306 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 4.4 p -47.48 -24.6 0.86 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 73.400000000000006 110.006 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.401 ' N ' ' C ' ' A' ' 17' ' ' GLU . 6.1 mm-40 -63.28 -42.86 99.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 72.310000000000002 110.28 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 24.5 mtp180 -77.49 -36.11 52.99 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.509 1.13 . . . . 74.030000000000001 110.257 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 19.3 mt -60.62 -18.5 17.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.55 1.156 . . . . 70.129999999999995 109.285 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -74.36 -26.08 59.91 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.559 1.162 . . . . 53.32 109.331 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 63.1 t0 -94.97 -37.07 11.32 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.455 1.097 . . . . 74.040000000000006 109.27 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.543 ' HB3' ' CE2' ' A' ' 25' ' ' PHE . 6.8 mtp180 -68.31 -50.69 51.77 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.564 1.165 . . . . 72.200000000000003 110.312 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.543 ' CE2' ' HB3' ' A' ' 24' ' ' ARG . 3.2 m-85 -140.02 91.26 10.29 Favored Pre-proline 0 C--N 1.324 -0.528 0 O-C-N 124.598 1.186 . . . . 64.319999999999993 111.002 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 -29.61 8.14 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.485 1.782 . . . . 74.200000000000003 111.048 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 5.1 m-20 -91.14 40.03 1.01 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 72.439999999999998 109.214 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.404 ' HD3' ' HA ' ' A' ' 52' ' ' PRO . 12.5 mmt85 -125.25 171.26 10.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 75.129999999999995 110.32 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.544 HD12 ' HA ' ' A' ' 92' ' ' SER . 20.3 mm -138.55 96.73 9.55 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 73.209999999999994 109.276 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.564 ' HD2' ' CE2' ' A' ' 95' ' ' TYR . 18.1 Cg_endo -75.07 121.08 6.33 Favored 'Trans proline' 0 C--N 1.359 1.099 0 O-C-N 124.464 1.77 . . . . 64.019999999999996 110.965 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.511 HG13 HG22 ' A' ' 51' ' ' VAL . 0.9 OUTLIER -132.74 173.92 14.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.584 1.177 . . . . 75.340000000000003 109.251 -179.966 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.593 HG22 ' HB2' ' A' ' 47' ' ' ARG . 6.1 mm -136.1 98.5 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.467 1.105 . . . . 65.239999999999995 109.282 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.62 ' HA ' HG13 ' A' ' 107' ' ' VAL . 2.0 t -85.41 122.48 29.63 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.573 1.17 . . . . 43.200000000000003 108.266 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.442 ' OE2' HG22 ' A' ' 44' ' ' ILE . 7.7 tp10 -134.23 159.22 41.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.555 1.159 . . . . 74.129999999999995 110.238 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.567 ' HG2' ' CE2' ' A' ' 109' ' ' TYR . 0.1 OUTLIER -99.59 124.26 44.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.12 . . . . 74.109999999999999 109.293 -179.92 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.412 ' N ' ' HD2' ' A' ' 35' ' ' LYS . . . -55.35 176.78 0.05 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.562 1.163 . . . . 61.539999999999999 109.283 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.455 ' CG ' ' N ' ' A' ' 38' ' ' LYS . 11.9 pt-20 -96.3 -51.07 4.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.626 1.204 . . . . 72.099999999999994 110.31 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.455 ' N ' ' CG ' ' A' ' 37' ' ' GLU . 12.0 mmmt -47.74 -48.48 29.81 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.478 1.111 . . . . 70.129999999999995 109.245 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.413 ' HB3' ' NZ ' ' A' ' 35' ' ' LYS . 0.3 OUTLIER -39.74 158.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 61.219999999999999 110.035 -179.994 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -114.25 2.65 14.87 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.4 1.063 . . . . 65.120000000000005 109.299 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.626 HD11 ' CE2' ' A' ' 109' ' ' TYR . 0.1 OUTLIER -77.27 166.77 41.89 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.547 1.155 . . . . 75.430000000000007 109.293 -179.959 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 42' ' ' PRO . . . . . 0.416 ' O ' HG21 ' A' ' 68' ' ' ILE . 18.3 Cg_endo -75.06 120.3 5.99 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.52 1.8 . . . . 64.400000000000006 111.004 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -58.39 141.64 50.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.144 . . . . 74.430000000000007 110.23 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.762 HD11 ' OH ' ' A' ' 49' ' ' TYR . 4.6 tt -60.61 173.83 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.132 . . . . 73.530000000000001 109.356 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -77.77 -35.35 51.72 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.441 1.088 . . . . 74.129999999999995 109.321 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.433 ' HA ' ' OG1' ' A' ' 4' ' ' THR . 0.0 OUTLIER -163.48 169.55 18.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.142 . . . . 72.310000000000002 109.287 179.965 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.593 ' HB2' HG22 ' A' ' 32' ' ' ILE . 3.5 ptm180 -113.94 94.98 5.08 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.44 1.087 . . . . 73.310000000000002 110.308 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.556 ' HB2' ' CD2' ' A' ' 5' ' ' PHE . 15.2 tptp -166.64 108.93 0.71 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.573 1.171 . . . . 65.409999999999997 109.185 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.762 ' OH ' HD11 ' A' ' 44' ' ' ILE . 30.9 m-85 -140.13 121.72 15.22 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.115 . . . . 72.340000000000003 110.927 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 6.8 tp -105.55 77.33 1.27 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.12 . . . . 74.329999999999998 109.34 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.745 HG12 ' HA ' ' B' ' 630' ' ' ALA . 19.7 m -75.33 150.07 84.78 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.573 1.171 . . . . 63.399999999999999 109.308 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' PRO . . . . . 0.404 ' HA ' ' HD3' ' A' ' 28' ' ' ARG . 18.2 Cg_endo -75.0 -177.6 3.58 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.453 1.765 . . . . 72.439999999999998 110.963 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -94.63 18.8 10.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 72.450000000000003 109.304 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -119.59 -39.0 2.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.545 1.153 . . . . 72.409999999999997 109.31 179.897 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.863 HD13 ' N ' ' A' ' 56' ' ' THR . 1.2 tm? -52.93 164.52 0.38 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 73.349999999999994 109.316 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.863 ' N ' HD13 ' A' ' 55' ' ' LEU . 0.2 OUTLIER -133.13 179.2 6.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.427 1.079 . . . . 33.539999999999999 110.434 179.973 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 2.8 t -67.33 -59.58 3.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 60.439999999999998 109.279 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -55.28 -16.94 10.3 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.59 1.181 . . . . 73.230000000000004 111.001 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' GLN . . . . . 0.553 ' HB3' HD21 ' A' ' 55' ' ' LEU . 37.7 mt-30 -99.15 -29.47 12.83 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.58 0.812 . . . . 74.530000000000001 110.363 179.883 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.572 ' HE2' HG11 ' A' ' 107' ' ' VAL . 14.0 t80 -69.57 -38.37 77.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.146 . . . . 73.030000000000001 110.956 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.596 HG22 ' CG1' ' A' ' 78' ' ' ILE . 84.6 t -56.75 -44.31 81.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.529 1.143 . . . . 73.010000000000005 109.302 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.571 ' CD1' ' O ' ' A' ' 62' ' ' TYR . 0.0 OUTLIER -47.33 -26.19 1.2 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.513 1.133 . . . . 74.540000000000006 111.001 180.0 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.96 HG21 ' C ' ' B' ' 630' ' ' ALA . 78.2 t -82.98 -43.28 18.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 65.319999999999993 109.358 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.516 HG21 ' CG ' ' A' ' 109' ' ' TYR . 11.6 mm -63.92 -30.37 49.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.444 1.09 . . . . 74.049999999999997 109.363 179.89 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 8.9 tpp85 -80.87 -3.12 50.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.145 . . . . 63.25 110.269 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 2.2 mttm -91.18 -52.34 4.87 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.132 . . . . 71.450000000000003 109.304 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' ARG . . . . . 0.401 ' HG3' ' OH ' ' A' ' 49' ' ' TYR . 5.1 mmp_? -47.78 -70.48 0.09 Allowed 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.529 1.143 . . . . 74.150000000000006 110.264 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.49 ' O ' ' CG ' ' A' ' 69' ' ' MET . 4.9 pt -69.92 -7.83 9.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.433 1.083 . . . . 74.209999999999994 109.244 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' MET . . . . . 0.49 ' CG ' ' O ' ' A' ' 68' ' ' ILE . 3.0 ptt? 43.31 40.41 2.55 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.475 1.109 . . . . 64.340000000000003 110.955 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.504 HD12 ' HA ' ' A' ' 70' ' ' LEU . 4.7 tp -50.96 140.73 20.08 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.546 1.154 . . . . 62.43 109.257 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 171.15 18.88 Favored 'Trans proline' 0 C--N 1.362 1.271 0 O-C-N 124.474 1.776 . . . . 75.310000000000002 110.983 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -75.03 0.26 9.14 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.5 1.79 . . . . 73.310000000000002 110.94 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -94.65 8.38 42.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.154 . . . . 75.109999999999999 110.3 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -130.6 -179.19 5.14 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.515 1.134 . . . . 74.239999999999995 109.301 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -140.02 163.08 33.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 54.009999999999998 109.307 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.703 HD11 ' CD2' ' A' ' 109' ' ' TYR . 2.3 tt -150.69 137.12 12.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.427 1.079 . . . . 71.129999999999995 109.276 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 79.9 m-85 -136.79 139.47 41.81 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.435 1.084 . . . . 70.230000000000004 110.95 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.6 ' CG2' ' CG2' ' A' ' 107' ' ' VAL . 5.7 mm -84.62 155.26 3.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.534 1.146 . . . . 70.040000000000006 109.292 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 79' ' ' PHE . . . . . 0.401 ' CZ ' ' CD1' ' A' ' 84' ' ' LEU . 5.7 m-85 -145.72 128.27 16.06 Favored 'General case' 0 C--N 1.323 -0.569 0 O-C-N 124.58 1.175 . . . . 63.119999999999997 111.065 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.751 ' O ' HG22 ' A' ' 83' ' ' THR . 2.4 t -131.78 105.4 9.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.123 . . . . 75.209999999999994 109.401 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 81' ' ' ASN . . . . . 0.461 ' O ' ' CB ' ' A' ' 82' ' ' ASP . 3.1 m120 72.32 24.22 3.08 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.12 . . . . 74.420000000000002 109.292 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 82' ' ' ASP . . . . . 0.461 ' CB ' ' O ' ' A' ' 81' ' ' ASN . 4.3 m-20 78.85 18.09 0.92 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 75.129999999999995 109.349 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 83' ' ' THR . . . . . 0.751 HG22 ' O ' ' A' ' 80' ' ' VAL . 1.0 OUTLIER -120.25 143.16 48.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 74.25 110.419 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.401 ' CD1' ' CZ ' ' A' ' 79' ' ' PHE . 0.2 OUTLIER -100.56 108.46 53.41 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.455 1.097 . . . . 64.219999999999999 109.315 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.13 162.25 37.09 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.493 1.786 . . . . 73.140000000000001 110.946 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 86' ' ' PRO . . . . . 0.741 ' HD2' ' HB2' ' A' ' 89' ' ' ALA . 18.4 Cg_endo -74.95 -163.83 0.2 Allowed 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.483 1.781 . . . . 70.439999999999998 110.996 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 3.7 p -96.7 -31.75 12.53 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.522 1.139 . . . . 62.409999999999997 110.41 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -86.03 10.39 14.35 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.528 1.142 . . . . 71.439999999999998 109.372 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 1.03 ' HB1' HD11 ' A' ' 94' ' ' ILE . . . -75.89 60.73 1.39 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.528 1.142 . . . . 73.430000000000007 109.238 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.507 ' C ' ' O ' ' A' ' 89' ' ' ALA . 0.4 OUTLIER -31.74 117.37 0.2 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 71.209999999999994 109.308 179.869 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 91' ' ' MET . . . . . 0.425 ' C ' ' O ' ' A' ' 90' ' ' LEU . 55.9 mmm -36.06 -32.02 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.398 1.061 . . . . 71.209999999999994 110.989 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 92' ' ' SER . . . . . 0.544 ' HA ' HD12 ' A' ' 29' ' ' ILE . 6.0 p -62.61 -54.95 31.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 61.219999999999999 110.016 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 93' ' ' ALA . . . . . 0.438 ' N ' ' O ' ' A' ' 90' ' ' LEU . . . -66.17 -10.95 46.19 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.605 1.191 . . . . 70.439999999999998 109.298 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 1.03 HD11 ' HB1' ' A' ' 89' ' ' ALA . 30.5 mm -90.92 -39.09 11.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 O-C-N 124.505 1.128 . . . . 61.530000000000001 109.323 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 95' ' ' TYR . . . . . 0.762 ' CD2' HD23 ' A' ' 105' ' ' LEU . 9.6 t80 -79.91 -5.99 56.62 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.629 1.205 . . . . 52.140000000000001 111.021 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 96' ' ' GLN . . . . . 0.436 ' O ' ' CG ' ' A' ' 96' ' ' GLN . 3.3 tp-100 -100.25 -10.53 21.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.14 . . . . 73.329999999999998 110.343 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -120.27 -8.27 9.69 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.469 1.106 . . . . 70.129999999999995 110.319 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 98' ' ' HIS . . . . . 0.629 ' HB2' HD11 ' A' ' 105' ' ' LEU . 32.6 m170 -126.36 16.21 7.71 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.563 1.164 . . . . 62.030000000000001 109.639 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.506 ' HB3' ' O ' ' A' ' 95' ' ' TYR . 0.1 OUTLIER -58.37 153.41 15.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.603 1.189 . . . . 60.420000000000002 109.302 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -120.29 177.02 5.18 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.46 1.1 . . . . 64.510000000000005 109.308 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 19.3 mtpt -61.79 -27.74 68.97 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.414 1.071 . . . . 74.239999999999995 109.357 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 102' ' ' ASP . . . . . 0.436 ' HB3' ' CE2' ' A' ' 11' ' ' PHE . 0.6 OUTLIER -89.67 -14.01 35.73 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 52.350000000000001 109.376 179.971 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 103' ' ' GLY . . . . . 0.544 ' O ' ' CZ ' ' A' ' 95' ' ' TYR . . . 91.18 -38.33 3.23 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.5 1.125 . . . . 42.140000000000001 111.095 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 104' ' ' PHE . . . . . 0.509 ' CD1' ' HB2' ' A' ' 30' ' ' PRO . 10.1 m-85 -57.89 135.25 56.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.458 0.74 . . . . 73.230000000000004 110.967 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.762 HD23 ' CD2' ' A' ' 95' ' ' TYR . 0.3 OUTLIER -82.0 145.91 30.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.102 . . . . 74.420000000000002 109.343 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 106' ' ' TYR . . . . . 0.469 ' CZ ' ' NH2' ' A' ' 14' ' ' ARG . 68.7 m-85 -121.4 92.39 3.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.105 . . . . 64.400000000000006 110.986 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 107' ' ' VAL . . . . . 0.62 HG13 ' HA ' ' A' ' 33' ' ' CYS . 12.8 p -103.56 167.54 2.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.15 . . . . 71.319999999999993 109.351 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 108' ' ' THR . . . . . 0.471 ' N ' HG22 ' A' ' 107' ' ' VAL . 0.2 OUTLIER -150.17 153.74 36.83 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.393 1.058 . . . . 74.209999999999994 110.432 179.964 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 109' ' ' TYR . . . . . 0.703 ' CD2' HD11 ' A' ' 76' ' ' ILE . 32.0 p90 -132.94 136.18 45.97 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.49 1.119 . . . . 63.539999999999999 110.993 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 45.8 t -137.26 153.73 50.28 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.49 1.119 . . . . 73.5 109.986 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -79.11 3.48 65.68 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.488 1.117 . . . . 54.340000000000003 111.022 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -123.99 131.66 53.59 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.553 0.796 . . . . 65.25 110.349 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 12.1 t-20 . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.572 1.17 . . . . 71.129999999999995 109.467 179.869 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 629' ' ' ILE . . . . . 0.489 ' C ' HD12 ' B' ' 629' ' ' ILE . 0.7 OUTLIER . . . . . 0 N--CA 1.454 -0.264 0 N-CA-C 109.285 -0.635 . . . . 61.409999999999997 109.285 . . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 630' ' ' ALA . . . . . 0.96 ' C ' HG21 ' A' ' 63' ' ' VAL . . . . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.567 1.167 . . . . 73.25 109.384 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.835 HG23 HH21 ' A' ' 47' ' ' ARG . 70.8 p . . . . . 0 N--CA 1.452 -0.35 0 N-CA-C 110.468 -0.197 . . . . 74.439999999999998 110.468 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' PHE . . . . . 0.621 ' CZ ' ' OH ' ' A' ' 9' ' ' TYR . 1.6 t80 -49.21 -28.65 4.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 75.109999999999999 110.99 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.524 ' HD3' HG21 ' A' ' 32' ' ' ILE . 21.6 mtmm -93.68 -23.59 18.18 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.556 1.16 . . . . 72.109999999999999 109.318 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 7' ' ' SER . . . . . 0.411 ' N ' ' O ' ' A' ' 4' ' ' THR . 0.3 OUTLIER -76.36 -12.56 60.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.142 . . . . 63.350000000000001 109.992 179.984 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 8' ' ' GLU . . . . . 0.612 ' HB3' ' CD1' ' A' ' 9' ' ' TYR . 0.0 OUTLIER -73.4 -50.47 21.67 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.563 1.164 . . . . 75.049999999999997 110.252 -179.929 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 9' ' ' TYR . . . . . 0.621 ' OH ' ' CZ ' ' A' ' 5' ' ' PHE . 0.2 OUTLIER -125.52 169.52 11.17 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 62.130000000000003 110.951 -179.928 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 175.91 10.6 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.586 1.835 . . . . 44.439999999999998 110.96 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.564 ' CE2' ' HB3' ' A' ' 102' ' ' ASP . 1.7 t80 -63.38 -43.98 96.04 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.526 1.141 . . . . 73.120000000000005 111.025 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 20.2 mt-10 -49.46 -22.64 1.25 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.489 1.118 . . . . 72.25 110.297 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.89 -36.29 36.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 72.310000000000002 109.315 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 1.055 HH21 HD11 ' A' ' 32' ' ' ILE . 0.1 OUTLIER -71.1 -54.77 9.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.144 . . . . 72.400000000000006 110.274 -179.931 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.419 ' HD3' ' CE1' ' A' ' 11' ' ' PHE . 16.8 pttt -53.4 -42.47 67.01 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.554 1.158 . . . . 63.020000000000003 109.359 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.407 ' N ' ' HG2' ' A' ' 15' ' ' LYS . . . -61.67 -35.34 77.68 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.538 1.149 . . . . 52.130000000000003 109.322 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.447 ' OE1' ' NH1' ' A' ' 14' ' ' ARG . 26.2 tt0 -68.21 -54.29 18.8 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.46 1.1 . . . . 64.25 110.318 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.416 ' HB3' ' CE2' ' A' ' 104' ' ' PHE . 11.2 p -59.41 -16.11 21.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 73.400000000000006 109.969 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 16.4 mm-40 -79.78 -23.92 41.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.421 1.076 . . . . 72.310000000000002 110.277 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.415 ' HG3' ' N ' ' A' ' 21' ' ' ILE . 11.4 ptt180 -101.75 -23.87 14.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 74.030000000000001 110.288 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.433 HD11 ' OE2' ' A' ' 17' ' ' GLU . 5.5 mt -63.71 -18.04 21.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.555 1.159 . . . . 70.129999999999995 109.327 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -74.89 -15.21 60.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.112 . . . . 53.32 109.319 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -105.79 -24.94 12.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.551 1.157 . . . . 74.040000000000006 109.276 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.542 ' HB3' ' CE2' ' A' ' 25' ' ' PHE . 30.1 mmm-85 -83.6 -52.58 6.34 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.556 1.16 . . . . 72.200000000000003 110.304 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.542 ' CE2' ' HB3' ' A' ' 24' ' ' ARG . 12.0 m-85 -145.34 86.06 7.69 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.149 . . . . 64.319999999999993 111.006 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.86 -26.67 11.0 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.457 1.767 . . . . 74.200000000000003 110.996 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 84.5 m-20 -92.33 41.58 1.08 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.132 . . . . 72.439999999999998 109.288 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.483 ' O ' HD13 ' A' ' 29' ' ' ILE . 1.7 mmt85 -131.22 -178.11 4.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.543 1.152 . . . . 75.129999999999995 110.304 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.483 HD13 ' O ' ' A' ' 28' ' ' ARG . 21.3 mm -141.81 102.1 5.88 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 73.209999999999994 109.272 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.593 ' HD2' ' CE2' ' A' ' 95' ' ' TYR . 18.3 Cg_endo -75.0 126.3 9.88 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.639 1.863 . . . . 64.019999999999996 110.985 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.895 ' O ' HD13 ' A' ' 32' ' ' ILE . 0.8 OUTLIER -141.42 173.37 8.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.574 1.171 . . . . 75.340000000000003 109.349 179.897 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 1.055 HD11 HH21 ' A' ' 14' ' ' ARG . 4.5 mm -142.16 111.68 2.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.576 1.173 . . . . 65.239999999999995 109.264 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.534 ' HA ' HG13 ' A' ' 107' ' ' VAL . 1.0 OUTLIER -82.44 129.59 34.93 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.534 1.146 . . . . 43.200000000000003 108.227 -179.96 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.75 ' HB3' HG23 ' A' ' 108' ' ' THR . 0.3 OUTLIER -124.82 149.64 47.23 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.485 1.116 . . . . 74.129999999999995 110.309 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.449 ' NZ ' ' O ' ' A' ' 39' ' ' SER . 7.9 tptt -91.34 124.4 35.51 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.518 1.136 . . . . 74.109999999999999 109.387 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.465 ' CB ' ' HB3' ' A' ' 110' ' ' SER . . . -59.38 169.48 1.21 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.449 1.093 . . . . 61.539999999999999 109.288 -179.907 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.44 ' CG ' ' N ' ' A' ' 38' ' ' LYS . 11.8 pt-20 -96.93 -48.88 5.25 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.435 1.085 . . . . 72.099999999999994 110.39 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.44 ' N ' ' CG ' ' A' ' 37' ' ' GLU . 0.1 OUTLIER -53.16 -46.82 69.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.142 . . . . 70.129999999999995 109.254 179.963 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.449 ' O ' ' NZ ' ' A' ' 35' ' ' LYS . 0.3 OUTLIER -59.5 158.98 8.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.575 1.172 . . . . 61.219999999999999 110.019 -179.968 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -122.93 34.29 5.18 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.47 1.106 . . . . 65.120000000000005 109.33 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.619 HD11 ' CE2' ' A' ' 109' ' ' TYR . 0.0 OUTLIER -83.54 167.38 28.94 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.5 1.125 . . . . 75.430000000000007 109.273 -179.979 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 42' ' ' PRO . . . . . 0.59 ' O ' HG21 ' A' ' 68' ' ' ILE . 18.5 Cg_endo -74.95 115.0 4.16 Favored 'Trans proline' 0 C--N 1.358 1.064 0 O-C-N 124.465 1.771 . . . . 64.400000000000006 110.957 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -56.27 140.85 43.48 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.452 1.095 . . . . 74.430000000000007 110.271 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.628 HD11 ' HG3' ' A' ' 67' ' ' ARG . 12.2 tt -68.36 158.54 5.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 73.530000000000001 109.305 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 32.8 m-20 -61.06 -46.36 91.01 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.54 1.15 . . . . 74.129999999999995 109.293 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.403 ' HD2' ' O ' ' A' ' 46' ' ' LYS . 0.0 OUTLIER -147.83 167.75 23.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 72.310000000000002 109.372 179.911 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.835 HH21 HG23 ' A' ' 4' ' ' THR . 2.7 ptp180 -116.64 93.85 4.37 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.536 1.147 . . . . 73.310000000000002 110.248 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.562 ' HB2' ' CD2' ' A' ' 5' ' ' PHE . 12.8 tptp -166.23 93.48 0.52 Allowed 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.56 1.163 . . . . 65.409999999999997 109.188 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.678 ' HE2' HG12 ' A' ' 63' ' ' VAL . 20.2 m-85 -116.84 124.31 49.22 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.514 1.134 . . . . 72.340000000000003 110.997 179.904 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.417 ' HA ' HD13 ' A' ' 50' ' ' LEU . 0.0 OUTLIER -109.4 76.88 1.02 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 74.329999999999998 109.204 -179.909 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.924 HG21 ' SD ' ' A' ' 91' ' ' MET . 5.7 m -76.64 145.49 75.16 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.494 1.121 . . . . 63.399999999999999 109.262 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.9 -177.66 3.6 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.538 1.809 . . . . 72.439999999999998 111.027 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -92.02 18.7 7.59 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.513 1.133 . . . . 72.450000000000003 109.262 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.79 ' O ' HD11 ' A' ' 90' ' ' LEU . 21.9 t0 -118.89 -37.8 3.18 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.461 1.101 . . . . 72.409999999999997 109.29 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 1.038 HD23 ' HB1' ' B' ' 630' ' ' ALA . 0.0 OUTLIER -59.98 132.13 53.0 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.46 1.1 . . . . 73.349999999999994 109.242 -179.949 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.603 ' N ' HD12 ' A' ' 55' ' ' LEU . 9.1 p -92.79 -161.39 0.83 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.152 . . . . 33.539999999999999 110.387 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 2.9 t -86.76 -59.46 2.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 60.439999999999998 109.314 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -59.63 -13.91 26.33 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.478 1.111 . . . . 73.230000000000004 110.964 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' GLN . . . . . 0.504 ' CB ' ' CD1' ' A' ' 55' ' ' LEU . 31.7 mt-30 -97.07 -27.39 14.61 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.485 0.756 . . . . 74.530000000000001 110.302 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.687 ' CD1' HG11 ' A' ' 51' ' ' VAL . 68.4 t80 -70.18 -41.03 74.28 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.44 1.087 . . . . 73.030000000000001 111.053 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.663 HG13 ' CG2' ' A' ' 76' ' ' ILE . 65.7 t -48.73 -47.23 15.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 O-C-N 124.571 1.17 . . . . 73.010000000000005 109.31 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.509 ' C ' ' CD1' ' A' ' 62' ' ' TYR . 0.1 OUTLIER -44.19 -33.71 1.62 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.531 1.145 . . . . 74.540000000000006 110.923 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.995 HG21 ' C ' ' B' ' 630' ' ' ALA . 88.9 t -73.83 -40.25 53.1 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 O-C-N 124.541 1.15 . . . . 65.319999999999993 109.286 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.559 HD11 ' CZ ' ' A' ' 60' ' ' PHE . 14.2 mm -67.31 -31.85 54.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.553 1.158 . . . . 74.049999999999997 109.322 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 5.5 tpp85 -80.43 -3.49 50.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 63.25 110.277 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -89.9 -50.83 5.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.152 . . . . 71.450000000000003 109.31 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' ARG . . . . . 0.628 ' HG3' HD11 ' A' ' 44' ' ' ILE . 6.9 mmp_? -50.41 -65.68 0.52 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.449 1.093 . . . . 74.150000000000006 110.288 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.59 HG21 ' O ' ' A' ' 42' ' ' PRO . 5.6 pt -75.06 -3.3 4.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 74.209999999999994 109.215 -179.907 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' MET . . . . . 0.492 ' CG ' ' O ' ' A' ' 68' ' ' ILE . 10.6 ptp 43.47 38.41 1.79 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.434 1.083 . . . . 64.340000000000003 111.018 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.522 HD12 ' HA ' ' A' ' 70' ' ' LEU . 5.1 tp -50.97 140.97 19.63 Favored Pre-proline 0 C--N 1.324 -0.526 0 O-C-N 124.513 1.133 . . . . 62.43 109.265 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' ' 70' ' ' LEU . 18.0 Cg_endo -75.11 169.49 22.46 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.527 1.804 . . . . 75.310000000000002 111.005 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 -0.05 9.48 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.553 1.817 . . . . 73.310000000000002 111.054 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -91.69 -19.39 22.69 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.465 1.103 . . . . 75.109999999999999 110.246 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.498 ' NZ ' HD11 ' A' ' 70' ' ' LEU . 1.2 mttp -99.27 -178.96 4.08 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.627 1.204 . . . . 74.239999999999995 109.316 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -138.44 163.54 31.66 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.146 . . . . 54.009999999999998 109.337 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.663 ' CG2' HG13 ' A' ' 61' ' ' VAL . 1.6 tt -156.84 115.21 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.423 1.077 . . . . 71.129999999999995 109.342 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 77.1 m-85 -114.22 141.81 47.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.541 1.151 . . . . 70.230000000000004 110.991 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.601 ' CG1' HG22 ' A' ' 61' ' ' VAL . 2.5 mm -84.88 156.86 3.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.446 1.091 . . . . 70.040000000000006 109.33 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -149.34 128.51 12.81 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.102 . . . . 63.119999999999997 111.044 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.568 ' O ' HG22 ' A' ' 83' ' ' THR . 2.6 t -133.13 119.62 36.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.476 1.11 . . . . 75.209999999999994 109.322 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 81' ' ' ASN . . . . . 0.481 ' O ' ' CB ' ' A' ' 82' ' ' ASP . 2.6 m120 62.4 20.32 11.77 Favored 'General case' 0 C--N 1.327 -0.408 0 O-C-N 124.503 1.127 . . . . 74.420000000000002 109.324 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 82' ' ' ASP . . . . . 0.481 ' CB ' ' O ' ' A' ' 81' ' ' ASN . 4.3 t70 80.48 23.18 0.39 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 75.129999999999995 109.245 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 83' ' ' THR . . . . . 0.568 HG22 ' O ' ' A' ' 80' ' ' VAL . 0.7 OUTLIER -130.97 137.23 49.15 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.534 1.146 . . . . 74.25 110.436 179.944 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.493 ' CD1' ' O ' ' A' ' 78' ' ' ILE . 0.2 OUTLIER -91.58 112.42 54.29 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.55 1.157 . . . . 64.219999999999999 109.332 -179.989 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.09 162.6 36.64 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.432 1.754 . . . . 73.140000000000001 110.943 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 86' ' ' PRO . . . . . 0.748 ' HD2' ' HB2' ' A' ' 89' ' ' ALA . 18.5 Cg_endo -74.9 -176.68 2.98 Favored 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.544 1.813 . . . . 70.439999999999998 111.1 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 2.2 p -84.52 -32.41 23.92 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.464 1.103 . . . . 62.409999999999997 110.381 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -85.02 9.87 13.46 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.47 1.106 . . . . 71.439999999999998 109.322 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 1.053 ' HB1' HD11 ' A' ' 94' ' ' ILE . . . -76.0 60.66 1.43 Allowed 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.484 1.115 . . . . 73.430000000000007 109.28 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.79 HD11 ' O ' ' A' ' 54' ' ' ASP . 0.0 OUTLIER -30.41 118.66 0.17 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 71.209999999999994 109.306 180.0 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 91' ' ' MET . . . . . 0.924 ' SD ' HG21 ' A' ' 51' ' ' VAL . 0.3 OUTLIER -39.45 -27.95 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 71.209999999999994 110.999 -179.979 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 92' ' ' SER . . . . . 0.449 ' N ' ' O ' ' A' ' 90' ' ' LEU . 2.8 t -67.42 -57.05 7.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 61.219999999999999 110.03 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -62.75 -13.22 30.19 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.54 1.15 . . . . 70.439999999999998 109.302 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 1.053 HD11 ' HB1' ' A' ' 89' ' ' ALA . 34.9 mm -87.61 -42.35 15.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.447 1.092 . . . . 61.530000000000001 109.298 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 95' ' ' TYR . . . . . 0.855 ' CD2' HD23 ' A' ' 105' ' ' LEU . 10.0 t80 -77.41 -5.19 48.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 52.140000000000001 110.959 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 96' ' ' GLN . . . . . 0.455 ' O ' ' CG ' ' A' ' 96' ' ' GLN . 1.7 tt0 -102.47 -9.94 19.81 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.536 1.148 . . . . 73.329999999999998 110.299 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -120.44 -7.26 9.74 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.557 1.161 . . . . 70.129999999999995 110.382 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 98' ' ' HIS . . . . . 0.451 ' HB2' HD11 ' A' ' 105' ' ' LEU . 32.6 m170 -128.76 17.56 6.29 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.486 1.116 . . . . 62.030000000000001 109.613 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.488 ' HB3' ' O ' ' A' ' 95' ' ' TYR . 0.1 OUTLIER -59.74 155.77 15.29 Favored 'General case' 0 C--N 1.326 -0.413 0 O-C-N 124.453 1.096 . . . . 60.420000000000002 109.248 -179.946 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -128.53 177.05 7.28 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.409 1.068 . . . . 64.510000000000005 109.29 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 24.1 mtmm -57.16 -49.63 75.37 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 74.239999999999995 109.354 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 102' ' ' ASP . . . . . 0.564 ' HB3' ' CE2' ' A' ' 11' ' ' PHE . 0.2 OUTLIER -62.34 -14.42 39.44 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.456 1.097 . . . . 52.350000000000001 109.249 179.985 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 103' ' ' GLY . . . . . 0.403 ' O ' ' CZ ' ' A' ' 95' ' ' TYR . . . 87.25 -39.25 3.11 Favored Glycine 0 CA--C 1.532 1.109 0 O-C-N 124.514 1.134 . . . . 42.140000000000001 110.98 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 104' ' ' PHE . . . . . 0.677 ' CE1' ' NH2' ' A' ' 14' ' ' ARG . 23.8 m-85 -62.23 145.82 52.54 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.564 0.802 . . . . 73.230000000000004 110.942 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.855 HD23 ' CD2' ' A' ' 95' ' ' TYR . 0.2 OUTLIER -84.62 147.13 27.13 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.407 1.067 . . . . 74.420000000000002 109.271 -179.958 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 50.4 m-85 -121.94 91.9 3.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 64.400000000000006 111.015 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 107' ' ' VAL . . . . . 0.553 HG22 ' N ' ' A' ' 108' ' ' THR . 8.1 p -98.59 169.72 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.521 1.138 . . . . 71.319999999999993 109.345 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 108' ' ' THR . . . . . 0.75 HG23 ' HB3' ' A' ' 34' ' ' GLU . 0.2 OUTLIER -148.18 134.95 19.98 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.428 1.08 . . . . 74.209999999999994 110.4 -179.905 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 109' ' ' TYR . . . . . 0.619 ' CE2' HD11 ' A' ' 41' ' ' ILE . 27.8 p90 -119.8 129.74 54.59 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.586 1.179 . . . . 63.539999999999999 110.991 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 110' ' ' SER . . . . . 0.465 ' HB3' ' CB ' ' A' ' 36' ' ' ALA . 25.4 p -128.89 142.21 51.03 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.483 1.114 . . . . 73.5 110.024 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 111' ' ' GLY . . . . . 0.438 ' N ' HG21 ' A' ' 41' ' ' ILE . . . -63.81 -11.6 44.12 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.511 1.132 . . . . 54.340000000000003 110.998 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 20.6 pt-20 -111.54 161.88 15.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 0.766 . . . . 65.25 110.303 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 49.9 t30 . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.132 . . . . 71.129999999999995 109.292 -179.983 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 629' ' ' ILE . . . . . . . . . . . . . 1.1 pp . . . . . 0 N--CA 1.454 -0.262 0 N-CA-C 109.327 -0.62 . . . . 61.409999999999997 109.327 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 630' ' ' ALA . . . . . 1.038 ' HB1' HD23 ' A' ' 55' ' ' LEU . . . . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 73.25 109.268 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 0' ' ' HIS . . . . . . . . . . . . . 48.3 p-80 . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 109.553 -0.536 . . . . 72.510000000000005 109.553 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.2 ptm -70.19 -168.99 0.25 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 71.219999999999999 111.041 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.92 -54.89 1.5 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 64.099999999999994 109.272 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 43.9 t -88.2 150.58 23.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.549 1.155 . . . . 61.210000000000001 110.002 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.2 p -129.65 -80.23 0.56 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.493 1.121 . . . . 74.439999999999998 110.455 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.666 ' CE2' ' CD2' ' B' ' 614' ' ' LEU . 8.6 t80 -59.4 -22.85 62.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 75.109999999999999 111.047 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 8.6 tmtt? -100.63 -11.88 19.66 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 72.109999999999999 109.283 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 16.5 t -88.81 -31.36 18.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.444 1.09 . . . . 63.350000000000001 110.01 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.542 ' HB3' ' CD1' ' A' ' 9' ' ' TYR . 51.5 tt0 -45.46 -49.39 13.5 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.444 1.09 . . . . 75.049999999999997 110.342 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.617 ' OH ' ' CE1' ' A' ' 5' ' ' PHE . 0.2 OUTLIER -122.47 168.99 10.45 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.11 . . . . 62.130000000000003 110.971 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -179.52 5.07 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.443 1.76 . . . . 44.439999999999998 110.952 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.486 ' CE2' ' HB3' ' A' ' 102' ' ' ASP . 5.3 t80 -65.14 -54.16 33.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 73.120000000000005 110.987 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -43.96 -26.51 0.28 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.474 1.109 . . . . 72.25 110.266 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.404 ' NZ ' ' HB2' ' A' ' 13' ' ' LYS . 0.0 OUTLIER -70.72 -46.23 63.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 72.310000000000002 109.28 -179.955 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.721 ' NH1' HD11 ' A' ' 32' ' ' ILE . 0.0 OUTLIER -63.0 -56.99 12.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.151 . . . . 72.400000000000006 110.309 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 2.1 pttt -47.83 -39.98 19.97 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.47 1.106 . . . . 63.020000000000003 109.282 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -67.89 -33.9 75.61 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.532 1.145 . . . . 52.130000000000003 109.308 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.534 ' OE1' HG21 ' B' ' 618' ' ' VAL . 19.0 tp10 -67.16 -49.48 64.6 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.12 . . . . 64.25 110.334 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 81.1 p -63.38 -23.72 67.53 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.109 . . . . 73.400000000000006 109.998 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -67.99 -22.96 64.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.435 1.085 . . . . 72.310000000000002 110.268 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 37.9 mtp180 -100.94 -36.73 8.93 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.472 1.107 . . . . 74.030000000000001 110.374 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.553 HD12 ' HZ ' ' A' ' 104' ' ' PHE . 7.9 mt -61.04 -17.31 15.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.576 1.172 . . . . 70.129999999999995 109.32 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -79.06 -23.0 44.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 53.32 109.338 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -101.11 -5.52 25.58 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.443 1.09 . . . . 74.040000000000006 109.227 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.571 ' HB3' ' CD2' ' A' ' 25' ' ' PHE . 11.3 mtp180 -101.93 -59.01 1.77 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 72.200000000000003 110.3 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.571 ' CD2' ' HB3' ' A' ' 24' ' ' ARG . 46.7 m-85 -131.98 89.88 37.13 Favored Pre-proline 0 C--N 1.324 -0.527 0 O-C-N 124.506 1.129 . . . . 64.319999999999993 111.014 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -27.59 9.84 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.462 1.769 . . . . 74.200000000000003 111.008 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 92.3 m-20 -93.53 41.27 1.08 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 72.439999999999998 109.311 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.453 ' CG ' ' HB3' ' A' ' 25' ' ' PHE . 1.5 mmt-85 -128.76 169.27 14.72 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.509 1.131 . . . . 75.129999999999995 110.293 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.522 HG23 ' CB ' ' A' ' 95' ' ' TYR . 34.5 mm -134.48 96.48 15.27 Favored Pre-proline 0 C--N 1.324 -0.543 0 O-C-N 124.497 1.123 . . . . 73.209999999999994 109.357 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.594 ' HD2' ' CE2' ' A' ' 95' ' ' TYR . 18.3 Cg_endo -74.96 122.98 7.57 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.485 1.781 . . . . 64.019999999999996 110.968 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.468 HG13 HG22 ' A' ' 51' ' ' VAL . 0.8 OUTLIER -137.36 173.47 13.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.457 1.098 . . . . 75.340000000000003 109.358 179.962 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.721 HD11 ' NH1' ' A' ' 14' ' ' ARG . 7.5 mm -137.28 108.78 6.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.569 1.168 . . . . 65.239999999999995 109.312 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.551 ' HA ' HG13 ' A' ' 107' ' ' VAL . 2.7 t -78.81 133.19 37.07 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.561 1.163 . . . . 43.200000000000003 108.262 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.944 ' HB3' HG23 ' A' ' 108' ' ' THR . 4.9 tm-20 -138.23 161.46 36.82 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 74.129999999999995 110.37 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.566 ' HZ3' ' CA ' ' A' ' 43' ' ' GLU . 0.0 OUTLIER -115.96 127.75 55.21 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.436 1.085 . . . . 74.109999999999999 109.276 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -59.58 156.11 14.12 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.558 1.161 . . . . 61.539999999999999 109.376 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.423 ' CG ' ' N ' ' A' ' 38' ' ' LYS . 12.6 pt-20 -77.38 -48.56 16.97 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.134 . . . . 72.099999999999994 110.312 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.423 ' N ' ' CG ' ' A' ' 37' ' ' GLU . 33.1 mttp -53.11 -40.18 63.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 70.129999999999995 109.312 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.4 ' O ' ' O ' ' A' ' 38' ' ' LYS . 6.5 t -41.18 161.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 61.219999999999999 109.992 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 71.5 m-20 -118.24 -4.74 10.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 65.120000000000005 109.311 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.548 HD11 ' CE2' ' A' ' 109' ' ' TYR . 0.1 OUTLIER -75.39 166.84 42.04 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.517 1.136 . . . . 75.430000000000007 109.23 -179.928 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 131.08 13.81 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.553 1.817 . . . . 64.400000000000006 111.032 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.566 ' CA ' ' HZ3' ' A' ' 35' ' ' LYS . 30.8 tt0 -69.45 146.98 51.55 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.516 1.135 . . . . 74.430000000000007 110.313 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.515 ' CD1' ' OH ' ' A' ' 49' ' ' TYR . 14.2 tt -64.4 171.54 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.577 1.173 . . . . 73.530000000000001 109.31 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -79.1 -41.12 29.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.537 1.148 . . . . 74.129999999999995 109.262 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.422 ' C ' ' CD ' ' A' ' 46' ' ' LYS . 0.0 OUTLIER -153.71 159.51 42.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 72.310000000000002 109.313 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.571 ' HB3' HG22 ' A' ' 32' ' ' ILE . 7.0 mtp180 -105.13 95.56 5.93 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.453 1.095 . . . . 73.310000000000002 110.289 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.528 ' HD3' ' CZ ' ' A' ' 5' ' ' PHE . 2.1 tptt -165.44 105.92 0.75 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.116 . . . . 65.409999999999997 109.274 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.613 ' HE2' HG12 ' A' ' 63' ' ' VAL . 15.4 m-85 -135.18 116.93 15.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 72.340000000000003 110.963 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.555 HD13 ' OD1' ' B' ' 624' ' ' ASP . 0.3 OUTLIER -104.08 77.88 1.47 Allowed 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.503 1.127 . . . . 74.329999999999998 109.296 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.664 HG11 ' HD1' ' A' ' 60' ' ' PHE . 14.0 m -77.8 150.7 78.92 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.591 1.182 . . . . 63.399999999999999 109.312 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.01 -179.46 5.01 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.492 1.785 . . . . 72.439999999999998 111.02 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -93.77 17.9 11.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.146 . . . . 72.450000000000003 109.392 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -118.81 -38.19 3.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.545 1.153 . . . . 72.409999999999997 109.276 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.427 ' HG ' ' CB ' ' A' ' 59' ' ' GLN . 1.1 tp -58.38 135.79 57.29 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.484 1.115 . . . . 73.349999999999994 109.297 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 1.2 p -93.75 -173.45 3.16 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.144 . . . . 33.539999999999999 110.347 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 2.4 t -72.69 -49.83 38.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.527 1.142 . . . . 60.439999999999998 109.29 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -65.25 -9.61 43.25 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.502 1.126 . . . . 73.230000000000004 111.001 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.427 ' CB ' ' HG ' ' A' ' 55' ' ' LEU . 7.8 mt-30 -95.94 -26.55 15.54 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.458 0.74 . . . . 74.530000000000001 110.317 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.664 ' HD1' HG11 ' A' ' 51' ' ' VAL . 77.1 t80 -71.42 -50.22 34.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 73.030000000000001 111.002 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.746 HG22 ' CG1' ' A' ' 78' ' ' ILE . 59.7 t -40.57 -49.82 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 73.010000000000005 109.303 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -44.2 -44.12 7.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 74.540000000000006 111.042 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.748 HG21 ' HA ' ' B' ' 630' ' ' ALA . 57.1 t -61.76 -36.63 74.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.13 . . . . 65.319999999999993 109.298 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.61 ' N ' HD13 ' A' ' 64' ' ' ILE . 2.5 mm -71.61 -40.12 70.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.41 1.068 . . . . 74.049999999999997 109.301 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 5.5 tpp85 -70.59 -5.36 28.65 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.503 1.127 . . . . 63.25 110.339 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 3.0 mttm -90.81 -48.97 6.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 71.450000000000003 109.332 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.443 ' HA ' ' NE ' ' A' ' 67' ' ' ARG . 6.6 mmp_? -54.44 -65.16 0.62 Allowed 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.546 1.154 . . . . 74.150000000000006 110.237 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.494 ' O ' ' CG ' ' A' ' 69' ' ' MET . 6.5 pt -74.08 -4.09 5.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 74.209999999999994 109.312 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.494 ' CG ' ' O ' ' A' ' 68' ' ' ILE . 8.7 ptp 43.32 39.24 2.0 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 64.340000000000003 110.952 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.533 HD12 ' HA ' ' A' ' 70' ' ' LEU . 5.6 tp -54.11 140.62 52.41 Favored Pre-proline 0 C--N 1.324 -0.527 0 O-C-N 124.523 1.139 . . . . 62.43 109.3 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.421 ' HD3' ' HA ' ' A' ' 70' ' ' LEU . 18.3 Cg_endo -75.06 167.02 27.9 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.521 1.801 . . . . 75.310000000000002 111.002 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.91 0.7 8.54 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.474 1.776 . . . . 73.310000000000002 111.04 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -96.2 -1.19 48.79 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.476 1.11 . . . . 75.109999999999999 110.246 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -112.48 179.78 3.89 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.127 . . . . 74.239999999999995 109.35 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -134.51 154.62 51.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 54.009999999999998 109.303 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.685 HD11 ' CD2' ' A' ' 109' ' ' TYR . 1.1 tt -152.44 117.71 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.104 . . . . 71.129999999999995 109.283 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 63.9 m-85 -116.74 141.41 48.24 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 70.230000000000004 111.011 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.746 ' CG1' HG22 ' A' ' 61' ' ' VAL . 3.0 mm -85.04 157.22 3.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 70.040000000000006 109.266 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' PHE . . . . . 0.5 ' CZ ' ' O ' ' A' ' 114' ' ' THR . 5.0 m-85 -151.21 123.62 8.37 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.443 1.089 . . . . 63.119999999999997 110.953 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.728 ' O ' HG22 ' A' ' 83' ' ' THR . 2.0 t -126.57 105.95 14.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.445 1.091 . . . . 75.209999999999994 109.295 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' ASN . . . . . 0.496 ' O ' ' CB ' ' A' ' 82' ' ' ASP . 3.3 m120 71.36 21.6 4.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.453 1.095 . . . . 74.420000000000002 109.29 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' ASP . . . . . 0.496 ' CB ' ' O ' ' A' ' 81' ' ' ASN . 9.0 t0 81.92 21.88 0.29 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.562 1.164 . . . . 75.129999999999995 109.293 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.728 HG22 ' O ' ' A' ' 80' ' ' VAL . 1.1 t -124.58 141.31 52.19 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.456 1.098 . . . . 74.25 110.392 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.448 ' CD1' ' O ' ' A' ' 78' ' ' ILE . 0.2 OUTLIER -101.32 107.91 52.78 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.482 1.113 . . . . 64.219999999999999 109.27 -179.934 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 163.38 35.35 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.497 1.788 . . . . 73.140000000000001 110.992 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' PRO . . . . . 0.766 ' HG2' ' HB2' ' A' ' 89' ' ' ALA . 18.4 Cg_endo -74.98 -168.21 0.49 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.486 1.782 . . . . 70.439999999999998 111.044 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 2.6 p -96.43 -35.22 11.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 62.409999999999997 110.402 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -83.82 6.95 19.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 71.439999999999998 109.282 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 1.031 ' HB1' HD11 ' A' ' 94' ' ' ILE . . . -76.34 60.77 1.58 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.533 1.146 . . . . 73.430000000000007 109.233 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.601 ' C ' ' O ' ' A' ' 89' ' ' ALA . 0.4 OUTLIER -23.86 123.31 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.45 1.094 . . . . 71.209999999999994 109.235 179.923 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 91' ' ' MET . . . . . 0.402 ' HE2' HG21 ' A' ' 51' ' ' VAL . 40.8 mmm -51.62 -20.22 1.9 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.521 1.138 . . . . 71.209999999999994 110.931 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 6.6 t -69.81 -45.63 67.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 61.219999999999999 110.048 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -78.25 -8.46 58.38 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.119 . . . . 70.439999999999998 109.35 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 1.031 HD11 ' HB1' ' A' ' 89' ' ' ALA . 21.9 mm -87.03 -48.4 15.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 61.530000000000001 109.304 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 95' ' ' TYR . . . . . 0.82 ' CD2' HD23 ' A' ' 105' ' ' LEU . 4.1 t80 -70.52 -6.19 34.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 52.140000000000001 111.035 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 96' ' ' GLN . . . . . 0.415 ' O ' ' CG ' ' A' ' 96' ' ' GLN . 27.2 tp60 -95.86 -12.74 24.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.441 1.088 . . . . 73.329999999999998 110.298 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -121.78 -6.14 9.1 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.467 1.105 . . . . 70.129999999999995 110.312 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' HIS . . . . . 0.7 ' HB2' HD11 ' A' ' 105' ' ' LEU . 31.8 m170 -121.29 14.44 11.26 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.542 1.151 . . . . 62.030000000000001 109.584 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.519 ' HB3' ' O ' ' A' ' 95' ' ' TYR . 0.0 OUTLIER -70.61 157.04 38.64 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.469 1.105 . . . . 60.420000000000002 109.278 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 100' ' ' ASP . . . . . 0.448 ' O ' ' N ' ' A' ' 103' ' ' GLY . 0.4 OUTLIER -130.88 173.61 10.79 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.494 1.121 . . . . 64.510000000000005 109.257 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 43.6 mtmt -48.64 -41.1 30.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 74.239999999999995 109.283 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' ASP . . . . . 0.486 ' HB3' ' CE2' ' A' ' 11' ' ' PHE . 0.3 OUTLIER -63.5 -32.25 73.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.452 1.095 . . . . 52.350000000000001 109.314 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 103' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 100' ' ' ASP . . . 101.56 -39.44 2.75 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.504 1.128 . . . . 42.140000000000001 111.031 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 104' ' ' PHE . . . . . 0.654 ' CE2' ' NH2' ' A' ' 14' ' ' ARG . 21.2 m-85 -68.09 145.56 54.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 0.767 . . . . 73.230000000000004 111.002 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.82 HD23 ' CD2' ' A' ' 95' ' ' TYR . 0.2 OUTLIER -80.28 162.47 24.57 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.402 1.064 . . . . 74.420000000000002 109.256 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 31.0 m-85 -140.98 88.64 2.19 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 64.400000000000006 110.99 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.551 HG13 ' HA ' ' A' ' 33' ' ' CYS . 9.9 p -94.05 169.06 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.514 1.134 . . . . 71.319999999999993 109.274 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 108' ' ' THR . . . . . 0.944 HG23 ' HB3' ' A' ' 34' ' ' GLU . 0.2 OUTLIER -153.88 130.78 10.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 74.209999999999994 110.422 -179.952 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 109' ' ' TYR . . . . . 0.685 ' CD2' HD11 ' A' ' 76' ' ' ILE . 45.3 p90 -114.42 143.66 44.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.594 1.184 . . . . 63.539999999999999 110.972 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 18.8 t -146.79 141.93 27.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 73.5 110.018 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -64.33 -10.43 41.92 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.528 1.142 . . . . 54.340000000000003 110.991 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -110.92 130.92 55.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.413 0.714 . . . . 65.25 110.284 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 113' ' ' ASN . . . . . 0.4 ' CG ' ' O ' ' A' ' 113' ' ' ASN . 46.1 t-20 -93.96 42.23 1.09 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.544 1.153 . . . . 71.129999999999995 109.279 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 114' ' ' THR . . . . . 0.512 HG22 ' H ' ' A' ' 115' ' ' PHE . 3.5 m -102.66 178.12 4.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.418 1.073 . . . . 73.219999999999999 110.414 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 115' ' ' PHE . . . . . 0.512 ' H ' HG22 ' A' ' 114' ' ' THR . 4.0 p90 -123.01 101.32 7.36 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.592 1.183 . . . . 74.329999999999998 111.013 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.976 0 O-C-N 124.499 1.124 . . . . 63.520000000000003 110.96 179.964 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 597' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.037 0 N-CA-C 110.973 -0.851 . . . . 75.340000000000003 110.973 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 598' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 138.42 22.98 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.484 1.781 . . . . 62.549999999999997 111.03 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 599' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -141.72 167.41 22.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.567 1.167 . . . . 61.329999999999998 109.587 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 600' ' ' MET . . . . . 0.487 ' SD ' ' CD1' ' B' ' 607' ' ' ILE . 21.6 mmm -78.38 167.15 21.76 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.509 1.131 . . . . 71.310000000000002 111.008 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 601' ' ' ILE . . . . . 0.588 HG22 ' N ' ' B' ' 602' ' ' SER . 5.3 mp -108.49 -104.24 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.153 . . . . 72.439999999999998 109.314 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 602' ' ' SER . . . . . 0.588 ' N ' HG22 ' B' ' 601' ' ' ILE . 30.5 t -129.39 167.21 18.12 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 55.439999999999998 110.007 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 603' ' ' GLY . . . . . . . . . . . . . . . 78.03 177.2 47.35 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.508 1.13 . . . . 71.310000000000002 111.004 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 604' ' ' LEU . . . . . . . . . . . . . 1.2 pt? -127.92 129.61 47.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 0.767 . . . . 63.329999999999998 109.307 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 605' ' ' SER . . . . . . . . . . . . . 2.4 p -179.35 172.77 1.16 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.492 1.12 . . . . 73.049999999999997 110.032 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 606' ' ' VAL . . . . . 0.488 HG22 ' H ' ' B' ' 607' ' ' ILE . 9.4 p -50.55 169.91 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.489 1.118 . . . . 74.109999999999999 109.271 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 607' ' ' ILE . . . . . 0.488 ' H ' HG22 ' B' ' 606' ' ' VAL . 5.9 mm -125.9 150.14 31.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.562 1.164 . . . . 71.450000000000003 109.357 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 608' ' ' LYS . . . . . . . . . . . . . 43.6 mtmt -119.6 135.29 54.86 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.494 1.121 . . . . 71.519999999999996 109.29 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 609' ' ' GLN . . . . . 0.415 ' CD ' ' N ' ' B' ' 609' ' ' GLN . 11.3 mp0 -128.53 163.11 25.69 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.457 1.098 . . . . 75.510000000000005 110.307 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 610' ' ' GLU . . . . . 0.885 ' O ' HG13 ' B' ' 611' ' ' VAL . 8.8 pt-20 -107.95 -172.06 1.99 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 74.310000000000002 110.326 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 611' ' ' VAL . . . . . 0.885 HG13 ' O ' ' B' ' 610' ' ' GLU . 0.0 OUTLIER -172.76 152.97 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 74.530000000000001 109.243 -179.966 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 612' ' ' GLU . . . . . 0.42 ' HG3' ' CG ' ' B' ' 613' ' ' ARG . 9.1 pt-20 -112.48 -43.43 3.5 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.468 1.105 . . . . 72.219999999999999 110.347 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 613' ' ' ARG . . . . . 0.42 ' CG ' ' HG3' ' B' ' 612' ' ' GLU . 1.6 ptt180 -143.82 -45.51 0.27 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 71.310000000000002 110.303 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 614' ' ' LEU . . . . . 0.666 ' CD2' ' CE2' ' A' ' 5' ' ' PHE . 7.1 mp -75.8 -172.18 1.84 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.48 1.113 . . . . 75.010000000000005 109.28 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 615' ' ' GLY . . . . . . . . . . . . . . . 130.04 -42.99 1.34 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.497 1.123 . . . . 55.229999999999997 110.993 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 616' ' ' ASN . . . . . 0.403 ' O ' ' O ' ' B' ' 619' ' ' PHE . 55.5 t30 -78.15 107.82 11.01 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 0.769 . . . . 73.319999999999993 109.287 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 617' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 53.99 31.72 14.07 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 64.209999999999994 109.341 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 618' ' ' VAL . . . . . 0.553 ' O ' ' CG ' ' B' ' 619' ' ' PHE . 7.2 t 45.84 33.17 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.441 1.088 . . . . 73.239999999999995 109.279 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 619' ' ' PHE . . . . . 0.581 ' CD1' ' HB3' ' B' ' 624' ' ' ASP . 15.5 m-85 -172.33 130.59 0.59 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 72.230000000000004 111.0 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 620' ' ' GLU . . . . . 0.4 ' CD ' ' O ' ' B' ' 620' ' ' GLU . 0.3 OUTLIER -157.2 69.92 0.59 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.459 1.1 . . . . 53.420000000000002 110.292 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 621' ' ' TRP . . . . . 0.513 ' O ' ' C ' ' B' ' 622' ' ' GLU . 0.6 OUTLIER -164.99 -166.3 1.01 Allowed 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 107.907 -1.146 . . . . 73.319999999999993 107.907 -179.939 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 622' ' ' GLU . . . . . 0.513 ' C ' ' O ' ' B' ' 621' ' ' TRP . 15.8 mm-40 -29.76 -75.64 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 64.150000000000006 110.277 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 623' ' ' ASP . . . . . 0.537 ' O ' ' CB ' ' B' ' 626' ' ' SER . 2.9 m-20 175.88 118.4 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 72.319999999999993 109.32 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 624' ' ' ASP . . . . . 0.581 ' HB3' ' CD1' ' B' ' 619' ' ' PHE . 5.2 p-10 -49.74 -40.92 42.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.115 . . . . 63.210000000000001 109.31 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 625' ' ' GLU . . . . . 0.457 ' O ' ' C ' ' B' ' 626' ' ' SER . 4.5 pt-20 -70.09 -25.08 63.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 75.099999999999994 110.342 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 626' ' ' SER . . . . . 0.537 ' CB ' ' O ' ' B' ' 623' ' ' ASP . 22.5 t -34.21 135.2 0.16 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.145 . . . . 72.439999999999998 109.988 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 627' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -62.27 -12.92 23.28 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.556 1.16 . . . . 61.450000000000003 109.285 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 628' ' ' GLU . . . . . 0.52 ' O ' HG13 ' A' ' 63' ' ' VAL . 10.4 pt-20 -54.66 -22.85 14.93 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 70.040000000000006 110.333 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 629' ' ' ILE . . . . . 0.543 ' C ' HD12 ' B' ' 629' ' ' ILE . 1.3 pp -110.31 31.19 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.449 1.093 . . . . 61.409999999999997 109.262 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 630' ' ' ALA . . . . . 0.748 ' HA ' HG21 ' A' ' 63' ' ' VAL . . . . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 73.25 109.288 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 0' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.258 0 N-CA-C 109.541 -0.541 . . . . 72.510000000000005 109.541 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.0 mtm -104.96 -169.63 1.64 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.489 1.118 . . . . 71.219999999999999 111.05 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.448 ' O ' ' CG ' ' A' ' 34' ' ' GLU . 1.8 ptmt -120.33 -42.65 2.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.539 1.149 . . . . 64.099999999999994 109.294 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.45 ' O ' ' CB ' ' A' ' 7' ' ' SER . 42.2 m -114.05 138.19 50.72 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.504 1.127 . . . . 61.210000000000001 109.978 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.442 ' OG1' ' N ' ' A' ' 5' ' ' PHE . 69.9 p -126.22 -73.66 0.62 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.464 1.103 . . . . 74.439999999999998 110.441 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.619 ' HA ' HH21 ' B' ' 613' ' ' ARG . 56.1 t80 -52.74 -26.33 13.79 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.504 1.127 . . . . 75.109999999999999 111.039 179.895 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.441 ' HE3' ' CE1' ' A' ' 106' ' ' TYR . 29.0 tttm -100.72 -20.6 15.52 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.593 1.183 . . . . 72.109999999999999 109.358 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.45 ' CB ' ' O ' ' A' ' 3' ' ' SER . 39.1 t -83.09 5.12 23.55 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.539 1.149 . . . . 63.350000000000001 110.043 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.741 ' HG2' HD12 ' B' ' 614' ' ' LEU . 5.4 tp10 -90.49 -64.1 1.18 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.642 1.214 . . . . 75.049999999999997 110.292 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.661 ' CZ ' HG13 ' B' ' 618' ' ' VAL . 22.3 p90 -105.84 164.19 15.52 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.613 1.196 . . . . 62.130000000000003 111.012 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 171.16 18.86 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.486 1.782 . . . . 44.439999999999998 110.989 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.578 ' CE2' ' HB3' ' A' ' 102' ' ' ASP . 2.3 t80 -58.5 -34.88 71.43 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.585 1.178 . . . . 73.120000000000005 110.983 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -62.72 -12.32 23.1 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.517 1.136 . . . . 72.25 110.25 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.573 ' HB3' ' CD2' ' A' ' 9' ' ' TYR . 0.0 OUTLIER -93.75 -15.01 25.62 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.486 1.116 . . . . 72.310000000000002 109.388 179.983 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.594 ' NH2' ' CE2' ' A' ' 5' ' ' PHE . 3.9 ttm105 -97.32 -39.59 9.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 72.400000000000006 110.322 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 27.6 pttt -64.57 -38.8 92.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 63.020000000000003 109.26 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -77.81 -14.94 59.42 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.499 1.124 . . . . 52.130000000000003 109.236 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.759 ' OE1' HG11 ' B' ' 618' ' ' VAL . 77.3 tt0 -75.43 -48.5 22.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 64.25 110.311 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.1 -9.92 55.08 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.408 1.067 . . . . 73.400000000000006 110.109 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 -73.03 -25.86 61.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 72.310000000000002 110.243 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.405 ' HG3' ' N ' ' A' ' 21' ' ' ILE . 3.7 ptp180 -100.57 -32.54 10.72 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.532 1.145 . . . . 74.030000000000001 110.253 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.405 ' N ' ' HG3' ' A' ' 20' ' ' ARG . 4.8 mt -66.83 -17.53 22.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 70.129999999999995 109.32 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -76.61 -17.63 59.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 53.32 109.213 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -105.66 -16.82 14.59 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 74.040000000000006 109.315 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 2.8 mmm180 -95.34 -60.73 1.61 Allowed 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.463 1.102 . . . . 72.200000000000003 110.328 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.431 ' HB3' ' CG ' ' A' ' 28' ' ' ARG . 4.0 m-85 -122.11 80.74 43.65 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.561 1.163 . . . . 64.319999999999993 111.024 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 -32.05 5.82 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.427 1.751 . . . . 74.200000000000003 111.024 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 12.5 m-20 -91.28 39.07 0.99 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.436 1.085 . . . . 72.439999999999998 109.315 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.511 ' NH1' HD23 ' A' ' 50' ' ' LEU . 9.1 mmt85 -127.45 174.91 8.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 75.129999999999995 110.377 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.429 HG23 ' CB ' ' A' ' 95' ' ' TYR . 30.5 mm -137.11 99.39 9.97 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.127 . . . . 73.209999999999994 109.262 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.6 ' HD2' ' CE2' ' A' ' 95' ' ' TYR . 18.2 Cg_endo -75.06 118.9 5.41 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.425 1.75 . . . . 64.019999999999996 110.973 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.714 ' O ' HD13 ' A' ' 32' ' ' ILE . 1.4 m -134.11 172.15 16.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.466 1.104 . . . . 75.340000000000003 109.266 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.714 HD13 ' O ' ' A' ' 31' ' ' VAL . 5.0 mm -140.97 107.52 2.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.559 1.162 . . . . 65.239999999999995 109.278 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.471 ' HG ' ' HD1' ' A' ' 109' ' ' TYR . 1.0 OUTLIER -92.44 136.36 33.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.545 1.153 . . . . 43.200000000000003 108.264 -179.961 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.895 ' CB ' HH21 ' A' ' 47' ' ' ARG . 8.4 tm-20 -140.27 153.3 46.45 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.568 1.167 . . . . 74.129999999999995 110.302 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.444 ' NZ ' ' O ' ' A' ' 39' ' ' SER . 0.0 OUTLIER -82.89 128.03 34.05 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.58 1.175 . . . . 74.109999999999999 109.327 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.556 ' HB3' ' HB2' ' A' ' 110' ' ' SER . . . -76.87 112.08 13.09 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.467 1.105 . . . . 61.539999999999999 109.258 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.47 ' CG ' ' N ' ' A' ' 38' ' ' LYS . 14.1 pt-20 -42.6 -48.37 5.4 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.505 1.128 . . . . 72.099999999999994 110.299 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.47 ' N ' ' CG ' ' A' ' 37' ' ' GLU . 0.0 OUTLIER -42.38 -43.85 3.72 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.522 1.138 . . . . 70.129999999999995 109.332 179.938 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.444 ' O ' ' NZ ' ' A' ' 35' ' ' LYS . 0.2 OUTLIER -62.21 166.36 4.96 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.559 1.162 . . . . 61.219999999999999 109.98 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 10.0 t0 -120.14 27.21 8.77 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.476 1.11 . . . . 65.120000000000005 109.274 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.617 HD11 ' CE2' ' A' ' 109' ' ' TYR . 0.1 OUTLIER -92.21 171.28 7.89 Favored Pre-proline 0 C--N 1.323 -0.572 0 O-C-N 124.606 1.191 . . . . 75.430000000000007 109.349 179.912 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 123.08 7.61 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.586 1.835 . . . . 64.400000000000006 110.976 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -60.71 152.93 25.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 74.430000000000007 110.273 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.489 ' CD1' ' OH ' ' A' ' 49' ' ' TYR . 10.7 tt -83.16 161.62 3.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 73.530000000000001 109.238 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.442 ' N ' HG12 ' A' ' 44' ' ' ILE . 1.0 OUTLIER -62.77 -49.91 73.12 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.425 1.078 . . . . 74.129999999999995 109.264 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.554 ' HG2' ' CZ2' ' B' ' 621' ' ' TRP . 0.0 OUTLIER -149.38 164.97 33.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 72.310000000000002 109.267 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.895 HH21 ' CB ' ' A' ' 34' ' ' GLU . 0.9 OUTLIER -109.45 95.33 5.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.105 . . . . 73.310000000000002 110.341 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.574 ' HB2' ' CD2' ' A' ' 5' ' ' PHE . 8.6 tptp -165.93 108.48 0.77 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.447 1.092 . . . . 65.409999999999997 109.335 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.708 ' CE2' HD13 ' A' ' 64' ' ' ILE . 43.9 m-85 -135.27 124.99 25.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.117 . . . . 72.340000000000003 110.962 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.511 HD23 ' NH1' ' A' ' 28' ' ' ARG . 0.4 OUTLIER -111.61 78.05 1.09 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 74.329999999999998 109.317 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.909 HG21 ' SD ' ' A' ' 91' ' ' MET . 28.4 m -77.51 150.13 79.14 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.114 . . . . 63.399999999999999 109.29 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.52 ' HD3' ' HB1' ' B' ' 630' ' ' ALA . 18.2 Cg_endo -75.04 -178.09 3.93 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.484 1.781 . . . . 72.439999999999998 110.98 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -93.44 18.48 9.73 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.545 1.153 . . . . 72.450000000000003 109.272 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 18.8 m-20 -121.09 -38.86 2.76 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 72.409999999999997 109.255 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.431 ' HG ' ' CB ' ' A' ' 59' ' ' GLN . 0.9 OUTLIER -56.25 129.09 38.83 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.527 1.142 . . . . 73.349999999999994 109.296 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 56' ' ' THR . . . . . 1.001 HG22 ' CD2' ' A' ' 90' ' ' LEU . 5.0 p -90.65 177.0 6.46 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.457 1.098 . . . . 33.539999999999999 110.38 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.44 ' O ' HG23 ' A' ' 61' ' ' VAL . 2.8 t -64.9 -43.27 96.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 60.439999999999998 109.268 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -70.73 -7.86 62.44 Favored Glycine 0 CA--C 1.528 0.897 0 O-C-N 124.422 1.077 . . . . 73.230000000000004 111.038 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.431 ' CB ' ' HG ' ' A' ' 55' ' ' LEU . 8.7 mt-30 -99.26 -23.88 15.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.449 0.735 . . . . 74.530000000000001 110.226 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.724 ' CD1' HG11 ' A' ' 51' ' ' VAL . 16.0 t80 -77.41 -53.35 7.76 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.518 1.136 . . . . 73.030000000000001 110.936 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.669 HG22 ' CG1' ' A' ' 78' ' ' ILE . 50.8 t -39.24 -36.13 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.423 1.077 . . . . 73.010000000000005 109.315 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.547 ' CG ' ' N ' ' A' ' 63' ' ' VAL . 0.4 OUTLIER -58.25 -66.4 0.49 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.531 1.144 . . . . 74.540000000000006 111.016 -179.972 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.742 HG11 ' C ' ' B' ' 629' ' ' ILE . 77.0 t -44.01 -32.86 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.45 1.094 . . . . 65.319999999999993 109.234 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.708 HD13 ' CE2' ' A' ' 49' ' ' TYR . 28.7 mm -69.28 -65.3 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.403 1.064 . . . . 74.049999999999997 109.35 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.457 ' O ' ' N ' ' A' ' 69' ' ' MET . 4.2 tpp85 -44.86 -25.83 0.34 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.458 1.099 . . . . 63.25 110.284 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.445 ' HD3' ' CD1' ' A' ' 62' ' ' TYR . 0.0 OUTLIER -71.79 -44.95 63.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 71.450000000000003 109.237 -179.936 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.446 ' N ' ' O ' ' A' ' 64' ' ' ILE . 0.2 OUTLIER -57.92 -39.76 78.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 74.150000000000006 110.305 -179.984 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.679 HD11 ' CD1' ' A' ' 76' ' ' ILE . 3.3 pt -101.32 6.6 9.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.523 1.14 . . . . 74.209999999999994 109.336 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.457 ' N ' ' O ' ' A' ' 65' ' ' ARG . 0.0 OUTLIER 33.89 36.15 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.565 1.166 . . . . 64.340000000000003 110.95 -179.976 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.493 HD12 ' HA ' ' A' ' 70' ' ' LEU . 5.4 tp -50.74 140.54 19.43 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 62.43 109.303 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' ' 70' ' ' LEU . 18.3 Cg_endo -75.02 167.7 26.44 Favored 'Trans proline' 0 C--N 1.359 1.102 0 O-C-N 124.555 1.818 . . . . 75.310000000000002 110.963 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 0.62 8.7 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.527 1.803 . . . . 73.310000000000002 110.966 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -97.58 5.24 49.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.413 1.071 . . . . 75.109999999999999 110.252 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -124.26 -179.02 4.28 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.514 1.134 . . . . 74.239999999999995 109.299 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -140.18 171.96 13.42 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.524 1.14 . . . . 54.009999999999998 109.296 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.724 HD11 ' CD2' ' A' ' 109' ' ' TYR . 1.4 tt -163.12 114.32 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 71.129999999999995 109.324 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.679 ' HB3' HD21 ' A' ' 84' ' ' LEU . 66.6 m-85 -110.58 137.46 48.24 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.48 1.112 . . . . 70.230000000000004 111.067 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.678 ' O ' HD23 ' A' ' 84' ' ' LEU . 7.5 mm -84.59 132.41 31.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.108 . . . . 70.040000000000006 109.315 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -123.39 123.7 41.27 Favored 'General case' 0 C--N 1.323 -0.563 0 O-C-N 124.53 1.144 . . . . 63.119999999999997 111.062 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.751 ' O ' HG22 ' A' ' 83' ' ' THR . 2.2 t -126.97 107.19 16.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.533 1.145 . . . . 75.209999999999994 109.265 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' ASN . . . . . 0.497 ' O ' ' CB ' ' A' ' 82' ' ' ASP . 2.2 m120 68.91 21.07 7.69 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.413 1.071 . . . . 74.420000000000002 109.325 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' ASP . . . . . 0.497 ' CB ' ' O ' ' A' ' 81' ' ' ASN . 1.8 m-20 82.04 24.08 0.22 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.125 . . . . 75.129999999999995 109.278 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.751 HG22 ' O ' ' A' ' 80' ' ' VAL . 1.2 t -127.09 142.63 51.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.43 1.081 . . . . 74.25 110.408 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.679 HD21 ' HB3' ' A' ' 77' ' ' PHE . 2.0 mt -101.38 108.15 53.97 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 64.219999999999999 109.278 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -74.91 155.74 43.38 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.514 1.797 . . . . 73.140000000000001 110.944 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' PRO . . . . . 0.735 ' HD2' ' HB2' ' A' ' 89' ' ' ALA . 18.6 Cg_endo -74.96 177.68 8.25 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.477 1.777 . . . . 70.439999999999998 110.966 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 8.6 p -78.89 -32.77 45.97 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.561 1.163 . . . . 62.409999999999997 110.32 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -80.53 3.47 21.56 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.562 1.164 . . . . 71.439999999999998 109.32 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 1.061 ' HB1' HD11 ' A' ' 94' ' ' ILE . . . -75.94 60.58 1.39 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 73.430000000000007 109.4 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 1.001 ' CD2' HG22 ' A' ' 56' ' ' THR . 14.7 mt -31.12 120.46 0.22 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.461 1.1 . . . . 71.209999999999994 109.274 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 91' ' ' MET . . . . . 0.909 ' SD ' HG21 ' A' ' 51' ' ' VAL . 0.0 OUTLIER -34.7 -36.82 0.05 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 71.209999999999994 110.969 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 92' ' ' SER . . . . . 0.419 ' N ' ' O ' ' A' ' 90' ' ' LEU . 7.3 t -58.9 -59.18 5.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 61.219999999999999 109.999 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -59.2 -16.05 18.39 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.459 1.099 . . . . 70.439999999999998 109.229 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 1.061 HD11 ' HB1' ' A' ' 89' ' ' ALA . 19.0 mm -86.43 -38.31 12.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.553 1.158 . . . . 61.530000000000001 109.344 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 95' ' ' TYR . . . . . 0.806 ' CD2' HD23 ' A' ' 105' ' ' LEU . 9.3 t80 -80.42 -6.06 57.48 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 52.140000000000001 110.976 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 96' ' ' GLN . . . . . 0.444 ' O ' ' CG ' ' A' ' 96' ' ' GLN . 1.5 tt0 -101.67 -10.38 20.06 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.47 1.106 . . . . 73.329999999999998 110.308 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -119.31 -8.17 10.13 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.135 . . . . 70.129999999999995 110.307 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' HIS . . . . . 0.428 ' HB2' HD11 ' A' ' 105' ' ' LEU . 31.5 m170 -127.7 16.83 6.93 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.101 . . . . 62.030000000000001 109.653 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.469 ' HB3' ' O ' ' A' ' 95' ' ' TYR . 0.0 OUTLIER -57.74 157.66 7.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.099 . . . . 60.420000000000002 109.34 179.938 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -128.56 173.08 10.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 64.510000000000005 109.352 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 13.1 mtpt -58.65 -38.9 79.14 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.447 1.092 . . . . 74.239999999999995 109.279 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' ASP . . . . . 0.578 ' HB3' ' CE2' ' A' ' 11' ' ' PHE . 0.4 OUTLIER -71.65 -12.36 61.3 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 52.350000000000001 109.343 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 103' ' ' GLY . . . . . 0.478 ' O ' ' CZ ' ' A' ' 95' ' ' TYR . . . 88.06 -39.49 3.11 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.562 1.164 . . . . 42.140000000000001 110.927 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 104' ' ' PHE . . . . . 0.572 ' CD1' ' HG2' ' A' ' 14' ' ' ARG . 15.5 m-85 -60.83 156.31 17.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.569 0.805 . . . . 73.230000000000004 110.926 -179.881 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.806 HD23 ' CD2' ' A' ' 95' ' ' TYR . 0.2 OUTLIER -96.64 146.94 24.39 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.454 1.096 . . . . 74.420000000000002 109.238 -179.944 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 106' ' ' TYR . . . . . 0.441 ' CE1' ' HE3' ' A' ' 6' ' ' LYS . 78.9 m-85 -124.7 96.43 4.89 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.474 1.109 . . . . 64.400000000000006 110.944 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.704 HG23 HG22 ' A' ' 80' ' ' VAL . 11.2 p -108.86 171.55 2.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.517 1.135 . . . . 71.319999999999993 109.284 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 108' ' ' THR . . . . . 0.527 ' H ' HG22 ' A' ' 107' ' ' VAL . 0.6 OUTLIER -153.21 163.62 39.56 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.533 1.145 . . . . 74.209999999999994 110.468 179.912 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 109' ' ' TYR . . . . . 0.724 ' CD2' HD11 ' A' ' 76' ' ' ILE . 23.6 p90 -141.21 138.37 33.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 63.539999999999999 110.967 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 110' ' ' SER . . . . . 0.556 ' HB2' ' HB3' ' A' ' 36' ' ' ALA . 38.2 t -138.29 120.48 15.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.546 1.153 . . . . 73.5 110.004 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 111' ' ' GLY . . . . . 0.453 ' H ' HG21 ' A' ' 41' ' ' ILE . . . -38.76 -31.59 0.13 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.571 1.169 . . . . 54.340000000000003 111.005 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 -99.68 151.1 21.6 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.468 0.746 . . . . 65.25 110.333 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 113' ' ' ASN . . . . . 0.538 HD21 HD13 ' A' ' 84' ' ' LEU . 35.8 t-20 -96.74 48.83 1.07 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.447 1.092 . . . . 71.129999999999995 109.313 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 114' ' ' THR . . . . . 0.688 HG22 ' H ' ' A' ' 115' ' ' PHE . 7.0 m -144.71 -174.87 4.45 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.497 1.123 . . . . 73.219999999999999 110.392 -179.91 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 115' ' ' PHE . . . . . 0.688 ' H ' HG22 ' A' ' 114' ' ' THR . 1.7 p90 -139.65 105.51 5.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.413 1.071 . . . . 74.329999999999998 111.028 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 O-C-N 124.57 1.169 . . . . 63.520000000000003 110.983 -179.946 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 597' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 N-CA-C 111.1 -0.8 . . . . 75.340000000000003 111.1 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 598' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -175.01 2.13 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.505 1.792 . . . . 62.549999999999997 111.006 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 599' ' ' HIS . . . . . . . . . . . . . 47.8 m170 -91.44 167.94 11.9 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.556 1.16 . . . . 61.329999999999998 109.567 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 600' ' ' MET . . . . . . . . . . . . . 1.6 mtt -94.92 124.67 39.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 71.310000000000002 111.01 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 601' ' ' ILE . . . . . . . . . . . . . 27.8 mm -69.6 125.03 26.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.568 1.167 . . . . 72.439999999999998 109.202 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 602' ' ' SER . . . . . . . . . . . . . 12.1 t -141.21 107.68 5.3 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.482 1.114 . . . . 55.439999999999998 110.037 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 603' ' ' GLY . . . . . . . . . . . . . . . 111.44 -138.16 14.78 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.478 1.111 . . . . 71.310000000000002 110.98 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 604' ' ' LEU . . . . . . . . . . . . . 10.1 tt -45.53 118.4 1.76 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 0.78 . . . . 63.329999999999998 109.323 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 605' ' ' SER . . . . . . . . . . . . . 32.3 t -133.13 155.74 48.72 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.551 1.157 . . . . 73.049999999999997 109.984 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 606' ' ' VAL . . . . . 0.52 HG22 ' N ' ' B' ' 607' ' ' ILE . 13.5 p -100.75 169.24 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.631 1.207 . . . . 74.109999999999999 109.308 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 607' ' ' ILE . . . . . 0.52 ' N ' HG22 ' B' ' 606' ' ' VAL . 3.1 mm -59.32 132.43 24.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.551 1.157 . . . . 71.450000000000003 109.35 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 608' ' ' LYS . . . . . . . . . . . . . 20.3 mmtp -139.47 144.0 37.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 71.519999999999996 109.282 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 609' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -108.41 170.89 7.74 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.551 1.157 . . . . 75.510000000000005 110.359 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 610' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -106.7 -171.16 1.84 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.109 . . . . 74.310000000000002 110.292 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 611' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -160.3 133.91 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.583 1.177 . . . . 74.530000000000001 109.302 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 612' ' ' GLU . . . . . 0.41 ' CG ' ' N ' ' B' ' 613' ' ' ARG . 10.2 pt-20 -123.39 -53.51 1.8 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.138 . . . . 72.219999999999999 110.299 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 613' ' ' ARG . . . . . 0.619 HH21 ' HA ' ' A' ' 5' ' ' PHE . 5.8 ptt180 -137.18 -43.28 0.56 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 71.310000000000002 110.319 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 614' ' ' LEU . . . . . 0.741 HD12 ' HG2' ' A' ' 8' ' ' GLU . 1.4 pp -113.92 154.89 26.77 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.557 1.161 . . . . 75.010000000000005 109.318 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 615' ' ' GLY . . . . . 0.408 ' O ' ' C ' ' B' ' 616' ' ' ASN . . . -163.02 -67.63 0.02 OUTLIER Glycine 0 CA--C 1.532 1.127 0 O-C-N 124.58 1.175 . . . . 55.229999999999997 110.985 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 616' ' ' ASN . . . . . 0.408 ' C ' ' O ' ' B' ' 615' ' ' GLY . 5.9 p30 -39.85 -35.0 0.3 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.564 0.803 . . . . 73.319999999999993 109.282 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 617' ' ' ASP . . . . . 0.45 ' N ' ' OE1' ' B' ' 620' ' ' GLU . 21.0 m-20 -151.76 173.76 14.35 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.5 1.125 . . . . 64.209999999999994 109.316 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 618' ' ' VAL . . . . . 0.759 HG11 ' OE1' ' A' ' 17' ' ' GLU . 1.5 t -79.98 -22.04 11.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.127 . . . . 73.239999999999995 109.29 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 619' ' ' PHE . . . . . 0.478 ' CE2' ' O ' ' B' ' 624' ' ' ASP . 3.2 m-30 -116.86 120.96 40.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 72.230000000000004 111.023 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 620' ' ' GLU . . . . . 0.45 ' OE1' ' N ' ' B' ' 617' ' ' ASP . 12.3 mm-40 -136.24 -72.48 0.45 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.468 1.105 . . . . 53.420000000000002 110.282 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 621' ' ' TRP . . . . . 0.671 ' CD1' ' O ' ' B' ' 622' ' ' GLU . 1.0 OUTLIER -58.08 164.1 2.5 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.497 1.123 . . . . 73.319999999999993 107.994 -179.926 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 622' ' ' GLU . . . . . 0.671 ' O ' ' CD1' ' B' ' 621' ' ' TRP . 1.7 pt-20 -52.24 -172.9 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.145 . . . . 64.150000000000006 110.31 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 623' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 71.97 16.36 5.45 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.503 1.127 . . . . 72.319999999999993 109.205 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 624' ' ' ASP . . . . . 0.478 ' O ' ' CE2' ' B' ' 619' ' ' PHE . 14.9 t70 -41.93 -63.48 0.73 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 63.210000000000001 109.391 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 625' ' ' GLU . . . . . 0.412 ' O ' ' C ' ' B' ' 626' ' ' SER . 0.5 OUTLIER -127.44 2.92 6.26 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.475 1.109 . . . . 75.099999999999994 110.351 179.908 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 626' ' ' SER . . . . . 0.412 ' C ' ' O ' ' B' ' 625' ' ' GLU . 59.8 m -38.55 144.47 0.11 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.457 1.098 . . . . 72.439999999999998 109.968 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 627' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -80.19 2.05 25.86 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.491 1.12 . . . . 61.450000000000003 109.328 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 628' ' ' GLU . . . . . 0.693 ' O ' HG13 ' A' ' 63' ' ' VAL . 9.0 pt-20 -63.65 -12.16 31.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 70.040000000000006 110.428 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 629' ' ' ILE . . . . . 0.742 ' C ' HG11 ' A' ' 63' ' ' VAL . 1.3 pp -107.57 14.04 8.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.11 . . . . 61.409999999999997 109.291 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 630' ' ' ALA . . . . . 0.695 ' CA ' HG21 ' A' ' 63' ' ' VAL . . . . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.496 1.122 . . . . 73.25 109.352 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 0' ' ' HIS . . . . . . . . . . . . . 61.1 m80 . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.634 -0.506 . . . . 72.510000000000005 109.634 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 7.0 ptm -55.55 -179.88 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 71.219999999999999 111.078 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 34.9 mttp -134.91 -74.56 0.46 Allowed 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.526 1.142 . . . . 64.099999999999994 109.291 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.2 m -72.91 170.49 14.64 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.452 1.095 . . . . 61.210000000000001 110.005 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.884 HG23 HH21 ' A' ' 47' ' ' ARG . 23.0 p -130.92 -81.73 0.53 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.524 1.14 . . . . 74.439999999999998 110.385 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.597 ' CZ ' ' OH ' ' A' ' 9' ' ' TYR . 6.1 t80 -63.68 -33.26 75.23 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.453 1.095 . . . . 75.109999999999999 110.924 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.532 ' NZ ' ' CE1' ' A' ' 106' ' ' TYR . 0.1 OUTLIER -78.68 -37.56 41.44 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.551 1.157 . . . . 72.109999999999999 109.289 -179.976 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 1.9 t -69.84 -23.5 63.3 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.526 1.141 . . . . 63.350000000000001 109.986 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.959 ' HG2' HD12 ' B' ' 614' ' ' LEU . 7.2 tp10 -44.04 -58.14 2.98 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.564 1.165 . . . . 75.049999999999997 110.349 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.597 ' OH ' ' CZ ' ' A' ' 5' ' ' PHE . 1.2 p90 -120.19 166.07 16.25 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.601 1.188 . . . . 62.130000000000003 110.999 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.478 ' HA ' ' NH2' ' A' ' 14' ' ' ARG . 18.4 Cg_endo -75.0 171.69 17.84 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.41 1.742 . . . . 44.439999999999998 111.066 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.457 ' O ' ' N ' ' A' ' 14' ' ' ARG . 12.3 t80 -55.83 -55.44 32.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 73.120000000000005 110.976 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -39.42 -29.58 0.05 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 72.25 110.264 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.424 ' N ' ' O ' ' A' ' 11' ' ' PHE . 4.1 tppt? -82.65 -49.29 9.97 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.468 1.105 . . . . 72.310000000000002 109.297 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.478 ' NH2' ' HA ' ' A' ' 10' ' ' PRO . 11.6 mtt180 -56.44 -27.33 56.43 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.46 1.1 . . . . 72.400000000000006 110.302 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 23.5 pttt -82.79 -44.17 15.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.444 1.09 . . . . 63.020000000000003 109.332 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.65 -30.11 71.13 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.459 1.099 . . . . 52.130000000000003 109.311 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.505 ' HG2' HG21 ' B' ' 618' ' ' VAL . 30.1 tp10 -72.74 -58.91 2.99 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.466 1.104 . . . . 64.25 110.386 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.594 ' OG ' ' CD2' ' A' ' 104' ' ' PHE . 0.9 OUTLIER -56.32 -18.27 10.27 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.484 1.115 . . . . 73.400000000000006 109.998 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -69.91 -33.15 71.81 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.466 1.104 . . . . 72.310000000000002 110.372 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 26.7 mtm180 -89.76 -36.5 15.12 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.486 1.116 . . . . 74.030000000000001 110.347 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 13.0 mt -58.05 -21.84 17.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 70.129999999999995 109.29 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -74.65 -27.19 60.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 53.32 109.346 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -91.25 -19.78 22.64 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.123 . . . . 74.040000000000006 109.315 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.602 ' O ' ' CD1' ' A' ' 25' ' ' PHE . 5.6 mtp85 -90.39 -31.82 16.7 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.456 1.097 . . . . 72.200000000000003 110.277 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.602 ' CD1' ' O ' ' A' ' 24' ' ' ARG . 5.8 m-85 -153.19 86.45 4.07 Favored Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.433 1.083 . . . . 64.319999999999993 111.074 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -16.39 20.17 Favored 'Trans proline' 0 C--N 1.361 1.215 0 O-C-N 124.481 1.779 . . . . 74.200000000000003 110.977 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.1 p30 -109.91 49.85 0.82 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 72.439999999999998 109.356 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.729 ' HB3' HD11 ' A' ' 50' ' ' LEU . 5.0 mmt-85 -134.63 -178.17 4.94 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 75.129999999999995 110.358 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.607 HG23 ' CB ' ' A' ' 95' ' ' TYR . 37.1 mm -145.27 97.4 4.76 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 73.209999999999994 109.255 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.585 ' HD2' ' CE2' ' A' ' 95' ' ' TYR . 18.2 Cg_endo -74.95 124.21 8.48 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.522 1.801 . . . . 64.019999999999996 110.963 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.511 HG22 ' O ' ' A' ' 49' ' ' TYR . 0.7 OUTLIER -134.17 173.34 14.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.435 1.085 . . . . 75.340000000000003 109.279 179.963 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.456 HD13 ' O ' ' A' ' 31' ' ' VAL . 6.4 mm -137.88 103.6 2.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.547 1.154 . . . . 65.239999999999995 109.305 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.504 ' HA ' HG22 ' A' ' 107' ' ' VAL . 0.5 OUTLIER -75.56 129.05 36.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.445 1.091 . . . . 43.200000000000003 108.271 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.665 ' HB3' HG23 ' A' ' 108' ' ' THR . 5.7 tm-20 -121.26 163.82 17.97 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.544 1.152 . . . . 74.129999999999995 110.198 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.569 ' HG2' ' CE1' ' A' ' 109' ' ' TYR . 0.0 OUTLIER -121.09 112.53 18.81 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.451 1.095 . . . . 74.109999999999999 109.269 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -51.32 166.43 0.11 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.555 1.16 . . . . 61.539999999999999 109.332 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.408 ' CG ' ' N ' ' A' ' 38' ' ' LYS . 14.9 pt-20 -92.36 -48.39 6.69 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.582 1.176 . . . . 72.099999999999994 110.259 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.408 ' N ' ' CG ' ' A' ' 37' ' ' GLU . 53.6 mttm -56.49 -23.16 37.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 70.129999999999995 109.339 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.2 t -57.5 155.87 8.89 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.505 1.128 . . . . 61.219999999999999 109.961 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -115.58 13.83 16.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.133 . . . . 65.120000000000005 109.323 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.605 HD11 ' CE1' ' A' ' 109' ' ' TYR . 0.1 OUTLIER -90.92 163.5 29.44 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.501 1.125 . . . . 75.430000000000007 109.327 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.477 ' O ' HG21 ' A' ' 68' ' ' ILE . 18.4 Cg_endo -74.91 130.71 13.63 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.589 1.836 . . . . 64.400000000000006 111.068 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -62.76 146.63 52.01 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 74.430000000000007 110.336 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.797 HD11 ' OH ' ' A' ' 49' ' ' TYR . 5.4 tt -72.54 172.68 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.545 1.153 . . . . 73.530000000000001 109.286 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.446 ' O ' ' NH1' ' B' ' 613' ' ' ARG . 5.7 m-20 -74.68 -45.75 42.39 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.448 1.092 . . . . 74.129999999999995 109.373 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.563 ' HE3' ' CZ2' ' B' ' 621' ' ' TRP . 0.0 OUTLIER -153.08 161.83 42.04 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.471 1.107 . . . . 72.310000000000002 109.311 179.956 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.884 HH21 HG23 ' A' ' 4' ' ' THR . 12.8 mtt-85 -108.42 94.79 5.25 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.435 1.084 . . . . 73.310000000000002 110.265 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.568 ' HB2' ' CD1' ' A' ' 5' ' ' PHE . 3.0 tptt -167.31 108.72 0.63 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 65.409999999999997 109.362 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.797 ' OH ' HD11 ' A' ' 44' ' ' ILE . 53.5 m-85 -140.94 113.47 8.13 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.448 1.092 . . . . 72.340000000000003 111.03 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.729 HD11 ' HB3' ' A' ' 28' ' ' ARG . 35.4 tp -100.62 78.15 1.96 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.344 1.028 . . . . 74.329999999999998 109.315 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.709 HG21 ' HE2' ' A' ' 91' ' ' MET . 16.4 m -72.79 153.17 91.32 Favored Pre-proline 0 C--N 1.324 -0.531 0 O-C-N 124.472 1.107 . . . . 63.399999999999999 109.262 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 178.48 7.19 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.49 1.784 . . . . 72.439999999999998 111.005 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.509 ' HB1' ' HB2' ' A' ' 92' ' ' SER . . . -90.71 18.66 6.17 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.497 1.123 . . . . 72.450000000000003 109.3 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.444 ' N ' ' OD1' ' A' ' 54' ' ' ASP . 0.0 OUTLIER -120.65 -38.84 2.81 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.521 1.138 . . . . 72.409999999999997 109.253 -179.922 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.823 HD13 ' HB1' ' B' ' 630' ' ' ALA . 0.5 OUTLIER -59.55 132.87 55.3 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.517 1.135 . . . . 73.349999999999994 109.249 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.574 HG22 ' CD1' ' A' ' 90' ' ' LEU . 3.0 p -91.93 -173.45 3.49 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.473 1.108 . . . . 33.539999999999999 110.31 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 2.8 t -74.41 -42.37 49.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 60.439999999999998 109.271 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -73.5 -5.74 68.76 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.505 1.128 . . . . 73.230000000000004 111.045 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.426 ' CB ' ' HG ' ' A' ' 55' ' ' LEU . 4.5 mm100 -98.18 -24.43 15.28 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.552 0.795 . . . . 74.530000000000001 110.265 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 1.04 ' CE1' HD11 ' A' ' 64' ' ' ILE . 1.6 t80 -79.23 -40.26 31.09 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.516 1.135 . . . . 73.030000000000001 111.031 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.783 HG13 ' CG2' ' A' ' 76' ' ' ILE . 88.3 t -53.66 -31.53 19.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 73.010000000000005 109.325 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.569 ' CE1' ' HD2' ' A' ' 66' ' ' LYS . 0.1 OUTLIER -59.11 -30.85 68.42 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.515 1.134 . . . . 74.540000000000006 111.057 179.942 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.517 HG21 ' C ' ' B' ' 630' ' ' ALA . 18.1 t -84.0 -46.06 18.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.13 . . . . 65.319999999999993 109.306 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 1.04 HD11 ' CE1' ' A' ' 60' ' ' PHE . 15.0 mm -60.61 -30.4 46.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 74.049999999999997 109.237 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 7.4 tpp85 -83.62 -3.44 57.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.397 1.061 . . . . 63.25 110.331 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.569 ' HD2' ' CE1' ' A' ' 62' ' ' TYR . 6.3 mttp -93.38 -49.1 6.1 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.522 1.138 . . . . 71.450000000000003 109.327 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 2.5 mmp_? -49.86 -66.14 0.44 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.541 1.151 . . . . 74.150000000000006 110.359 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.512 ' O ' ' CG ' ' A' ' 69' ' ' MET . 5.9 pt -73.68 -4.46 5.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.151 . . . . 74.209999999999994 109.231 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.512 ' CG ' ' O ' ' A' ' 68' ' ' ILE . 2.7 ptt? 42.97 44.05 3.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 64.340000000000003 110.935 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.448 HD12 ' HA ' ' A' ' 70' ' ' LEU . 5.0 tp -50.36 141.03 16.86 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.663 1.227 . . . . 62.43 109.294 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 167.8 26.23 Favored 'Trans proline' 0 C--N 1.361 1.213 0 O-C-N 124.392 1.733 . . . . 75.310000000000002 110.998 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 0.77 8.53 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.525 1.803 . . . . 73.310000000000002 110.996 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -97.99 2.64 49.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.143 . . . . 75.109999999999999 110.292 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -125.19 -178.94 4.37 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.514 1.134 . . . . 74.239999999999995 109.322 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -140.03 174.56 10.39 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.564 1.165 . . . . 54.009999999999998 109.318 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.783 ' CG2' HG13 ' A' ' 61' ' ' VAL . 1.2 tt -159.36 128.41 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.565 1.165 . . . . 71.129999999999995 109.315 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.751 ' HB3' HD11 ' A' ' 84' ' ' LEU . 58.6 m-85 -126.8 133.36 50.82 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.515 1.135 . . . . 70.230000000000004 110.98 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.598 HG23 ' CG2' ' A' ' 107' ' ' VAL . 5.2 mm -85.36 128.21 39.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.579 1.174 . . . . 70.040000000000006 109.328 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' PHE . . . . . 0.593 ' CE2' ' O ' ' A' ' 114' ' ' THR . 4.0 m-85 -118.76 120.21 36.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 63.119999999999997 110.999 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.622 HG22 ' OD1' ' A' ' 81' ' ' ASN . 9.1 p -121.39 106.33 18.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.384 1.052 . . . . 75.209999999999994 109.284 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' ASN . . . . . 0.622 ' OD1' HG22 ' A' ' 80' ' ' VAL . 6.4 m120 73.31 34.32 1.02 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 74.420000000000002 109.339 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 67.04 10.98 8.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 75.129999999999995 109.262 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.514 ' O ' ' CG2' ' A' ' 83' ' ' THR . 0.5 OUTLIER -121.71 110.8 16.39 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 74.25 110.417 -179.958 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.751 HD11 ' HB3' ' A' ' 77' ' ' PHE . 0.5 OUTLIER -73.66 113.91 27.22 Favored Pre-proline 0 C--N 1.326 -0.416 0 O-C-N 124.546 1.154 . . . . 64.219999999999999 109.311 -179.949 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 162.72 36.73 Favored 'Trans proline' 0 C--N 1.361 1.218 0 O-C-N 124.529 1.805 . . . . 73.140000000000001 111.012 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' PRO . . . . . 0.655 ' HG2' ' HB2' ' A' ' 89' ' ' ALA . 18.5 Cg_endo -75.02 -165.29 0.28 Allowed 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.455 1.766 . . . . 70.439999999999998 110.984 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 2.3 p -97.26 -34.37 11.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.14 . . . . 62.409999999999997 110.378 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -86.05 12.99 8.36 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 71.439999999999998 109.349 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 1.003 ' HB1' HD11 ' A' ' 94' ' ' ILE . . . -83.04 61.67 6.15 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.511 1.132 . . . . 73.430000000000007 109.214 -179.863 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.595 ' C ' ' O ' ' A' ' 89' ' ' ALA . 0.5 OUTLIER -23.73 117.09 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.59 1.181 . . . . 71.209999999999994 109.32 179.955 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 91' ' ' MET . . . . . 0.709 ' HE2' HG21 ' A' ' 51' ' ' VAL . 46.4 mmm -47.85 -22.93 0.63 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.397 1.061 . . . . 71.209999999999994 110.975 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' SER . . . . . 0.509 ' HB2' ' HB1' ' A' ' 53' ' ' ALA . 0.1 OUTLIER -69.92 -41.81 74.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.128 . . . . 61.219999999999999 110.055 179.913 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -81.7 -7.9 59.64 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.462 1.101 . . . . 70.439999999999998 109.329 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 1.003 HD11 ' HB1' ' A' ' 89' ' ' ALA . 21.2 mm -87.19 -49.03 15.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.115 . . . . 61.530000000000001 109.238 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 95' ' ' TYR . . . . . 0.851 ' CD2' HD23 ' A' ' 105' ' ' LEU . 7.8 t80 -69.97 -6.11 30.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 52.140000000000001 111.033 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 96' ' ' GLN . . . . . 0.451 ' O ' ' CG ' ' A' ' 96' ' ' GLN . 4.5 tp60 -101.64 -9.72 20.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.577 1.173 . . . . 73.329999999999998 110.244 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -118.69 -9.3 10.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 70.129999999999995 110.277 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' HIS . . . . . 0.407 ' HB2' HD11 ' A' ' 105' ' ' LEU . 32.4 m170 -128.28 17.54 6.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.445 1.09 . . . . 62.030000000000001 109.51 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.482 ' HB3' ' O ' ' A' ' 95' ' ' TYR . 0.0 OUTLIER -56.38 159.58 3.56 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.484 1.115 . . . . 60.420000000000002 109.298 179.973 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -127.9 173.48 9.97 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 64.510000000000005 109.327 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -60.88 -29.73 69.72 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.528 1.142 . . . . 74.239999999999995 109.214 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -86.58 -14.66 42.19 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.434 1.084 . . . . 52.350000000000001 109.297 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' GLY . . . . . 0.576 ' O ' ' CE2' ' A' ' 95' ' ' TYR . . . 87.71 -39.27 3.11 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.515 1.134 . . . . 42.140000000000001 111.003 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 104' ' ' PHE . . . . . 0.594 ' CD2' ' OG ' ' A' ' 18' ' ' SER . 9.5 m-85 -60.1 117.52 5.22 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.554 0.796 . . . . 73.230000000000004 111.048 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.851 HD23 ' CD2' ' A' ' 95' ' ' TYR . 0.2 OUTLIER -61.62 160.78 10.84 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.535 1.147 . . . . 74.420000000000002 109.294 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 106' ' ' TYR . . . . . 0.532 ' CE1' ' NZ ' ' A' ' 6' ' ' LYS . 52.4 m-85 -137.72 116.3 12.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.583 1.177 . . . . 64.400000000000006 110.921 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.642 HG23 ' N ' ' A' ' 108' ' ' THR . 1.7 m -122.9 174.58 6.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.545 1.153 . . . . 71.319999999999993 109.342 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 108' ' ' THR . . . . . 0.665 HG23 ' HB3' ' A' ' 34' ' ' GLU . 1.1 m -148.97 106.89 3.69 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.512 1.132 . . . . 74.209999999999994 110.356 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 109' ' ' TYR . . . . . 0.726 ' CD1' HD11 ' A' ' 76' ' ' ILE . 14.8 p90 -94.81 122.42 37.41 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.593 1.183 . . . . 63.539999999999999 111.029 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -136.06 154.22 51.1 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.436 1.085 . . . . 73.5 109.959 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -77.7 2.13 64.77 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.531 1.144 . . . . 54.340000000000003 110.962 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -121.56 135.05 55.03 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.465 0.744 . . . . 65.25 110.321 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 20.4 t-20 -85.9 49.65 1.82 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.462 1.101 . . . . 71.129999999999995 109.302 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 114' ' ' THR . . . . . 0.689 HG22 ' H ' ' A' ' 115' ' ' PHE . 4.3 m -122.23 -171.82 2.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 73.219999999999999 110.396 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 115' ' ' PHE . . . . . 0.689 ' H ' HG22 ' A' ' 114' ' ' THR . 2.9 p90 -113.45 97.29 6.37 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.411 1.069 . . . . 74.329999999999998 111.029 -179.898 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.928 0 O-C-N 124.419 1.074 . . . . 63.520000000000003 111.016 -179.89 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 597' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.056 0 N-CA-C 110.99 -0.844 . . . . 75.340000000000003 110.99 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 598' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 177.84 8.07 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.527 1.803 . . . . 62.549999999999997 111.02 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 599' ' ' HIS . . . . . . . . . . . . . 2.3 t-80 -153.3 175.56 12.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 61.329999999999998 109.563 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 600' ' ' MET . . . . . 0.897 ' C ' HD13 ' B' ' 601' ' ' ILE . 0.0 OUTLIER -119.43 159.77 23.61 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.468 1.105 . . . . 71.310000000000002 111.004 179.903 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 601' ' ' ILE . . . . . 0.897 HD13 ' C ' ' B' ' 600' ' ' MET . 1.9 mm -117.48 155.42 19.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 72.439999999999998 109.323 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 602' ' ' SER . . . . . . . . . . . . . 3.9 m 178.63 149.35 0.22 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.555 1.159 . . . . 55.439999999999998 109.978 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 603' ' ' GLY . . . . . . . . . . . . . . . 62.5 137.27 0.01 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.543 1.152 . . . . 71.310000000000002 110.995 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 604' ' ' LEU . . . . . 0.944 HD12 ' HE3' ' B' ' 608' ' ' LYS . 1.9 tp -120.87 87.15 2.7 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.444 0.732 . . . . 63.329999999999998 109.322 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 605' ' ' SER . . . . . . . . . . . . . 80.5 p -112.75 -29.46 7.41 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.462 1.101 . . . . 73.049999999999997 109.986 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 606' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -144.12 -172.07 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.509 1.131 . . . . 74.109999999999999 109.288 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 607' ' ' ILE . . . . . . . . . . . . . 42.7 mm -57.31 155.23 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.424 1.077 . . . . 71.450000000000003 109.317 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 608' ' ' LYS . . . . . 0.944 ' HE3' HD12 ' B' ' 604' ' ' LEU . 0.0 OUTLIER -106.09 115.2 29.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.552 1.158 . . . . 71.519999999999996 109.31 -179.954 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 609' ' ' GLN . . . . . . . . . . . . . 11.9 mt-30 -121.13 -2.26 9.67 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.527 1.142 . . . . 75.510000000000005 110.259 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 610' ' ' GLU . . . . . 0.893 ' HB2' HD12 ' B' ' 601' ' ' ILE . 63.6 mm-40 -70.99 -173.68 0.84 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.471 1.107 . . . . 74.310000000000002 110.347 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 611' ' ' VAL . . . . . 0.538 ' C ' HD11 ' B' ' 601' ' ' ILE . 0.1 OUTLIER -120.5 127.48 75.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.435 1.084 . . . . 74.530000000000001 109.315 179.971 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 612' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -108.03 -56.17 2.27 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.454 1.096 . . . . 72.219999999999999 110.283 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 613' ' ' ARG . . . . . 0.446 ' NH1' ' O ' ' A' ' 45' ' ' ASP . 0.9 OUTLIER -117.89 -9.84 10.55 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 71.310000000000002 110.291 179.969 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 614' ' ' LEU . . . . . 0.959 HD12 ' HG2' ' A' ' 8' ' ' GLU . 0.5 OUTLIER -110.18 -172.5 2.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 75.010000000000005 109.381 179.899 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 615' ' ' GLY . . . . . 0.407 ' N ' ' HG2' ' B' ' 620' ' ' GLU . . . -143.76 -164.95 10.61 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.568 1.168 . . . . 55.229999999999997 111.032 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 616' ' ' ASN . . . . . . . . . . . . . 18.7 t30 -40.41 -40.88 1.28 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 0.76 . . . . 73.319999999999993 109.283 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 617' ' ' ASP . . . . . 0.444 ' C ' ' N ' ' B' ' 619' ' ' PHE . 19.5 m-20 -108.61 124.64 50.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.607 1.192 . . . . 64.209999999999994 109.245 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 618' ' ' VAL . . . . . 0.535 HG12 ' CE1' ' A' ' 9' ' ' TYR . 0.2 OUTLIER -40.53 -29.85 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.448 1.093 . . . . 73.239999999999995 109.286 179.932 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 619' ' ' PHE . . . . . 0.444 ' N ' ' C ' ' B' ' 617' ' ' ASP . 12.5 m-30 -102.77 89.83 3.61 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.152 . . . . 72.230000000000004 110.992 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 620' ' ' GLU . . . . . 0.447 ' CD ' ' N ' ' B' ' 621' ' ' TRP . 1.9 pp20? -123.76 -41.72 2.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 53.420000000000002 110.285 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 621' ' ' TRP . . . . . 0.563 ' CZ2' ' HE3' ' A' ' 46' ' ' LYS . 2.2 p90 -66.66 171.67 4.94 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 107.955 -1.128 . . . . 73.319999999999993 107.955 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 622' ' ' GLU . . . . . 0.41 ' O ' ' CG ' ' B' ' 623' ' ' ASP . 13.2 pt-20 -48.15 176.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 64.150000000000006 110.302 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 623' ' ' ASP . . . . . 0.455 ' OD1' ' NE1' ' B' ' 621' ' ' TRP . 4.1 p30 45.7 48.09 11.61 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.625 1.203 . . . . 72.319999999999993 109.307 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 624' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -40.89 -69.86 0.12 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.438 1.086 . . . . 63.210000000000001 109.276 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 625' ' ' GLU . . . . . 0.41 ' O ' ' C ' ' B' ' 626' ' ' SER . 0.4 OUTLIER -121.46 3.64 10.22 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.475 1.11 . . . . 75.099999999999994 110.33 179.956 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 626' ' ' SER . . . . . 0.41 ' C ' ' O ' ' B' ' 625' ' ' GLU . 5.1 p -37.75 147.35 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.474 1.109 . . . . 72.439999999999998 110.09 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 627' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -80.41 2.56 24.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.408 1.068 . . . . 61.450000000000003 109.293 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 628' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -60.79 -19.4 59.36 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.54 1.15 . . . . 70.040000000000006 110.26 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 629' ' ' ILE . . . . . 0.491 ' C ' ' CD1' ' B' ' 629' ' ' ILE . 0.6 OUTLIER -91.99 31.94 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 61.409999999999997 109.255 -179.952 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 630' ' ' ALA . . . . . 0.823 ' HB1' HD13 ' A' ' 55' ' ' LEU . . . . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.484 1.115 . . . . 73.25 109.278 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 0' ' ' HIS . . . . . . . . . . . . . 3.0 p80 . . . . . 0 N--CA 1.452 -0.344 0 N-CA-C 109.609 -0.515 . . . . 72.510000000000005 109.609 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 71.7 mtp -76.85 -177.91 4.6 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.538 1.149 . . . . 71.219999999999999 111.009 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.411 ' NZ ' ' HB3' ' A' ' 37' ' ' GLU . 19.9 mttt -135.62 -49.55 0.71 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.592 1.183 . . . . 64.099999999999994 109.274 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.468 ' OG ' ' CZ ' ' A' ' 47' ' ' ARG . 49.8 m -75.42 136.29 40.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 61.210000000000001 110.071 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.466 ' OG1' ' N ' ' A' ' 5' ' ' PHE . 6.0 p -127.48 -58.69 1.25 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.536 1.148 . . . . 74.439999999999998 110.413 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.766 ' CZ ' HG12 ' B' ' 618' ' ' VAL . 83.4 t80 -81.66 -15.89 53.1 Favored 'General case' 0 C--N 1.323 -0.577 0 O-C-N 124.572 1.17 . . . . 75.109999999999999 110.989 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.701 ' HB3' HH21 ' A' ' 47' ' ' ARG . 0.1 OUTLIER -101.1 -28.96 12.41 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.597 1.186 . . . . 72.109999999999999 109.32 179.955 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -81.36 4.79 19.49 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.551 1.157 . . . . 63.350000000000001 109.894 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.483 ' OE1' HD12 ' B' ' 614' ' ' LEU . 51.5 tt0 -81.86 -58.74 2.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.564 1.165 . . . . 75.049999999999997 110.322 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.614 ' OH ' ' CZ ' ' A' ' 5' ' ' PHE . 1.3 p90 -120.45 165.78 17.32 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.443 1.089 . . . . 62.130000000000003 110.967 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 179.48 6.05 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.49 1.784 . . . . 44.439999999999998 111.027 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.459 ' CE2' ' HB3' ' A' ' 102' ' ' ASP . 2.9 t80 -68.8 -43.73 75.03 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.456 1.097 . . . . 73.120000000000005 110.968 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -58.05 -16.0 11.31 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.425 1.078 . . . . 72.25 110.269 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 6.4 tppt? -95.72 -48.0 5.96 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.594 1.184 . . . . 72.310000000000002 109.365 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.662 ' NH1' ' CE1' ' A' ' 104' ' ' PHE . 0.0 OUTLIER -64.2 -24.44 67.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.455 1.097 . . . . 72.400000000000006 110.326 179.975 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.412 ' N ' ' HG3' ' A' ' 14' ' ' ARG . 53.5 pttt -74.14 -44.31 54.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.587 1.179 . . . . 63.020000000000003 109.358 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -57.28 -22.0 38.59 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.445 1.091 . . . . 52.130000000000003 109.264 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.405 ' HA ' ' OE1' ' A' ' 17' ' ' GLU . 5.1 tp10 -72.51 -47.59 47.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.096 . . . . 64.25 110.317 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.509 ' HB3' ' CE1' ' A' ' 104' ' ' PHE . 11.3 p -68.03 -11.36 58.81 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.538 1.149 . . . . 73.400000000000006 109.947 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -77.48 -26.09 51.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.564 1.165 . . . . 72.310000000000002 110.298 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 54.4 mtm180 -101.96 -33.68 9.65 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.479 1.112 . . . . 74.030000000000001 110.292 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 6.9 mt -59.82 -22.07 23.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.65 1.219 . . . . 70.129999999999995 109.318 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -77.95 -22.42 49.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 53.32 109.398 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -95.87 -14.15 23.4 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 74.040000000000006 109.341 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.421 ' CZ ' ' CZ ' ' A' ' 25' ' ' PHE . 10.1 mtm180 -97.67 -59.66 1.73 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 72.200000000000003 110.343 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.421 ' CZ ' ' CZ ' ' A' ' 24' ' ' ARG . 3.5 m-85 -126.15 85.3 59.98 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 64.319999999999993 111.045 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -26.81 10.67 Favored 'Trans proline' 0 C--N 1.359 1.102 0 O-C-N 124.528 1.804 . . . . 74.200000000000003 111.002 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 12.0 p30 -92.07 36.06 0.98 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.534 1.146 . . . . 72.439999999999998 109.323 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.553 ' HB3' HD11 ' A' ' 50' ' ' LEU . 4.1 mmt85 -122.54 175.78 6.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 75.129999999999995 110.254 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.654 HG23 ' CB ' ' A' ' 95' ' ' TYR . 28.3 mm -144.51 96.41 5.24 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 73.209999999999994 109.282 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.448 ' O ' ' HB2' ' A' ' 105' ' ' LEU . 18.6 Cg_endo -75.05 142.34 27.58 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.463 1.77 . . . . 64.019999999999996 111.029 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.859 HG23 ' HB3' ' A' ' 105' ' ' LEU . 6.3 p -161.58 147.35 4.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.13 . . . . 75.340000000000003 109.304 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.739 HG23 ' O ' ' A' ' 47' ' ' ARG . 16.0 mm -113.12 114.61 47.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.485 1.116 . . . . 65.239999999999995 109.296 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.462 ' SG ' HG22 ' A' ' 107' ' ' VAL . 1.2 t -89.17 143.99 26.44 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 43.200000000000003 108.285 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.98 ' HB3' HG23 ' A' ' 108' ' ' THR . 49.2 tt0 -133.22 154.22 50.85 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.462 1.101 . . . . 74.129999999999995 110.287 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.572 ' HG2' ' CE2' ' A' ' 109' ' ' TYR . 0.0 OUTLIER -99.24 125.43 44.85 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.474 1.109 . . . . 74.109999999999999 109.291 179.979 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.794 ' HB1' ' C ' ' A' ' 116' ' ' GLY . . . -60.73 142.29 56.01 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.541 1.151 . . . . 61.539999999999999 109.293 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.425 ' CG ' ' N ' ' A' ' 38' ' ' LYS . 14.8 pt-20 -68.02 -52.64 33.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.462 1.101 . . . . 72.099999999999994 110.258 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.559 ' HZ3' ' HA2' ' A' ' 116' ' ' GLY . 40.1 mttp -55.62 -35.71 66.17 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.546 1.154 . . . . 70.129999999999995 109.276 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.618 ' HB2' ' HB3' ' A' ' 36' ' ' ALA . 8.6 t -39.36 156.23 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.451 1.094 . . . . 61.219999999999999 109.986 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -116.09 10.24 14.96 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.543 1.152 . . . . 65.120000000000005 109.271 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.56 HD11 ' CE2' ' A' ' 109' ' ' TYR . 0.1 OUTLIER -91.28 164.24 25.7 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.447 1.092 . . . . 75.430000000000007 109.376 179.952 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 129.79 12.67 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.484 1.781 . . . . 64.400000000000006 111.002 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -49.24 171.07 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.625 1.203 . . . . 74.430000000000007 110.319 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.507 HD12 ' OH ' ' A' ' 49' ' ' TYR . 3.5 tt -102.77 163.59 3.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.109 . . . . 73.530000000000001 109.301 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.447 ' N ' ' CG1' ' A' ' 44' ' ' ILE . 0.9 OUTLIER -54.77 -59.67 4.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 74.129999999999995 109.377 179.981 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.649 ' NZ ' ' CZ2' ' B' ' 621' ' ' TRP . 0.0 OUTLIER -150.06 178.52 8.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 72.310000000000002 109.321 179.936 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.739 ' O ' HG23 ' A' ' 32' ' ' ILE . 2.7 mtm180 -107.87 93.38 4.51 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.505 1.128 . . . . 73.310000000000002 110.308 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.53 ' HB2' ' CD2' ' A' ' 5' ' ' PHE . 1.1 tptt -168.2 123.62 0.99 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.558 1.161 . . . . 65.409999999999997 109.269 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.698 ' CE2' HD13 ' A' ' 64' ' ' ILE . 33.5 m-85 -149.37 110.57 4.4 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.551 1.157 . . . . 72.340000000000003 111.009 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.553 HD11 ' HB3' ' A' ' 28' ' ' ARG . 12.1 tp -103.0 76.67 1.49 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.148 . . . . 74.329999999999998 109.296 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.939 HG21 ' SD ' ' A' ' 91' ' ' MET . 5.9 m -76.55 153.12 83.6 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.12 . . . . 63.399999999999999 109.287 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -178.39 4.14 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.476 1.777 . . . . 72.439999999999998 110.96 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -92.73 18.02 9.48 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.453 1.096 . . . . 72.450000000000003 109.293 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -119.98 -38.73 2.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.544 1.153 . . . . 72.409999999999997 109.242 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.854 HD23 ' HB1' ' B' ' 630' ' ' ALA . 0.0 OUTLIER -58.29 133.52 55.76 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.448 1.092 . . . . 73.349999999999994 109.324 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.511 ' N ' HD12 ' A' ' 55' ' ' LEU . 0.1 OUTLIER -98.86 -170.72 1.97 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.44 1.088 . . . . 33.539999999999999 110.412 179.959 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 2.8 t -75.4 -62.98 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 60.439999999999998 109.289 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -53.48 -18.51 7.52 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.598 1.186 . . . . 73.230000000000004 111.032 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.538 ' HB2' ' CD1' ' A' ' 55' ' ' LEU . 31.5 mt-30 -97.22 -24.98 15.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.544 0.79 . . . . 74.530000000000001 110.276 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.623 ' CZ ' HD11 ' A' ' 64' ' ' ILE . 34.3 t80 -69.05 -36.86 78.17 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.458 1.099 . . . . 73.030000000000001 111.042 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.741 HG13 ' CG2' ' A' ' 76' ' ' ILE . 94.2 t -56.43 -45.44 81.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 73.010000000000005 109.308 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.592 ' CD1' ' O ' ' A' ' 62' ' ' TYR . 0.1 OUTLIER -45.92 -25.58 0.56 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.551 1.157 . . . . 74.540000000000006 111.025 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.815 HG21 ' C ' ' B' ' 630' ' ' ALA . 54.4 t -86.65 -36.75 10.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 O-C-N 124.594 1.184 . . . . 65.319999999999993 109.215 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.698 HD13 ' CE2' ' A' ' 49' ' ' TYR . 35.4 mm -64.56 -45.7 94.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.561 1.163 . . . . 74.049999999999997 109.306 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.474 ' CD ' ' HB3' ' A' ' 70' ' ' LEU . 6.2 tpp85 -68.07 -8.3 36.73 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.477 1.111 . . . . 63.25 110.237 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.574 ' HD2' ' CE1' ' A' ' 62' ' ' TYR . 9.2 mttp -88.73 -40.2 13.41 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.447 1.092 . . . . 71.450000000000003 109.321 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -59.23 -39.93 84.31 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.552 1.158 . . . . 74.150000000000006 110.323 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.449 HD11 ' CD1' ' A' ' 76' ' ' ILE . 2.8 pt -104.29 3.15 10.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.528 1.143 . . . . 74.209999999999994 109.301 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.419 ' CG ' ' O ' ' A' ' 68' ' ' ILE . 3.7 ptp 40.71 29.09 0.06 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.445 1.09 . . . . 64.340000000000003 111.001 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.474 ' HB3' ' CD ' ' A' ' 65' ' ' ARG . 5.6 tp -49.29 140.34 12.95 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 62.43 109.32 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.435 ' HD3' ' HA ' ' A' ' 70' ' ' LEU . 18.6 Cg_endo -74.89 170.3 20.7 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.463 1.77 . . . . 75.310000000000002 111.101 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 -1.73 11.61 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.441 1.758 . . . . 73.310000000000002 111.046 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -83.95 -0.04 49.83 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.452 1.095 . . . . 75.109999999999999 110.247 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 18.4 mttp -127.41 -178.96 4.66 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.485 1.116 . . . . 74.239999999999995 109.27 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -138.05 163.67 31.02 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.434 1.084 . . . . 54.009999999999998 109.339 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.741 ' CG2' HG13 ' A' ' 61' ' ' VAL . 2.3 tt -154.31 134.47 4.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.432 1.083 . . . . 71.129999999999995 109.316 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.721 ' HB3' HD11 ' A' ' 84' ' ' LEU . 31.3 m-85 -133.68 135.1 43.86 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.584 1.177 . . . . 70.230000000000004 110.939 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.6 ' CG2' HG21 ' A' ' 107' ' ' VAL . 3.6 mm -86.57 121.93 38.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 70.040000000000006 109.211 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' PHE . . . . . 0.597 ' CE2' ' O ' ' A' ' 114' ' ' THR . 4.9 m-85 -112.88 125.04 53.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 63.119999999999997 110.951 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.407 ' O ' HG22 ' A' ' 83' ' ' THR . 2.1 t -120.09 109.47 26.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.496 1.123 . . . . 75.209999999999994 109.327 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' ASN . . . . . 0.487 ' O ' ' CB ' ' A' ' 82' ' ' ASP . 2.4 m120 70.44 17.95 6.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.13 . . . . 74.420000000000002 109.301 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' ASP . . . . . 0.487 ' CB ' ' O ' ' A' ' 81' ' ' ASN . 3.2 m-20 80.66 27.22 0.25 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 75.129999999999995 109.298 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.487 ' O ' ' CG2' ' A' ' 83' ' ' THR . 0.6 OUTLIER -136.6 113.82 10.69 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.454 1.096 . . . . 74.25 110.335 -179.952 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.721 HD11 ' HB3' ' A' ' 77' ' ' PHE . 0.3 OUTLIER -73.79 113.88 27.18 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.484 1.115 . . . . 64.219999999999999 109.292 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 170.59 20.08 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.505 1.792 . . . . 73.140000000000001 110.977 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' PRO . . . . . 0.654 ' HD2' ' HB2' ' A' ' 89' ' ' ALA . 18.3 Cg_endo -75.09 -169.32 0.62 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.554 1.818 . . . . 70.439999999999998 110.935 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 3.9 p -93.87 -34.13 13.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.56 1.163 . . . . 62.409999999999997 110.354 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -84.38 8.76 15.13 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.549 1.155 . . . . 71.439999999999998 109.273 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.988 ' HB1' HD11 ' A' ' 94' ' ' ILE . . . -75.72 61.02 1.34 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 73.430000000000007 109.308 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.531 ' C ' ' O ' ' A' ' 89' ' ' ALA . 0.4 OUTLIER -29.69 117.61 0.13 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.589 1.181 . . . . 71.209999999999994 109.321 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 91' ' ' MET . . . . . 0.939 ' SD ' HG21 ' A' ' 51' ' ' VAL . 0.5 OUTLIER -36.62 -31.18 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.54 1.15 . . . . 71.209999999999994 110.962 -179.923 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 92' ' ' SER . . . . . 0.469 ' N ' ' O ' ' A' ' 90' ' ' LEU . 1.5 t -64.69 -56.81 11.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 61.219999999999999 110.033 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.412 ' N ' ' O ' ' A' ' 90' ' ' LEU . . . -60.97 -15.06 27.23 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.52 1.138 . . . . 70.439999999999998 109.275 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.988 HD11 ' HB1' ' A' ' 89' ' ' ALA . 28.0 mm -90.27 -37.75 10.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 61.530000000000001 109.321 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 95' ' ' TYR . . . . . 0.654 ' CB ' HG23 ' A' ' 29' ' ' ILE . 5.9 t80 -79.07 -4.24 49.23 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 52.140000000000001 111.017 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 96' ' ' GLN . . . . . 0.459 ' O ' ' CG ' ' A' ' 96' ' ' GLN . 6.8 tp60 -104.41 -9.17 18.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.546 1.154 . . . . 73.329999999999998 110.264 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -120.69 -7.06 9.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.566 1.166 . . . . 70.129999999999995 110.294 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' HIS . . . . . 0.687 ' HB2' HD11 ' A' ' 105' ' ' LEU . 36.4 m170 -123.94 11.78 9.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.443 1.089 . . . . 62.030000000000001 109.578 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.514 ' HB3' ' O ' ' A' ' 95' ' ' TYR . 0.1 OUTLIER -64.94 154.87 36.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.146 . . . . 60.420000000000002 109.28 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 100' ' ' ASP . . . . . 0.438 ' O ' ' N ' ' A' ' 103' ' ' GLY . 1.2 m-20 -120.97 175.46 6.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.449 1.093 . . . . 64.510000000000005 109.342 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 12.9 mtpt -48.59 -38.27 20.28 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.551 1.157 . . . . 74.239999999999995 109.29 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' ASP . . . . . 0.459 ' HB3' ' CE2' ' A' ' 11' ' ' PHE . 2.0 p30 -76.55 -28.96 56.49 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.491 1.119 . . . . 52.350000000000001 109.279 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 103' ' ' GLY . . . . . 0.438 ' N ' ' O ' ' A' ' 100' ' ' ASP . . . 104.96 -39.27 2.9 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.475 1.109 . . . . 42.140000000000001 111.011 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 104' ' ' PHE . . . . . 0.662 ' CE1' ' NH1' ' A' ' 14' ' ' ARG . 9.7 m-85 -55.41 142.49 32.34 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.528 0.781 . . . . 73.230000000000004 110.92 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.859 ' HB3' HG23 ' A' ' 31' ' ' VAL . 0.2 OUTLIER -85.09 161.95 19.48 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.534 1.146 . . . . 74.420000000000002 109.218 -179.969 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 57.1 m-85 -145.53 107.26 4.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 64.400000000000006 110.962 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.7 HG23 ' N ' ' A' ' 108' ' ' THR . 1.9 m -117.34 179.55 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.413 1.071 . . . . 71.319999999999993 109.361 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 108' ' ' THR . . . . . 0.98 HG23 ' HB3' ' A' ' 34' ' ' GLU . 0.7 OUTLIER -152.52 112.32 3.96 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 74.209999999999994 110.404 179.965 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 109' ' ' TYR . . . . . 0.69 ' CD2' HD11 ' A' ' 76' ' ' ILE . 25.9 p90 -94.89 132.57 39.57 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.406 1.066 . . . . 63.539999999999999 111.065 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 110' ' ' SER . . . . . 0.512 ' OG ' ' HB2' ' A' ' 36' ' ' ALA . 0.7 OUTLIER -131.9 152.52 50.99 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.414 1.071 . . . . 73.5 110.024 179.956 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 111' ' ' GLY . . . . . 0.466 ' HA3' ' CG2' ' A' ' 41' ' ' ILE . . . -60.6 -46.18 94.91 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.518 1.136 . . . . 54.340000000000003 110.957 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 24.0 pt-20 -90.13 161.33 15.82 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.517 0.774 . . . . 65.25 110.261 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 113' ' ' ASN . . . . . 0.425 ' O ' ' ND2' ' A' ' 113' ' ' ASN . 28.6 t30 -89.06 45.03 1.25 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 71.129999999999995 109.302 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 114' ' ' THR . . . . . 0.682 HG22 ' H ' ' A' ' 115' ' ' PHE . 4.9 m -118.51 -173.38 2.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.551 1.157 . . . . 73.219999999999999 110.452 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 115' ' ' PHE . . . . . 0.682 ' H ' HG22 ' A' ' 114' ' ' THR . 5.0 p90 -111.03 97.03 6.51 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.421 1.076 . . . . 74.329999999999998 110.982 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 116' ' ' GLY . . . . . 0.794 ' C ' ' HB1' ' A' ' 36' ' ' ALA . . . . . . . . 0 CA--C 1.53 0.999 0 O-C-N 124.549 1.156 . . . . 63.520000000000003 110.99 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 597' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.937 0 N-CA-C 111.098 -0.801 . . . . 75.340000000000003 111.098 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 598' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 177.3 8.76 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.458 1.767 . . . . 62.549999999999997 110.988 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 599' ' ' HIS . . . . . . . . . . . . . 29.9 m170 -118.76 146.67 44.6 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.111 . . . . 61.329999999999998 109.582 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 600' ' ' MET . . . . . . . . . . . . . 2.2 tpt -129.0 21.85 5.78 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.44 1.087 . . . . 71.310000000000002 111.036 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 601' ' ' ILE . . . . . 0.622 HD12 ' CD ' ' B' ' 610' ' ' GLU . 9.8 mm -61.3 109.75 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.439 1.087 . . . . 72.439999999999998 109.36 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 602' ' ' SER . . . . . . . . . . . . . 41.2 p -176.11 116.78 0.13 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.108 . . . . 55.439999999999998 109.968 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 603' ' ' GLY . . . . . . . . . . . . . . . 133.18 -91.52 0.26 Allowed Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.487 1.117 . . . . 71.310000000000002 110.991 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 604' ' ' LEU . . . . . 0.768 HD21 ' OE1' ' B' ' 609' ' ' GLN . 11.4 tp -40.53 120.17 1.21 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.454 0.738 . . . . 63.329999999999998 109.282 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 605' ' ' SER . . . . . . . . . . . . . 1.4 p -102.26 -23.99 13.94 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.623 1.202 . . . . 73.049999999999997 109.93 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 606' ' ' VAL . . . . . 0.733 HG12 HD11 ' B' ' 604' ' ' LEU . 2.3 p -65.42 -173.57 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.545 1.153 . . . . 74.109999999999999 109.304 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 607' ' ' ILE . . . . . 0.725 ' H ' HG22 ' B' ' 606' ' ' VAL . 8.1 mm -40.54 132.38 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.427 1.079 . . . . 71.450000000000003 109.293 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 608' ' ' LYS . . . . . . . . . . . . . 11.9 ptpt -61.72 95.47 0.05 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.142 . . . . 71.519999999999996 109.371 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 609' ' ' GLN . . . . . 0.768 ' OE1' HD21 ' B' ' 604' ' ' LEU . 4.7 mp0 -82.99 -1.42 52.55 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 75.510000000000005 110.31 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 610' ' ' GLU . . . . . 0.622 ' CD ' HD12 ' B' ' 601' ' ' ILE . 53.0 mm-40 -46.46 172.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.573 1.171 . . . . 74.310000000000002 110.277 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 611' ' ' VAL . . . . . 0.739 HG23 ' O ' ' B' ' 611' ' ' VAL . 11.9 m -113.24 78.72 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.494 1.121 . . . . 74.530000000000001 109.328 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 612' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -43.78 -57.22 3.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 72.219999999999999 110.292 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 613' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.37 -44.43 0.92 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.481 1.113 . . . . 71.310000000000002 110.294 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 614' ' ' LEU . . . . . 0.535 ' O ' HD12 ' B' ' 614' ' ' LEU . 1.4 pp -122.01 139.15 54.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.125 . . . . 75.010000000000005 109.23 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 615' ' ' GLY . . . . . 0.473 ' HA3' HG12 ' B' ' 611' ' ' VAL . . . -173.58 -38.37 0.04 OUTLIER Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.521 1.138 . . . . 55.229999999999997 110.959 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 616' ' ' ASN . . . . . . . . . . . . . 62.2 t30 -58.01 106.16 0.34 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.473 0.749 . . . . 73.319999999999993 109.286 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 617' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 59.9 25.46 14.59 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 64.209999999999994 109.357 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 618' ' ' VAL . . . . . 0.766 HG12 ' CZ ' ' A' ' 5' ' ' PHE . 2.1 t 59.81 17.8 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.547 1.155 . . . . 73.239999999999995 109.308 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 619' ' ' PHE . . . . . 0.496 ' CG ' ' O ' ' B' ' 618' ' ' VAL . 20.0 m-85 -168.11 116.52 0.74 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.1 . . . . 72.230000000000004 111.108 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 620' ' ' GLU . . . . . 0.437 ' CD ' ' N ' ' B' ' 621' ' ' TRP . 1.7 pp20? -129.66 -41.79 1.32 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 53.420000000000002 110.263 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 621' ' ' TRP . . . . . 0.649 ' CZ2' ' NZ ' ' A' ' 46' ' ' LYS . 0.5 OUTLIER -63.51 162.98 11.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 73.319999999999993 108.024 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 622' ' ' GLU . . . . . 0.599 ' O ' ' CD1' ' B' ' 621' ' ' TRP . 1.6 pt-20 -58.78 -174.49 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.415 1.072 . . . . 64.150000000000006 110.26 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 623' ' ' ASP . . . . . 0.401 ' CG ' ' CD ' ' B' ' 628' ' ' GLU . 1.9 m-20 62.12 50.75 3.85 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.42 1.075 . . . . 72.319999999999993 109.236 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 624' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -56.32 -65.8 0.54 Allowed 'General case' 0 C--N 1.323 -0.555 0 O-C-N 124.602 1.189 . . . . 63.210000000000001 109.272 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 625' ' ' GLU . . . . . 0.419 ' O ' ' C ' ' B' ' 626' ' ' SER . 1.1 pt-20 -115.09 4.49 14.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.45 1.094 . . . . 75.099999999999994 110.28 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 626' ' ' SER . . . . . 0.612 ' O ' HD11 ' B' ' 629' ' ' ILE . 11.1 t -37.73 155.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.45 1.094 . . . . 72.439999999999998 109.967 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 627' ' ' ASP . . . . . . . . . . . . . 14.5 p-10 -84.77 8.54 16.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.457 1.098 . . . . 61.450000000000003 109.303 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 628' ' ' GLU . . . . . 0.401 ' CD ' ' CG ' ' B' ' 623' ' ' ASP . 9.7 pt-20 -73.34 -8.88 57.75 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.432 1.083 . . . . 70.040000000000006 110.345 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 629' ' ' ILE . . . . . 0.612 HD11 ' O ' ' B' ' 626' ' ' SER . 1.4 pp -113.01 15.96 8.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.552 1.157 . . . . 61.409999999999997 109.247 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 630' ' ' ALA . . . . . 0.854 ' HB1' HD23 ' A' ' 55' ' ' LEU . . . . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 73.25 109.376 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 0' ' ' HIS . . . . . . . . . . . . . 6.2 p80 . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 109.625 -0.509 . . . . 72.510000000000005 109.625 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 17.5 mmt -88.92 -173.59 4.15 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.484 1.115 . . . . 71.219999999999999 111.056 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 39.2 mttp -135.29 -55.11 0.8 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.561 1.163 . . . . 64.099999999999994 109.322 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.411 ' OG ' ' NH1' ' A' ' 47' ' ' ARG . 49.6 m -65.47 174.45 2.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.559 1.162 . . . . 61.210000000000001 109.99 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.751 HG21 ' O ' ' A' ' 45' ' ' ASP . 63.9 p -137.37 -78.16 0.39 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.486 1.116 . . . . 74.439999999999998 110.357 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.579 ' CD2' ' HD2' ' A' ' 6' ' ' LYS . 25.8 t80 -47.8 -22.4 0.54 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.429 1.081 . . . . 75.109999999999999 110.951 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 1.007 ' HZ2' HG21 ' A' ' 32' ' ' ILE . 2.0 mptm? -93.79 -31.84 14.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.144 . . . . 72.109999999999999 109.283 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.452 ' N ' ' O ' ' A' ' 4' ' ' THR . 27.6 t -80.4 4.29 18.5 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.553 1.158 . . . . 63.350000000000001 110.115 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.48 ' CG ' ' O ' ' B' ' 614' ' ' LEU . 0.0 OUTLIER -85.23 -63.25 1.36 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 75.049999999999997 110.302 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.491 ' CD2' ' HE3' ' A' ' 13' ' ' LYS . 0.1 OUTLIER -127.37 174.21 4.54 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 62.130000000000003 111.041 179.942 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.442 ' O ' ' C ' ' A' ' 11' ' ' PHE . 18.1 Cg_endo -75.1 147.8 34.05 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.508 1.794 . . . . 44.439999999999998 111.002 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.539 ' CE1' ' HB3' ' A' ' 102' ' ' ASP . 0.6 OUTLIER -34.16 -56.05 0.5 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 73.120000000000005 110.961 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.505 ' N ' ' CD2' ' A' ' 11' ' ' PHE . 14.6 mp0 -41.6 -56.99 2.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 72.25 110.292 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.491 ' HE3' ' CD2' ' A' ' 9' ' ' TYR . 0.0 OUTLIER -37.81 -41.16 0.5 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.502 1.126 . . . . 72.310000000000002 109.281 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.754 HH21 ' HE3' ' A' ' 6' ' ' LYS . 11.2 mtp-105 -69.87 -50.64 40.56 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.584 1.177 . . . . 72.400000000000006 110.347 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.426 ' N ' ' O ' ' A' ' 12' ' ' GLU . 14.8 pttt -46.19 -41.38 12.63 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.453 1.096 . . . . 63.020000000000003 109.234 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -67.87 -35.63 78.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.589 1.181 . . . . 52.130000000000003 109.304 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.867 ' CD ' HG21 ' B' ' 618' ' ' VAL . 16.4 tp10 -65.58 -54.52 26.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.361 1.038 . . . . 64.25 110.292 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.7 t -56.89 -23.45 44.78 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 124.58 1.175 . . . . 73.400000000000006 110.002 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 -72.91 -33.33 65.91 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.449 1.093 . . . . 72.310000000000002 110.315 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 43.1 mtm180 -91.33 -24.86 19.67 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.534 1.146 . . . . 74.030000000000001 110.285 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.456 HD12 ' CZ ' ' A' ' 104' ' ' PHE . 11.8 mt -59.02 -22.03 20.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.429 1.081 . . . . 70.129999999999995 109.339 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -78.32 -24.09 46.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 53.32 109.288 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -88.89 -24.86 22.4 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 74.040000000000006 109.303 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.9 mtt180 -96.59 -61.96 1.34 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.425 1.078 . . . . 72.200000000000003 110.292 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.461 ' CZ ' ' HB3' ' B' ' 625' ' ' GLU . 2.9 m-85 -118.16 78.49 13.64 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.494 1.121 . . . . 64.319999999999993 111.035 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -36.43 2.57 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.534 1.807 . . . . 74.200000000000003 110.954 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 19.7 m-20 -90.42 40.0 0.99 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.463 1.102 . . . . 72.439999999999998 109.271 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.456 ' O ' HD13 ' A' ' 29' ' ' ILE . 6.4 mmt-85 -129.14 -178.74 4.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.146 . . . . 75.129999999999995 110.319 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.464 HG23 ' CB ' ' A' ' 95' ' ' TYR . 25.8 mm -141.5 99.51 6.35 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.526 1.142 . . . . 73.209999999999994 109.324 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.59 ' HA ' ' CD2' ' A' ' 50' ' ' LEU . 18.3 Cg_endo -74.94 121.42 6.59 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.499 1.789 . . . . 64.019999999999996 111.032 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.4 HG12 ' HB2' ' A' ' 105' ' ' LEU . 1.3 m -135.7 173.04 14.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.125 . . . . 75.340000000000003 109.322 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 1.007 HG21 ' HZ2' ' A' ' 6' ' ' LYS . 7.0 mm -134.63 103.23 4.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.605 1.191 . . . . 65.239999999999995 109.339 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.569 ' HB3' ' CE1' ' A' ' 49' ' ' TYR . 2.1 t -87.23 130.8 34.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.137 . . . . 43.200000000000003 108.274 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.408 ' HG3' ' NE ' ' A' ' 47' ' ' ARG . 6.9 tm-20 -145.34 162.33 37.5 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.369 1.043 . . . . 74.129999999999995 110.344 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.566 ' HZ3' ' HB3' ' A' ' 39' ' ' SER . 0.0 OUTLIER -101.44 133.25 46.36 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.489 1.118 . . . . 74.109999999999999 109.271 -179.968 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.41 ' HB3' ' OG ' ' A' ' 110' ' ' SER . . . -60.55 177.89 0.26 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.53 1.144 . . . . 61.539999999999999 109.263 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.449 ' CG ' ' N ' ' A' ' 38' ' ' LYS . 16.5 pt-20 -96.51 -50.76 4.61 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.469 1.106 . . . . 72.099999999999994 110.246 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.449 ' N ' ' CG ' ' A' ' 37' ' ' GLU . 53.5 mttm -53.73 -36.5 62.35 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.139 . . . . 70.129999999999995 109.343 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.566 ' HB3' ' HZ3' ' A' ' 35' ' ' LYS . 1.1 t -47.49 163.91 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 61.219999999999999 109.996 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 23.8 m-20 -127.8 23.31 6.21 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 65.120000000000005 109.293 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.589 HD11 ' CE2' ' A' ' 109' ' ' TYR . 0.1 OUTLIER -98.91 166.92 12.2 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.558 1.161 . . . . 75.430000000000007 109.347 179.969 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.773 ' O ' HG21 ' A' ' 68' ' ' ILE . 18.2 Cg_endo -75.01 112.43 3.56 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.514 1.797 . . . . 64.400000000000006 110.962 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.426 ' HG3' ' CB ' ' A' ' 35' ' ' LYS . 26.4 tt0 -59.21 163.3 3.86 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.524 1.14 . . . . 74.430000000000007 110.253 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.5 ' CD1' ' OH ' ' A' ' 49' ' ' TYR . 14.8 tt -83.09 169.66 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.151 . . . . 73.530000000000001 109.326 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.751 ' O ' HG21 ' A' ' 4' ' ' THR . 4.9 m-20 -71.43 -47.69 54.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.415 1.072 . . . . 74.129999999999995 109.265 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.569 ' HE3' ' CZ2' ' B' ' 621' ' ' TRP . 0.1 OUTLIER -143.36 162.35 35.96 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.146 . . . . 72.310000000000002 109.306 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.568 ' O ' HG23 ' A' ' 32' ' ' ILE . 1.4 ptm180 -108.34 94.79 5.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.437 1.085 . . . . 73.310000000000002 110.312 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.665 ' NZ ' ' CE1' ' A' ' 104' ' ' PHE . 0.8 OUTLIER -167.82 122.69 1.0 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.389 1.056 . . . . 65.409999999999997 109.302 179.97 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.635 ' HE2' HG12 ' A' ' 63' ' ' VAL . 32.0 m-85 -146.88 132.0 18.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 72.340000000000003 111.046 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.59 ' CD2' ' HA ' ' A' ' 30' ' ' PRO . 3.3 mt -112.26 77.32 1.03 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 74.329999999999998 109.321 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.672 HG11 ' CD1' ' A' ' 60' ' ' PHE . 20.9 m -78.73 148.34 72.59 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.509 1.13 . . . . 63.399999999999999 109.296 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 177.02 9.12 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.456 1.766 . . . . 72.439999999999998 111.071 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -90.47 18.66 5.96 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.434 1.083 . . . . 72.450000000000003 109.3 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 69.1 m-20 -119.85 -38.43 2.96 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.129 . . . . 72.409999999999997 109.258 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 1.9 tp -57.24 137.89 55.39 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.427 1.079 . . . . 73.349999999999994 109.343 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.514 HG22 ' CD1' ' A' ' 90' ' ' LEU . 1.3 p -95.87 -158.01 0.62 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.547 1.155 . . . . 33.539999999999999 110.409 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 2.7 t -87.6 -41.64 14.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 O-C-N 124.491 1.119 . . . . 60.439999999999998 109.285 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -73.53 -6.75 71.81 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.489 1.118 . . . . 73.230000000000004 110.968 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -98.79 -24.74 14.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.381 0.695 . . . . 74.530000000000001 110.262 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.672 ' CD1' HG11 ' A' ' 51' ' ' VAL . 12.2 t80 -78.41 -50.89 10.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 73.030000000000001 111.029 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.675 HG13 ' CG2' ' A' ' 76' ' ' ILE . 63.8 t -41.7 -36.1 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.446 1.091 . . . . 73.010000000000005 109.314 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -56.65 -52.99 62.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.14 . . . . 74.540000000000006 111.124 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.881 HG21 ' C ' ' B' ' 630' ' ' ALA . 77.5 t -60.09 -39.17 79.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 65.319999999999993 109.319 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.528 HD12 ' SG ' ' A' ' 33' ' ' CYS . 24.6 mm -66.46 -34.42 70.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 O-C-N 124.476 1.11 . . . . 74.049999999999997 109.301 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 4.5 tpp85 -80.68 -3.67 51.53 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.401 1.063 . . . . 63.25 110.325 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 12.2 mttt -89.45 -46.2 8.88 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.531 1.144 . . . . 71.450000000000003 109.301 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.495 ' HG3' HD11 ' A' ' 44' ' ' ILE . 2.9 mmp_? -52.95 -59.36 4.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.1 . . . . 74.150000000000006 110.369 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.773 HG21 ' O ' ' A' ' 42' ' ' PRO . 6.2 pt -79.98 -4.98 7.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 74.209999999999994 109.253 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.495 ' CG ' ' O ' ' A' ' 68' ' ' ILE . 5.9 ptp 42.54 44.14 3.46 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.531 1.145 . . . . 64.340000000000003 110.968 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.474 HD12 ' HA ' ' A' ' 70' ' ' LEU . 5.3 tp -61.64 140.53 95.15 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.541 1.151 . . . . 62.43 109.342 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.434 ' HD3' ' HA ' ' A' ' 70' ' ' LEU . 18.4 Cg_endo -75.08 169.74 21.93 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.504 1.792 . . . . 75.310000000000002 110.965 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -0.67 10.25 Favored 'Trans proline' 0 C--N 1.362 1.27 0 O-C-N 124.468 1.772 . . . . 73.310000000000002 110.978 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 17.1 pt-20 -90.64 2.94 55.43 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.543 1.152 . . . . 75.109999999999999 110.266 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 19.2 mttt -121.53 -178.96 3.94 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.509 1.13 . . . . 74.239999999999995 109.291 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -139.11 147.08 41.48 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.576 1.172 . . . . 54.009999999999998 109.334 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.911 HD11 ' CD2' ' A' ' 109' ' ' TYR . 1.1 tt -142.88 121.66 8.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.411 1.069 . . . . 71.129999999999995 109.336 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.521 ' HB3' HD11 ' A' ' 84' ' ' LEU . 65.8 m-85 -122.16 140.57 52.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 70.230000000000004 110.931 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.6 ' CG2' ' CG2' ' A' ' 107' ' ' VAL . 9.1 mm -85.33 149.8 4.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 70.040000000000006 109.264 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -139.87 126.14 20.05 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 63.119999999999997 111.048 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.559 ' O ' HG22 ' A' ' 83' ' ' THR . 2.2 t -128.84 116.76 42.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.434 1.084 . . . . 75.209999999999994 109.302 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' ASN . . . . . 0.499 ' O ' ' CB ' ' A' ' 82' ' ' ASP . 2.0 m120 64.03 19.9 11.96 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.57 1.168 . . . . 74.420000000000002 109.271 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' ASP . . . . . 0.499 ' CB ' ' O ' ' A' ' 81' ' ' ASN . 3.9 m-20 81.61 24.7 0.24 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 75.129999999999995 109.319 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.559 HG22 ' O ' ' A' ' 80' ' ' VAL . 0.7 OUTLIER -131.76 135.17 46.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.112 . . . . 74.25 110.322 -179.941 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.521 HD11 ' HB3' ' A' ' 77' ' ' PHE . 0.2 OUTLIER -91.48 112.45 54.29 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.46 1.1 . . . . 64.219999999999999 109.268 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 163.55 35.18 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.491 1.785 . . . . 73.140000000000001 110.988 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' PRO . . . . . 0.736 ' HD2' ' HB2' ' A' ' 89' ' ' ALA . 18.2 Cg_endo -75.02 -164.97 0.26 Allowed 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.469 1.773 . . . . 70.439999999999998 111.017 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 4.8 p -96.12 -31.95 12.75 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.453 1.096 . . . . 62.409999999999997 110.399 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -86.42 11.27 12.8 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.555 1.159 . . . . 71.439999999999998 109.369 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 1.069 ' HB1' HD11 ' A' ' 94' ' ' ILE . . . -75.84 60.37 1.33 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 73.430000000000007 109.324 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.531 ' C ' ' O ' ' A' ' 89' ' ' ALA . 0.4 OUTLIER -28.95 114.99 0.09 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 71.209999999999994 109.303 179.94 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 91' ' ' MET . . . . . 0.543 ' SD ' HG21 ' A' ' 51' ' ' VAL . 0.0 OUTLIER -36.55 -32.17 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.612 1.195 . . . . 71.209999999999994 111.004 179.976 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 92' ' ' SER . . . . . 0.45 ' N ' ' O ' ' A' ' 90' ' ' LEU . 1.3 t -62.79 -56.62 15.8 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.436 1.085 . . . . 61.219999999999999 110.006 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.407 ' N ' ' O ' ' A' ' 90' ' ' LEU . . . -63.37 -13.31 37.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.434 1.083 . . . . 70.439999999999998 109.235 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 1.069 HD11 ' HB1' ' A' ' 89' ' ' ALA . 29.7 mm -87.48 -41.02 14.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.489 1.118 . . . . 61.530000000000001 109.352 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 95' ' ' TYR . . . . . 0.783 ' CD2' HD23 ' A' ' 105' ' ' LEU . 7.7 t80 -79.28 -5.65 54.9 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.554 1.159 . . . . 52.140000000000001 110.95 -179.9 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 96' ' ' GLN . . . . . 0.454 ' O ' ' CG ' ' A' ' 96' ' ' GLN . 1.4 tt0 -101.87 -10.12 20.13 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.559 1.162 . . . . 73.329999999999998 110.248 -179.905 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -120.45 -7.59 9.69 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.446 1.091 . . . . 70.129999999999995 110.332 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' HIS . . . . . 0.44 ' HB2' HD11 ' A' ' 105' ' ' LEU . 33.3 m170 -126.99 16.55 7.32 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.555 1.159 . . . . 62.030000000000001 109.544 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.49 ' HB3' ' O ' ' A' ' 95' ' ' TYR . 0.1 OUTLIER -60.61 156.19 17.12 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.552 1.157 . . . . 60.420000000000002 109.287 -179.94 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -128.47 175.78 8.25 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.448 1.092 . . . . 64.510000000000005 109.303 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.465 ' CE ' ' HA ' ' A' ' 101' ' ' LYS . 4.0 mmpt? -50.91 -57.38 8.65 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.424 1.078 . . . . 74.239999999999995 109.29 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 102' ' ' ASP . . . . . 0.539 ' HB3' ' CE1' ' A' ' 11' ' ' PHE . 0.5 OUTLIER -56.93 -19.92 20.61 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.484 1.115 . . . . 52.350000000000001 109.215 -179.912 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 103' ' ' GLY . . . . . 0.421 ' O ' ' CZ ' ' A' ' 95' ' ' TYR . . . 91.01 -25.78 13.1 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.466 1.104 . . . . 42.140000000000001 110.929 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 104' ' ' PHE . . . . . 0.665 ' CE1' ' NZ ' ' A' ' 48' ' ' LYS . 13.5 m-85 -68.9 145.81 53.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.444 0.732 . . . . 73.230000000000004 111.089 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.783 HD23 ' CD2' ' A' ' 95' ' ' TYR . 0.3 OUTLIER -86.94 143.09 27.54 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 74.420000000000002 109.34 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 106' ' ' TYR . . . . . 0.443 ' OH ' ' NH1' ' A' ' 14' ' ' ARG . 84.6 m-85 -120.74 95.09 4.57 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.486 1.116 . . . . 64.400000000000006 111.015 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.6 ' CG2' ' CG2' ' A' ' 78' ' ' ILE . 12.0 p -106.82 169.31 2.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.538 1.149 . . . . 71.319999999999993 109.389 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 108' ' ' THR . . . . . 0.49 ' N ' HG22 ' A' ' 107' ' ' VAL . 0.6 OUTLIER -152.75 158.17 41.9 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.511 1.132 . . . . 74.209999999999994 110.326 -179.939 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 109' ' ' TYR . . . . . 0.911 ' CD2' HD11 ' A' ' 76' ' ' ILE . 36.1 p90 -140.75 141.45 34.86 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.477 1.11 . . . . 63.539999999999999 111.012 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 110' ' ' SER . . . . . 0.41 ' OG ' ' HB3' ' A' ' 36' ' ' ALA . 19.5 m -138.66 174.79 10.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.455 1.097 . . . . 73.5 110.018 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -87.92 2.69 85.82 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.528 1.143 . . . . 54.340000000000003 111.005 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 20.1 pm0 -118.29 149.82 40.5 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.433 0.725 . . . . 65.25 110.334 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 113' ' ' ASN . . . . . 0.404 ' CG ' ' O ' ' A' ' 113' ' ' ASN . 41.8 t30 -93.58 14.84 17.64 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.439 1.087 . . . . 71.129999999999995 109.282 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 114' ' ' THR . . . . . 0.694 HG22 ' H ' ' A' ' 115' ' ' PHE . 5.1 m -134.48 -171.74 2.84 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.588 1.18 . . . . 73.219999999999999 110.411 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 115' ' ' PHE . . . . . 0.694 ' H ' HG22 ' A' ' 114' ' ' THR . 3.9 p90 -113.49 97.35 6.4 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.585 1.178 . . . . 74.329999999999998 111.079 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 116' ' ' GLY . . . . . 0.404 ' HA2' ' CD ' ' A' ' 38' ' ' LYS . . . . . . . . 0 CA--C 1.53 1.0 0 O-C-N 124.509 1.13 . . . . 63.520000000000003 111.0 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 597' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.086 0 N-CA-C 110.964 -0.855 . . . . 75.340000000000003 110.964 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 598' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 127.49 10.73 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.502 1.79 . . . . 62.549999999999997 111.029 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 599' ' ' HIS . . . . . . . . . . . . . 41.8 t60 -153.38 162.95 40.76 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.535 1.147 . . . . 61.329999999999998 109.577 -179.884 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 600' ' ' MET . . . . . . . . . . . . . 4.7 tpt 62.75 19.99 11.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 71.310000000000002 110.974 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 601' ' ' ILE . . . . . . . . . . . . . 5.1 mm -66.35 113.82 2.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.466 1.104 . . . . 72.439999999999998 109.331 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 602' ' ' SER . . . . . . . . . . . . . 96.3 p -176.0 159.1 2.11 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.475 1.109 . . . . 55.439999999999998 109.986 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 603' ' ' GLY . . . . . . . . . . . . . . . -157.87 25.22 0.42 Allowed Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.496 1.122 . . . . 71.310000000000002 111.069 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 604' ' ' LEU . . . . . 0.469 HD12 ' H ' ' B' ' 605' ' ' SER . 65.3 tp -114.23 166.72 11.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.416 0.715 . . . . 63.329999999999998 109.321 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 605' ' ' SER . . . . . 0.469 ' H ' HD12 ' B' ' 604' ' ' LEU . 33.6 t -39.37 158.49 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.47 1.106 . . . . 73.049999999999997 109.977 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 606' ' ' VAL . . . . . . . . . . . . . 88.1 t -102.17 149.22 6.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.537 1.148 . . . . 74.109999999999999 109.323 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 607' ' ' ILE . . . . . 0.526 HG22 ' N ' ' B' ' 608' ' ' LYS . 4.0 mm -131.67 170.24 20.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 71.450000000000003 109.273 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 608' ' ' LYS . . . . . 0.526 ' N ' HG22 ' B' ' 607' ' ' ILE . 2.0 mmmm -61.5 -14.89 32.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.64 1.212 . . . . 71.519999999999996 109.341 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 609' ' ' GLN . . . . . 0.414 ' O ' ' O ' ' B' ' 610' ' ' GLU . 1.6 mp0 -78.79 2.46 19.76 Favored 'General case' 0 C--N 1.326 -0.413 0 O-C-N 124.513 1.133 . . . . 75.510000000000005 110.34 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 610' ' ' GLU . . . . . 0.414 ' O ' ' O ' ' B' ' 609' ' ' GLN . 10.9 pt-20 -43.9 169.21 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.52 1.138 . . . . 74.310000000000002 110.281 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 611' ' ' VAL . . . . . 0.624 HG23 ' O ' ' B' ' 614' ' ' LEU . 0.2 OUTLIER -144.95 153.43 14.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.577 1.173 . . . . 74.530000000000001 109.353 179.94 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 612' ' ' GLU . . . . . 0.423 ' CD ' ' N ' ' B' ' 612' ' ' GLU . 0.5 OUTLIER -108.41 -91.68 0.43 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 72.219999999999999 110.313 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 613' ' ' ARG . . . . . 0.493 ' HG3' HD12 ' B' ' 614' ' ' LEU . 1.5 ptt180 -106.46 -27.51 10.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 71.310000000000002 110.391 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 614' ' ' LEU . . . . . 0.833 HD21 ' CZ3' ' B' ' 621' ' ' TRP . 2.8 mp -85.25 125.33 32.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 75.010000000000005 109.334 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 615' ' ' GLY . . . . . . . . . . . . . . . -127.94 -59.26 0.12 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.502 1.126 . . . . 55.229999999999997 111.059 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 616' ' ' ASN . . . . . 0.45 ' HB3' ' CB ' ' B' ' 620' ' ' GLU . 4.6 t30 -55.05 -169.54 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 0.744 . . . . 73.319999999999993 109.326 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 617' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -53.94 -172.56 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 64.209999999999994 109.319 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 618' ' ' VAL . . . . . 0.867 HG21 ' CD ' ' A' ' 17' ' ' GLU . 2.7 t -62.04 129.78 25.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 73.239999999999995 109.302 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 619' ' ' PHE . . . . . 0.584 ' CE1' ' HE2' ' A' ' 48' ' ' LYS . 14.7 m-85 71.83 32.98 1.8 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 72.230000000000004 111.014 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 620' ' ' GLU . . . . . 0.45 ' CB ' ' HB3' ' B' ' 616' ' ' ASN . 0.3 OUTLIER -46.84 -32.4 3.71 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.398 1.061 . . . . 53.420000000000002 110.315 179.935 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 621' ' ' TRP . . . . . 0.833 ' CZ3' HD21 ' B' ' 614' ' ' LEU . 1.4 p90 -72.28 166.34 22.65 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 108.004 -1.11 . . . . 73.319999999999993 108.004 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 622' ' ' GLU . . . . . 0.633 ' O ' ' CD1' ' B' ' 621' ' ' TRP . 33.6 tp10 -43.16 162.42 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.101 . . . . 64.150000000000006 110.328 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 623' ' ' ASP . . . . . 0.412 ' HB3' ' CB ' ' B' ' 626' ' ' SER . 24.1 m-20 53.1 100.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.474 1.109 . . . . 72.319999999999993 109.217 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 624' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -76.63 -69.5 0.51 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.536 1.147 . . . . 63.210000000000001 109.356 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 625' ' ' GLU . . . . . 0.461 ' HB3' ' CZ ' ' A' ' 25' ' ' PHE . 1.6 pt-20 -115.25 20.24 15.04 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.582 1.176 . . . . 75.099999999999994 110.292 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 626' ' ' SER . . . . . 0.413 ' C ' ' O ' ' B' ' 625' ' ' GLU . 25.3 t -38.67 156.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 72.439999999999998 109.986 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 627' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -92.03 22.95 3.99 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.462 1.101 . . . . 61.450000000000003 109.286 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 628' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -87.63 -10.38 51.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 70.040000000000006 110.325 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 629' ' ' ILE . . . . . 0.473 HD13 ' H ' ' A' ' 50' ' ' LEU . 1.2 pp -101.6 30.57 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.116 . . . . 61.409999999999997 109.311 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 630' ' ' ALA . . . . . 0.881 ' C ' HG21 ' A' ' 63' ' ' VAL . . . . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.111 . . . . 73.25 109.32 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 0' ' ' HIS . . . . . . . . . . . . . 27.0 m170 . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.578 -0.527 . . . . 72.510000000000005 109.578 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.4 ptp -63.81 -178.54 0.32 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.533 1.145 . . . . 71.219999999999999 110.971 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 5.6 mtmm -135.9 -47.64 0.67 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.456 1.098 . . . . 64.099999999999994 109.358 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 30.3 t -77.53 124.9 28.51 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.452 1.095 . . . . 61.210000000000001 109.96 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.451 ' OG1' ' N ' ' A' ' 5' ' ' PHE . 8.3 p -123.37 -58.19 1.63 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.449 1.093 . . . . 74.439999999999998 110.438 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.612 ' CE2' ' OH ' ' A' ' 9' ' ' TYR . 69.0 t80 -71.6 -31.36 66.84 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.6 1.187 . . . . 75.109999999999999 111.075 179.897 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 1.034 ' HZ1' HG21 ' A' ' 32' ' ' ILE . 0.6 OUTLIER -80.64 -53.34 6.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 72.109999999999999 109.282 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 29.5 t -59.47 -15.36 17.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.571 1.17 . . . . 63.350000000000001 109.946 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.575 ' HB3' ' CD1' ' A' ' 9' ' ' TYR . 8.9 tt0 -54.74 -46.92 74.37 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.468 1.105 . . . . 75.049999999999997 110.328 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.612 ' OH ' ' CE2' ' A' ' 5' ' ' PHE . 1.9 p90 -134.46 167.28 23.6 Favored Pre-proline 0 C--N 1.326 -0.434 0 O-C-N 124.425 1.078 . . . . 62.130000000000003 110.948 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -178.68 4.34 Favored 'Trans proline' 0 C--N 1.361 1.211 0 O-C-N 124.493 1.786 . . . . 44.439999999999998 110.986 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.648 ' CE2' ' CD ' ' A' ' 101' ' ' LYS . 6.2 t80 -68.22 -48.03 66.25 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 73.120000000000005 110.927 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -52.97 -19.19 2.43 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 72.25 110.294 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -93.42 -51.5 4.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 72.310000000000002 109.376 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 11.6 ptp180 -60.85 -20.55 61.99 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.445 1.091 . . . . 72.400000000000006 110.231 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.432 ' HD3' ' CE1' ' A' ' 11' ' ' PHE . 34.9 pttt -81.4 -42.89 19.76 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.522 1.139 . . . . 63.020000000000003 109.322 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -57.57 -23.81 52.73 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.447 1.092 . . . . 52.130000000000003 109.251 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.439 ' O ' ' CG ' ' A' ' 20' ' ' ARG . 13.4 tp10 -68.32 -57.11 6.44 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 64.25 110.209 -179.911 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 20.2 p -59.01 -15.77 14.89 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 73.400000000000006 110.045 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -79.94 -25.36 40.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 72.310000000000002 110.363 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.927 HH21 ' CD ' ' A' ' 24' ' ' ARG . 13.9 ptm180 -101.85 -25.94 13.63 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.522 1.139 . . . . 74.030000000000001 110.257 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 27.1 mt -63.63 -22.01 29.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 70.129999999999995 109.294 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -74.17 -19.0 60.7 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.453 1.096 . . . . 53.32 109.27 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -97.36 -42.68 7.64 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.466 1.104 . . . . 74.040000000000006 109.303 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.927 ' CD ' HH21 ' A' ' 20' ' ' ARG . 4.1 mtp85 -69.48 -51.89 31.68 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.491 1.119 . . . . 72.200000000000003 110.317 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.551 ' CE2' ' HB3' ' A' ' 24' ' ' ARG . 3.4 m-85 -142.27 91.89 7.66 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.505 1.128 . . . . 64.319999999999993 111.06 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 -33.28 4.8 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.47 1.774 . . . . 74.200000000000003 110.987 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 5.2 m-20 -91.02 40.22 1.02 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.385 1.053 . . . . 72.439999999999998 109.351 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.461 ' CG ' ' HB3' ' A' ' 25' ' ' PHE . 11.8 mmt180 -124.11 170.17 10.96 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.365 1.04 . . . . 75.129999999999995 110.313 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.489 HD12 ' HA ' ' A' ' 92' ' ' SER . 22.2 mm -133.06 96.24 17.88 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.543 1.152 . . . . 73.209999999999994 109.345 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.629 ' HA ' HD22 ' A' ' 50' ' ' LEU . 18.2 Cg_endo -74.94 105.51 2.09 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.487 1.782 . . . . 64.019999999999996 110.981 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.504 HG13 HG22 ' A' ' 51' ' ' VAL . 0.9 OUTLIER -118.82 169.63 9.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.431 1.082 . . . . 75.340000000000003 109.293 179.961 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 1.034 HG21 ' HZ1' ' A' ' 6' ' ' LYS . 4.0 mm -134.7 106.16 7.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 65.239999999999995 109.259 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.567 ' HB3' ' CE1' ' A' ' 49' ' ' TYR . 0.5 OUTLIER -83.69 139.74 32.59 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.404 1.065 . . . . 43.200000000000003 108.286 179.974 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.487 ' O ' ' CG2' ' A' ' 108' ' ' THR . 6.7 tp10 -149.86 156.71 42.25 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.528 1.143 . . . . 74.129999999999995 110.18 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.418 ' CD ' ' HB3' ' A' ' 39' ' ' SER . 0.0 OUTLIER -94.12 126.91 39.63 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.471 1.107 . . . . 74.109999999999999 109.317 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.509 ' HB3' ' HB2' ' A' ' 39' ' ' SER . . . -53.74 179.46 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 61.539999999999999 109.316 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.451 ' CG ' ' N ' ' A' ' 38' ' ' LYS . 11.1 pt-20 -96.44 -50.95 4.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.414 1.071 . . . . 72.099999999999994 110.279 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.451 ' N ' ' CG ' ' A' ' 37' ' ' GLU . 50.3 mttp -59.74 -37.03 77.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 70.129999999999995 109.272 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.509 ' HB2' ' HB3' ' A' ' 36' ' ' ALA . 3.3 t -39.98 159.59 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.45 1.094 . . . . 61.219999999999999 109.985 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 75.2 m-20 -121.98 1.9 9.87 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.586 1.179 . . . . 65.120000000000005 109.283 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.597 HD11 ' CE2' ' A' ' 109' ' ' TYR . 0.1 OUTLIER -79.88 167.99 29.54 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.44 1.088 . . . . 75.430000000000007 109.275 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.433 ' O ' HG21 ' A' ' 68' ' ' ILE . 18.0 Cg_endo -75.07 125.2 9.12 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.491 1.785 . . . . 64.400000000000006 110.974 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -66.2 146.82 54.18 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.435 1.084 . . . . 74.430000000000007 110.339 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.733 HD11 ' HG3' ' A' ' 67' ' ' ARG . 13.8 tt -67.11 170.28 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.46 1.1 . . . . 73.530000000000001 109.325 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -72.25 -44.33 63.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.421 1.075 . . . . 74.129999999999995 109.296 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -149.83 164.98 33.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 72.310000000000002 109.295 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.675 ' HB2' HG22 ' A' ' 32' ' ' ILE . 2.1 ptm180 -106.99 95.68 5.89 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.484 1.115 . . . . 73.310000000000002 110.302 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.576 ' HB2' ' CD2' ' A' ' 5' ' ' PHE . 17.8 tptt -166.6 116.43 0.92 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.555 1.159 . . . . 65.409999999999997 109.268 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.701 ' HE2' HG12 ' A' ' 63' ' ' VAL . 20.3 m-85 -141.67 115.22 8.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.441 1.088 . . . . 72.340000000000003 111.015 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.629 HD22 ' HA ' ' A' ' 30' ' ' PRO . 0.3 OUTLIER -98.33 77.13 2.35 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.567 1.167 . . . . 74.329999999999998 109.346 -179.969 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.939 HG21 ' SD ' ' A' ' 91' ' ' MET . 6.4 m -82.82 146.28 52.15 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.102 . . . . 63.399999999999999 109.225 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.47 ' HD3' ' CB ' ' B' ' 630' ' ' ALA . 18.4 Cg_endo -74.95 -178.23 4.01 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.452 1.764 . . . . 72.439999999999998 110.994 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -91.84 18.77 7.27 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.486 1.116 . . . . 72.450000000000003 109.332 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -118.1 -38.48 3.21 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.462 1.101 . . . . 72.409999999999997 109.266 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.576 HD12 ' N ' ' A' ' 56' ' ' THR . 0.0 OUTLIER -57.93 130.38 46.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.547 1.154 . . . . 73.349999999999994 109.269 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.576 ' N ' HD12 ' A' ' 55' ' ' LEU . 2.4 p -90.19 -164.09 1.11 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.113 . . . . 33.539999999999999 110.409 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 2.4 t -84.12 -60.57 2.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.548 1.155 . . . . 60.439999999999998 109.355 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -57.17 -21.48 39.48 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.429 1.081 . . . . 73.230000000000004 110.989 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.499 ' HB2' ' CD1' ' A' ' 55' ' ' LEU . 9.6 mt-30 -88.63 -28.31 20.73 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.432 0.725 . . . . 74.530000000000001 110.352 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.675 ' CE1' HG11 ' A' ' 51' ' ' VAL . 54.2 t80 -69.35 -38.67 78.23 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.124 . . . . 73.030000000000001 111.034 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.719 HG22 HG12 ' A' ' 78' ' ' ILE . 85.4 t -49.06 -47.19 17.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 73.010000000000005 109.231 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.552 ' CD1' ' C ' ' A' ' 62' ' ' TYR . 0.1 OUTLIER -44.82 -32.7 1.65 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 74.540000000000006 110.995 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.729 HG21 ' CA ' ' B' ' 630' ' ' ALA . 97.7 t -74.38 -39.49 48.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.43 1.081 . . . . 65.319999999999993 109.26 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.615 ' CD1' ' CE2' ' A' ' 49' ' ' TYR . 4.0 mm -67.79 -33.5 62.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.549 1.156 . . . . 74.049999999999997 109.35 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 2.3 tpp180 -77.86 -3.24 40.63 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.52 1.137 . . . . 63.25 110.291 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.452 ' HD2' ' CE1' ' A' ' 62' ' ' TYR . 15.3 mttt -90.23 -50.11 6.17 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.14 . . . . 71.450000000000003 109.279 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.733 ' HG3' HD11 ' A' ' 44' ' ' ILE . 6.7 mmp_? -53.01 -66.43 0.39 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.556 1.16 . . . . 74.150000000000006 110.332 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.713 HD11 HD12 ' A' ' 76' ' ' ILE . 6.0 pt -72.32 -5.37 6.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.446 1.091 . . . . 74.209999999999994 109.385 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.508 ' CG ' ' O ' ' A' ' 68' ' ' ILE . 6.0 ptp 42.88 42.82 3.22 Favored 'General case' 0 C--N 1.327 -0.381 0 O-C-N 124.41 1.069 . . . . 64.340000000000003 111.059 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.51 HD22 HD12 ' A' ' 68' ' ' ILE . 4.8 tp -62.11 140.65 96.0 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 62.43 109.299 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.442 ' HD3' ' HA ' ' A' ' 70' ' ' LEU . 18.3 Cg_endo -75.05 170.89 19.41 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.514 1.797 . . . . 75.310000000000002 110.94 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 0.23 9.18 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.507 1.793 . . . . 73.310000000000002 111.03 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -93.28 7.25 45.14 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.438 1.086 . . . . 75.109999999999999 110.281 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -125.31 179.9 4.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.555 1.159 . . . . 74.239999999999995 109.35 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -136.58 149.13 47.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.145 . . . . 54.009999999999998 109.309 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.777 HD11 ' CD2' ' A' ' 109' ' ' TYR . 1.5 tt -149.45 120.01 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.396 1.06 . . . . 71.129999999999995 109.279 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.643 ' HB3' HD11 ' A' ' 84' ' ' LEU . 52.1 m-85 -120.67 142.74 49.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.107 . . . . 70.230000000000004 110.995 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.719 HG12 HG22 ' A' ' 61' ' ' VAL . 11.3 mm -84.8 139.55 17.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.569 1.168 . . . . 70.040000000000006 109.298 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' PHE . . . . . 0.605 ' CZ ' HD13 ' A' ' 84' ' ' LEU . 6.9 m-85 -131.34 130.88 43.25 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.484 1.115 . . . . 63.119999999999997 111.076 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.541 HG12 ' OD1' ' A' ' 81' ' ' ASN . 2.8 t -130.27 118.73 44.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.453 1.096 . . . . 75.209999999999994 109.323 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' ASN . . . . . 0.541 ' OD1' HG12 ' A' ' 80' ' ' VAL . 2.5 m120 60.82 19.36 9.57 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.535 1.147 . . . . 74.420000000000002 109.29 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' ASP . . . . . 0.493 ' CB ' ' O ' ' A' ' 81' ' ' ASN . 9.3 t0 81.08 25.7 0.25 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.439 1.087 . . . . 75.129999999999995 109.341 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.486 ' O ' ' CG2' ' A' ' 83' ' ' THR . 0.6 OUTLIER -133.15 112.94 12.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.107 . . . . 74.25 110.388 -179.94 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.643 HD11 ' HB3' ' A' ' 77' ' ' PHE . 0.3 OUTLIER -71.99 113.81 23.53 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.524 1.14 . . . . 64.219999999999999 109.306 179.967 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 165.32 31.58 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.482 1.78 . . . . 73.140000000000001 111.018 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' PRO . . . . . 0.739 ' HD2' ' HB2' ' A' ' 89' ' ' ALA . 18.5 Cg_endo -74.94 -167.27 0.4 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.586 1.835 . . . . 70.439999999999998 111.02 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 2.0 p -93.68 -32.13 14.17 Favored 'General case' 0 C--N 1.327 -0.406 0 O-C-N 124.449 1.093 . . . . 62.409999999999997 110.451 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -86.38 11.66 11.86 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.487 1.117 . . . . 71.439999999999998 109.306 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 1.02 ' HB1' HD11 ' A' ' 94' ' ' ILE . . . -76.01 60.57 1.42 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.118 . . . . 73.430000000000007 109.301 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.539 ' CD1' HG22 ' A' ' 56' ' ' THR . 0.4 OUTLIER -28.99 115.64 0.1 Allowed 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.493 1.12 . . . . 71.209999999999994 109.424 179.926 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 91' ' ' MET . . . . . 0.939 ' SD ' HG21 ' A' ' 51' ' ' VAL . 0.3 OUTLIER -37.05 -31.1 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.546 1.154 . . . . 71.209999999999994 110.978 -179.973 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 92' ' ' SER . . . . . 0.489 ' HA ' HD12 ' A' ' 29' ' ' ILE . 1.5 t -67.81 -53.71 24.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.605 1.191 . . . . 61.219999999999999 110.001 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.452 ' N ' ' O ' ' A' ' 90' ' ' LEU . . . -63.27 -13.16 35.1 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.561 1.163 . . . . 70.439999999999998 109.242 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 1.02 HD11 ' HB1' ' A' ' 89' ' ' ALA . 26.8 mm -88.28 -41.7 14.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.42 1.075 . . . . 61.530000000000001 109.376 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 95' ' ' TYR . . . . . 0.707 ' CD2' HD23 ' A' ' 105' ' ' LEU . 4.7 t80 -74.78 -9.02 58.16 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.44 1.088 . . . . 52.140000000000001 111.022 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 96' ' ' GLN . . . . . 0.467 ' O ' ' CG ' ' A' ' 96' ' ' GLN . 15.5 tp60 -100.99 -8.97 21.9 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.388 1.055 . . . . 73.329999999999998 110.301 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -118.3 -8.12 10.63 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 70.129999999999995 110.325 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 34.4 m170 -128.42 14.97 6.63 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.48 1.113 . . . . 62.030000000000001 109.624 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.489 ' HB3' ' O ' ' A' ' 95' ' ' TYR . 0.1 OUTLIER -55.75 154.68 6.66 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.525 1.141 . . . . 60.420000000000002 109.306 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -124.66 171.59 9.94 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.507 1.129 . . . . 64.510000000000005 109.268 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.648 ' CD ' ' CE2' ' A' ' 11' ' ' PHE . 0.1 OUTLIER -55.44 -43.04 75.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 74.239999999999995 109.362 179.947 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 102' ' ' ASP . . . . . 0.493 ' HB3' ' CE2' ' A' ' 11' ' ' PHE . 1.0 OUTLIER -72.01 -15.48 62.05 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.124 . . . . 52.350000000000001 109.277 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 88.77 -39.27 3.13 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.532 1.145 . . . . 42.140000000000001 111.046 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' PHE . . . . . 0.434 ' CE2' ' HB3' ' A' ' 17' ' ' GLU . 0.4 OUTLIER -56.99 132.11 51.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 0.751 . . . . 73.230000000000004 110.866 -179.968 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.707 HD23 ' CD2' ' A' ' 95' ' ' TYR . 0.2 OUTLIER -77.37 151.16 34.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 74.420000000000002 109.342 179.97 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 94.3 m-85 -130.62 95.9 3.98 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.496 1.122 . . . . 64.400000000000006 111.05 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.603 ' CG2' ' CG2' ' A' ' 78' ' ' ILE . 11.5 p -106.07 171.44 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.533 1.145 . . . . 71.319999999999993 109.291 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 108' ' ' THR . . . . . 0.532 ' H ' HG22 ' A' ' 107' ' ' VAL . 0.3 OUTLIER -152.47 161.12 43.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.112 . . . . 74.209999999999994 110.42 179.983 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 109' ' ' TYR . . . . . 0.777 ' CD2' HD11 ' A' ' 76' ' ' ILE . 46.7 p90 -140.74 134.3 30.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.438 1.086 . . . . 63.539999999999999 110.94 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 22.9 t -136.33 157.56 46.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.377 1.048 . . . . 73.5 110.014 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -85.2 2.42 88.2 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.563 1.164 . . . . 54.340000000000003 111.048 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -121.69 124.53 44.49 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.547 0.793 . . . . 65.25 110.312 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 36.4 t30 -86.4 53.37 2.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.405 1.065 . . . . 71.129999999999995 109.301 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 114' ' ' THR . . . . . 0.669 HG22 ' H ' ' A' ' 115' ' ' PHE . 3.6 m -106.54 -171.91 1.98 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.11 . . . . 73.219999999999999 110.428 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 115' ' ' PHE . . . . . 0.669 ' H ' HG22 ' A' ' 114' ' ' THR . 4.6 p90 -111.97 96.82 6.27 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.491 1.119 . . . . 74.329999999999998 110.993 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 O-C-N 124.505 1.128 . . . . 63.520000000000003 111.031 179.991 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 597' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 N-CA-C 111.047 -0.821 . . . . 75.340000000000003 111.047 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 598' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -75.08 -172.26 1.21 Allowed 'Trans proline' 0 C--N 1.359 1.1 0 O-C-N 124.596 1.84 . . . . 62.549999999999997 110.912 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 599' ' ' HIS . . . . . . . . . . . . . 53.5 t60 -119.83 175.7 5.76 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 61.329999999999998 109.542 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 600' ' ' MET . . . . . 0.437 ' N ' ' SD ' ' B' ' 600' ' ' MET . 1.8 mpp? -143.57 163.39 33.31 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 71.310000000000002 110.952 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 601' ' ' ILE . . . . . 0.471 ' CG2' ' N ' ' B' ' 602' ' ' SER . 15.6 mm -144.4 164.44 13.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.523 1.139 . . . . 72.439999999999998 109.25 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 602' ' ' SER . . . . . 0.471 ' N ' ' CG2' ' B' ' 601' ' ' ILE . 58.6 m -157.16 -175.17 5.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 55.439999999999998 110.012 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 603' ' ' GLY . . . . . . . . . . . . . . . 141.87 -13.87 2.64 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.531 1.144 . . . . 71.310000000000002 111.016 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 604' ' ' LEU . . . . . . . . . . . . . 1.4 tt -40.54 120.59 1.28 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.529 0.782 . . . . 63.329999999999998 109.313 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 605' ' ' SER . . . . . 0.804 ' O ' HG23 ' B' ' 606' ' ' VAL . 54.4 m -112.91 -176.27 2.86 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.525 1.141 . . . . 73.049999999999997 109.998 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 606' ' ' VAL . . . . . 0.804 HG23 ' O ' ' B' ' 605' ' ' SER . 3.3 t -163.32 163.98 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.437 1.086 . . . . 74.109999999999999 109.296 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 607' ' ' ILE . . . . . 0.515 HG22 ' N ' ' B' ' 608' ' ' LYS . 12.8 mm -105.27 166.79 3.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.588 1.18 . . . . 71.450000000000003 109.294 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 608' ' ' LYS . . . . . 0.515 ' N ' HG22 ' B' ' 607' ' ' ILE . 0.1 OUTLIER -134.79 151.0 50.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.143 . . . . 71.519999999999996 109.332 -179.981 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 609' ' ' GLN . . . . . 0.41 ' OE1' ' N ' ' B' ' 609' ' ' GLN . 19.4 mp0 -129.48 -174.92 3.42 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.511 1.132 . . . . 75.510000000000005 110.321 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 610' ' ' GLU . . . . . . . . . . . . . 20.2 mm-40 -46.84 172.47 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.476 1.11 . . . . 74.310000000000002 110.374 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 611' ' ' VAL . . . . . 0.71 HG23 ' O ' ' B' ' 614' ' ' LEU . 0.2 OUTLIER -161.65 132.47 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 74.530000000000001 109.327 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 612' ' ' GLU . . . . . 0.467 ' CG ' ' HG3' ' A' ' 8' ' ' GLU . 7.3 pt-20 -113.84 -44.21 3.2 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.536 1.148 . . . . 72.219999999999999 110.238 -179.895 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 613' ' ' ARG . . . . . 0.553 ' CG ' HD12 ' B' ' 614' ' ' LEU . 0.1 OUTLIER -137.42 -44.86 0.55 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.454 1.096 . . . . 71.310000000000002 110.287 -179.966 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 614' ' ' LEU . . . . . 0.71 ' O ' HG23 ' B' ' 611' ' ' VAL . 2.2 mp -85.84 -164.14 0.98 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.565 1.166 . . . . 75.010000000000005 109.257 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 615' ' ' GLY . . . . . 0.432 ' N ' ' HG3' ' B' ' 620' ' ' GLU . . . -162.07 -137.86 2.29 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.504 1.127 . . . . 55.229999999999997 111.01 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 616' ' ' ASN . . . . . 0.494 ' ND2' ' H ' ' B' ' 617' ' ' ASP . 0.5 OUTLIER -39.24 -72.72 0.06 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.421 0.718 . . . . 73.319999999999993 109.268 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 617' ' ' ASP . . . . . 0.494 ' H ' ' ND2' ' B' ' 616' ' ' ASN . 12.4 t70 -72.75 170.84 13.76 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.419 1.074 . . . . 64.209999999999994 109.256 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 618' ' ' VAL . . . . . 0.617 ' O ' ' CD1' ' B' ' 619' ' ' PHE . 0.1 OUTLIER -92.94 32.79 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.497 1.123 . . . . 73.239999999999995 109.248 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 619' ' ' PHE . . . . . 0.617 ' CD1' ' O ' ' B' ' 618' ' ' VAL . 37.8 m-85 -164.57 115.84 1.24 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 72.230000000000004 110.94 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 620' ' ' GLU . . . . . 0.519 ' CG ' ' HA ' ' B' ' 614' ' ' LEU . 3.8 mm-40 -139.56 26.9 2.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 53.420000000000002 110.242 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 621' ' ' TRP . . . . . 0.46 ' HZ3' HD11 ' B' ' 614' ' ' LEU . 5.0 p90 -133.84 -166.53 1.8 Allowed 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 107.977 -1.12 . . . . 73.319999999999993 107.977 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 622' ' ' GLU . . . . . 0.449 ' O ' ' HB2' ' B' ' 623' ' ' ASP . 1.3 pt-20 -71.31 66.25 0.44 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.555 1.16 . . . . 64.150000000000006 110.327 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 623' ' ' ASP . . . . . 0.449 ' HB2' ' O ' ' B' ' 622' ' ' GLU . 1.0 OUTLIER 167.45 111.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.428 1.08 . . . . 72.319999999999993 109.309 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 624' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -113.16 -82.22 0.6 Allowed 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.526 1.141 . . . . 63.210000000000001 109.349 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 625' ' ' GLU . . . . . 0.474 ' O ' ' C ' ' B' ' 626' ' ' SER . 2.5 pp20? -120.9 -5.99 9.58 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.496 1.123 . . . . 75.099999999999994 110.28 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 626' ' ' SER . . . . . 0.474 ' C ' ' O ' ' B' ' 625' ' ' GLU . 4.4 m -34.01 146.66 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.45 1.094 . . . . 72.439999999999998 109.999 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 627' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -75.07 -2.1 25.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 61.450000000000003 109.344 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 628' ' ' GLU . . . . . 0.426 ' O ' HG13 ' A' ' 63' ' ' VAL . 7.0 pt-20 -53.9 -19.57 4.73 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.546 1.154 . . . . 70.040000000000006 110.272 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 629' ' ' ILE . . . . . 0.535 ' C ' HG11 ' A' ' 63' ' ' VAL . 1.2 pp -103.67 27.98 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.468 1.105 . . . . 61.409999999999997 109.294 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 630' ' ' ALA . . . . . 0.729 ' CA ' HG21 ' A' ' 63' ' ' VAL . . . . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.144 . . . . 73.25 109.248 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 0' ' ' HIS . . . . . . . . . . . . . 38.3 m170 . . . . . 0 N--CA 1.454 -0.26 0 N-CA-C 109.539 -0.541 . . . . 72.510000000000005 109.539 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.439 ' CE ' ' OG ' ' A' ' 7' ' ' SER . 8.9 ptm -147.11 -177.83 5.88 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.472 1.108 . . . . 71.219999999999999 111.011 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 27.8 mtmt -137.31 -50.38 0.63 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.557 1.161 . . . . 64.099999999999994 109.332 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 85.6 p -67.95 174.64 3.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 61.210000000000001 109.974 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.477 ' OG1' ' CG ' ' A' ' 47' ' ' ARG . 2.0 p -137.73 -85.46 0.3 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.552 1.157 . . . . 74.439999999999998 110.417 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.591 ' O ' ' CE1' ' A' ' 9' ' ' TYR . 9.5 t80 -64.05 -10.59 22.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 75.109999999999999 110.995 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 13.1 tmtt? -98.44 -15.02 19.8 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 72.109999999999999 109.194 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.439 ' OG ' ' CE ' ' A' ' 1' ' ' MET . 0.5 OUTLIER -110.16 5.15 21.71 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.527 1.142 . . . . 63.350000000000001 109.998 -179.921 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.563 ' HB3' ' CE2' ' A' ' 9' ' ' TYR . 0.0 OUTLIER -82.35 0.7 40.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 75.049999999999997 110.28 -179.945 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.591 ' CE1' ' O ' ' A' ' 5' ' ' PHE . 0.3 OUTLIER 179.55 169.77 0.61 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 62.130000000000003 110.98 -179.94 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 178.95 6.58 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.462 1.77 . . . . 44.439999999999998 110.987 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.565 ' HB2' HH21 ' A' ' 14' ' ' ARG . 4.4 t80 -71.08 -39.56 72.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 73.120000000000005 111.031 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.436 ' HA ' ' CD ' ' A' ' 15' ' ' LYS . 46.8 mt-10 -64.14 -10.78 24.86 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.513 1.133 . . . . 72.25 110.312 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -86.47 -58.14 2.73 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.501 1.125 . . . . 72.310000000000002 109.369 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.565 HH21 ' HB2' ' A' ' 11' ' ' PHE . 8.2 ptt180 -63.04 -45.08 93.95 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.483 1.115 . . . . 72.400000000000006 110.371 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.476 ' N ' ' CG ' ' A' ' 14' ' ' ARG . 39.0 pttt -47.4 -40.16 17.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.13 . . . . 63.020000000000003 109.255 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -68.36 -34.88 76.88 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.523 1.139 . . . . 52.130000000000003 109.311 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.72 ' HG2' HG11 ' B' ' 618' ' ' VAL . 24.8 tp10 -64.32 -39.81 94.65 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 64.25 110.361 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -74.95 -16.99 60.62 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.559 1.162 . . . . 73.400000000000006 110.054 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -75.09 -25.07 58.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.452 1.095 . . . . 72.310000000000002 110.309 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 13.3 ptm180 -101.82 -31.5 10.71 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.493 1.121 . . . . 74.030000000000001 110.281 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 3.9 mt -64.28 -19.6 25.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.488 1.117 . . . . 70.129999999999995 109.291 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -76.34 -14.43 60.09 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.474 1.109 . . . . 53.32 109.267 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -105.24 -39.43 6.19 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.46 1.1 . . . . 74.040000000000006 109.362 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.552 ' HB3' ' CE1' ' A' ' 25' ' ' PHE . 15.0 mmm-85 -68.07 -49.07 63.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.556 1.16 . . . . 72.200000000000003 110.231 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.552 ' CE1' ' HB3' ' A' ' 24' ' ' ARG . 0.9 OUTLIER -133.92 77.47 62.54 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.571 1.169 . . . . 64.319999999999993 110.943 -179.966 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 -24.95 12.32 Favored 'Trans proline' 0 C--N 1.358 1.068 0 O-C-N 124.528 1.804 . . . . 74.200000000000003 110.961 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 36.2 m-20 -91.94 21.97 4.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.438 1.087 . . . . 72.439999999999998 109.207 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.57 ' HB3' HD11 ' A' ' 50' ' ' LEU . 9.3 mmt-85 -114.41 -177.45 3.13 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.451 1.095 . . . . 75.129999999999995 110.245 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.638 HG23 ' CB ' ' A' ' 95' ' ' TYR . 35.8 mm -146.31 98.66 4.28 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.545 1.153 . . . . 73.209999999999994 109.351 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.563 ' HD2' ' CE1' ' A' ' 95' ' ' TYR . 18.4 Cg_endo -74.93 141.26 26.64 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.387 1.73 . . . . 64.019999999999996 110.97 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.804 HG23 ' HB3' ' A' ' 105' ' ' LEU . 5.5 p -159.92 152.77 5.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 75.340000000000003 109.309 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.506 ' CG2' ' CB ' ' A' ' 47' ' ' ARG . 21.8 mm -113.06 115.48 49.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.438 1.086 . . . . 65.239999999999995 109.319 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.584 ' SG ' HD12 ' A' ' 64' ' ' ILE . 1.0 OUTLIER -90.38 111.88 23.28 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 43.200000000000003 108.324 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.716 ' HA ' HH21 ' A' ' 47' ' ' ARG . 87.7 tt0 -113.44 153.93 27.82 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.509 1.131 . . . . 74.129999999999995 110.246 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.89 ' HZ3' ' CB ' ' A' ' 39' ' ' SER . 0.4 OUTLIER -93.17 121.29 34.38 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.444 1.09 . . . . 74.109999999999999 109.406 179.969 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.476 ' CB ' ' HB3' ' A' ' 110' ' ' SER . . . -52.93 172.83 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.136 . . . . 61.539999999999999 109.299 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.419 ' HG3' ' N ' ' A' ' 38' ' ' LYS . 18.7 pt-20 -96.73 -48.0 5.66 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.105 . . . . 72.099999999999994 110.318 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.419 ' N ' ' HG3' ' A' ' 37' ' ' GLU . 8.8 mttp -52.38 -47.12 66.38 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.493 1.12 . . . . 70.129999999999995 109.289 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.89 ' CB ' ' HZ3' ' A' ' 35' ' ' LYS . 0.1 OUTLIER -48.58 173.6 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.427 1.079 . . . . 61.219999999999999 110.028 -179.93 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -137.61 19.1 2.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 65.120000000000005 109.301 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.616 HG23 ' OG ' ' A' ' 39' ' ' SER . 0.1 OUTLIER -81.68 168.26 25.55 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.465 1.103 . . . . 75.430000000000007 109.221 -179.925 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.516 ' O ' HG21 ' A' ' 68' ' ' ILE . 18.2 Cg_endo -75.01 125.48 9.34 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.51 1.795 . . . . 64.400000000000006 111.012 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -63.82 148.6 48.91 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.546 1.153 . . . . 74.430000000000007 110.349 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.514 ' CD1' ' OH ' ' A' ' 49' ' ' TYR . 11.7 tt -69.01 170.37 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.581 1.176 . . . . 73.530000000000001 109.275 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.439 ' O ' ' NH1' ' B' ' 613' ' ' ARG . 15.4 t70 -75.06 -44.69 46.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 74.129999999999995 109.304 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.485 ' HZ1' ' HD2' ' A' ' 67' ' ' ARG . 0.1 OUTLIER -144.46 168.42 20.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.125 . . . . 72.310000000000002 109.258 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.716 HH21 ' HA ' ' A' ' 34' ' ' GLU . 0.7 OUTLIER -112.1 94.02 4.74 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.469 1.106 . . . . 73.310000000000002 110.312 -179.973 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.65 ' NZ ' ' CE1' ' A' ' 104' ' ' PHE . 0.0 OUTLIER -167.1 121.02 1.0 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.452 1.095 . . . . 65.409999999999997 109.326 -179.956 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.591 ' CE2' HD13 ' A' ' 64' ' ' ILE . 28.1 m-85 -146.9 108.46 4.31 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.504 1.128 . . . . 72.340000000000003 111.049 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.57 HD11 ' HB3' ' A' ' 28' ' ' ARG . 15.3 tp -104.41 76.72 1.33 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 74.329999999999998 109.248 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.709 HG11 ' CD1' ' A' ' 60' ' ' PHE . 28.8 m -77.19 157.25 81.19 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.396 1.06 . . . . 63.399999999999999 109.247 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 175.62 11.0 Favored 'Trans proline' 0 C--N 1.361 1.213 0 O-C-N 124.443 1.76 . . . . 72.439999999999998 111.029 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -87.99 17.96 4.57 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.585 1.178 . . . . 72.450000000000003 109.325 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -117.63 -38.14 3.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 72.409999999999997 109.311 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.501 ' CD1' ' O ' ' B' ' 630' ' ' ALA . 0.4 OUTLIER -57.48 133.8 55.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 73.349999999999994 109.22 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.409 HG23 ' OE1' ' A' ' 59' ' ' GLN . 0.7 OUTLIER -94.25 -173.85 3.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.577 1.173 . . . . 33.539999999999999 110.397 179.927 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 2.6 t -73.37 -42.54 57.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.427 1.079 . . . . 60.439999999999998 109.278 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -72.25 -6.6 65.5 Favored Glycine 0 CA--C 1.529 0.927 0 O-C-N 124.454 1.096 . . . . 73.230000000000004 111.058 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.423 ' CB ' ' HG ' ' A' ' 55' ' ' LEU . 14.5 mt-30 -99.29 -23.22 15.26 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 0.776 . . . . 74.530000000000001 110.312 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.709 ' CD1' HG11 ' A' ' 51' ' ' VAL . 34.1 t80 -76.68 -54.2 6.97 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.508 1.13 . . . . 73.030000000000001 110.96 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.757 HG13 ' CG2' ' A' ' 76' ' ' ILE . 90.7 t -40.08 -36.89 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.475 1.109 . . . . 73.010000000000005 109.29 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.568 ' CD1' ' HD3' ' A' ' 66' ' ' LYS . 0.5 OUTLIER -56.61 -54.53 44.98 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.497 1.123 . . . . 74.540000000000006 111.015 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.996 HG21 ' C ' ' B' ' 630' ' ' ALA . 77.5 t -58.63 -39.56 76.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.11 . . . . 65.319999999999993 109.289 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.627 HD11 ' CZ ' ' A' ' 60' ' ' PHE . 16.0 mm -59.45 -48.35 87.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.478 1.111 . . . . 74.049999999999997 109.334 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.499 HH21 HG22 ' A' ' 76' ' ' ILE . 9.7 tpp85 -61.97 -33.52 74.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 63.25 110.35 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.568 ' HD3' ' CD1' ' A' ' 62' ' ' TYR . 0.1 OUTLIER -61.8 -53.45 55.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 71.450000000000003 109.235 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.485 ' HD2' ' HZ1' ' A' ' 46' ' ' LYS . 1.2 mmp_? -48.6 -66.51 0.39 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.504 1.127 . . . . 74.150000000000006 110.31 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.813 HD11 HD12 ' A' ' 76' ' ' ILE . 5.5 pt -69.3 -7.65 8.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.505 1.128 . . . . 74.209999999999994 109.285 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.511 ' CG ' ' O ' ' A' ' 68' ' ' ILE . 6.7 ptp 43.47 41.18 3.13 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.495 1.122 . . . . 64.340000000000003 110.964 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.497 HD22 HD12 ' A' ' 68' ' ' ILE . 5.0 tp -62.28 141.03 96.31 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.597 1.186 . . . . 62.43 109.364 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.91 172.56 16.09 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.508 1.793 . . . . 75.310000000000002 111.022 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -2.87 13.11 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.496 1.788 . . . . 73.310000000000002 110.991 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -86.1 3.18 43.71 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.563 1.164 . . . . 75.109999999999999 110.324 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 10.5 mttp -133.73 -178.97 5.25 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.477 1.11 . . . . 74.239999999999995 109.253 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -139.15 177.11 8.14 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.462 1.101 . . . . 54.009999999999998 109.299 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.813 HD12 HD11 ' A' ' 68' ' ' ILE . 1.0 OUTLIER -161.83 116.51 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.439 1.087 . . . . 71.129999999999995 109.279 -179.951 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.474 ' CE1' ' HB2' ' A' ' 113' ' ' ASN . 82.4 m-85 -116.35 140.99 48.74 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 70.230000000000004 111.012 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.655 ' CG1' HG22 ' A' ' 61' ' ' VAL . 5.1 mm -84.18 150.83 3.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 O-C-N 124.558 1.162 . . . . 70.040000000000006 109.297 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' PHE . . . . . 0.511 ' CD1' HD12 ' A' ' 84' ' ' LEU . 2.8 m-85 -145.8 117.38 8.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 63.119999999999997 110.998 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.599 ' O ' HG22 ' A' ' 83' ' ' THR . 1.5 t -119.45 110.65 30.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.573 1.171 . . . . 75.209999999999994 109.365 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' ASN . . . . . 0.497 ' O ' ' CB ' ' A' ' 82' ' ' ASP . 3.1 m120 66.78 21.7 10.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.099 . . . . 74.420000000000002 109.29 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' ASP . . . . . 0.497 ' CB ' ' O ' ' A' ' 81' ' ' ASN . 4.1 m-20 81.66 21.14 0.33 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 75.129999999999995 109.304 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.599 HG22 ' O ' ' A' ' 80' ' ' VAL . 0.7 OUTLIER -124.58 135.08 52.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.145 . . . . 74.25 110.427 179.972 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.511 HD12 ' CD1' ' A' ' 79' ' ' PHE . 0.2 OUTLIER -95.6 111.14 54.55 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 64.219999999999999 109.285 -179.965 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 163.52 35.2 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.483 1.78 . . . . 73.140000000000001 111.007 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' PRO . . . . . 0.717 ' HG2' ' HB2' ' A' ' 89' ' ' ALA . 18.0 Cg_endo -75.08 -167.05 0.39 Allowed 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.493 1.786 . . . . 70.439999999999998 110.95 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 2.2 p -97.1 -35.34 10.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 62.409999999999997 110.365 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -82.39 5.28 20.89 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.458 1.099 . . . . 71.439999999999998 109.302 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 1.067 ' HB1' HD11 ' A' ' 94' ' ' ILE . . . -76.06 61.0 1.49 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.466 1.104 . . . . 73.430000000000007 109.292 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.593 ' C ' ' O ' ' A' ' 89' ' ' ALA . 0.3 OUTLIER -24.58 124.11 0.05 OUTLIER 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.537 1.148 . . . . 71.209999999999994 109.283 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 40.4 mmm -49.42 -21.29 0.87 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 71.209999999999994 111.004 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 3.2 p -68.54 -48.16 65.02 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.423 1.077 . . . . 61.219999999999999 109.932 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -73.56 -13.34 61.01 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.561 1.163 . . . . 70.439999999999998 109.379 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 1.067 HD11 ' HB1' ' A' ' 89' ' ' ALA . 18.3 mm -87.02 -43.46 15.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.458 1.099 . . . . 61.530000000000001 109.306 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 95' ' ' TYR . . . . . 0.711 ' CD1' HD23 ' A' ' 105' ' ' LEU . 2.2 t80 -76.02 -4.43 41.19 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.604 1.19 . . . . 52.140000000000001 111.039 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 96' ' ' GLN . . . . . 0.432 ' O ' ' CG ' ' A' ' 96' ' ' GLN . 1.6 tt0 -102.81 -10.78 18.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.562 1.164 . . . . 73.329999999999998 110.215 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -120.81 -6.16 9.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 70.129999999999995 110.254 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' HIS . . . . . 0.744 ' HB2' HD11 ' A' ' 105' ' ' LEU . 39.0 m170 -122.11 11.29 10.18 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.526 1.141 . . . . 62.030000000000001 109.571 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.495 ' HB3' ' O ' ' A' ' 95' ' ' TYR . 0.1 OUTLIER -67.37 157.83 33.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 60.420000000000002 109.287 -179.974 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 100' ' ' ASP . . . . . 0.43 ' O ' ' N ' ' A' ' 103' ' ' GLY . 0.1 OUTLIER -130.75 175.37 9.09 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.527 1.142 . . . . 64.510000000000005 109.275 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 36.9 mtmt -45.89 -50.45 14.43 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.491 1.119 . . . . 74.239999999999995 109.252 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' ASP . . . . . 0.412 ' HB3' ' CE2' ' A' ' 11' ' ' PHE . 0.4 OUTLIER -63.5 -31.77 73.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 52.350000000000001 109.234 -179.942 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 103' ' ' GLY . . . . . 0.43 ' N ' ' O ' ' A' ' 100' ' ' ASP . . . 100.62 -37.75 3.44 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.456 1.097 . . . . 42.140000000000001 110.979 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 104' ' ' PHE . . . . . 0.65 ' CE1' ' NZ ' ' A' ' 48' ' ' LYS . 2.9 m-85 -58.04 121.83 11.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 0.747 . . . . 73.230000000000004 110.972 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.804 ' HB3' HG23 ' A' ' 31' ' ' VAL . 0.3 OUTLIER -63.54 144.63 56.83 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.412 1.07 . . . . 74.420000000000002 109.302 179.945 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 106' ' ' TYR . . . . . 0.498 ' OH ' ' CZ ' ' A' ' 14' ' ' ARG . 34.7 m-85 -121.59 88.14 2.88 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 64.400000000000006 111.007 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.589 HG22 HG23 ' A' ' 78' ' ' ILE . 6.0 p -101.0 170.43 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.541 1.15 . . . . 71.319999999999993 109.289 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 108' ' ' THR . . . . . 0.513 HG23 ' HB3' ' A' ' 34' ' ' GLU . 0.2 OUTLIER -152.92 137.16 16.53 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.514 1.134 . . . . 74.209999999999994 110.402 -179.969 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 109' ' ' TYR . . . . . 0.768 ' CD2' HD11 ' A' ' 76' ' ' ILE . 41.3 p90 -118.57 134.7 54.9 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.444 1.09 . . . . 63.539999999999999 111.058 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 110' ' ' SER . . . . . 0.476 ' HB3' ' CB ' ' A' ' 36' ' ' ALA . 2.9 p -137.99 135.07 35.61 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.45 1.094 . . . . 73.5 110.043 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -57.53 -16.04 20.22 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.533 1.146 . . . . 54.340000000000003 110.932 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 112' ' ' GLU . . . . . 0.409 ' O ' ' OG ' ' A' ' 110' ' ' SER . 4.4 pt-20 -102.22 125.33 48.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.45 0.736 . . . . 65.25 110.275 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 113' ' ' ASN . . . . . 0.474 ' HB2' ' CE1' ' A' ' 77' ' ' PHE . 42.1 t30 -89.62 15.12 10.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.125 . . . . 71.129999999999995 109.296 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 114' ' ' THR . . . . . 0.6 HG22 ' H ' ' A' ' 115' ' ' PHE . 27.5 m -99.79 177.94 4.98 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.544 1.153 . . . . 73.219999999999999 110.364 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 115' ' ' PHE . . . . . 0.619 ' N ' ' CD1' ' A' ' 115' ' ' PHE . 0.2 OUTLIER -125.78 97.3 5.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.443 1.089 . . . . 74.329999999999998 111.036 179.946 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.054 0 O-C-N 124.522 1.139 . . . . 63.520000000000003 110.981 179.985 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 597' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.029 0 N-CA-C 110.987 -0.845 . . . . 75.340000000000003 110.987 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 598' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 178.41 7.27 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.52 1.8 . . . . 62.549999999999997 111.037 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 599' ' ' HIS . . . . . . . . . . . . . 55.6 p-80 -97.99 103.93 15.91 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.451 1.094 . . . . 61.329999999999998 109.566 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 600' ' ' MET . . . . . . . . . . . . . 1.3 mtt -133.4 178.72 6.7 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.501 1.126 . . . . 71.310000000000002 111.007 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 601' ' ' ILE . . . . . 0.704 HG22 ' H ' ' B' ' 602' ' ' SER . 0.5 OUTLIER -135.42 179.77 3.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 72.439999999999998 109.304 -179.949 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 602' ' ' SER . . . . . 0.704 ' H ' HG22 ' B' ' 601' ' ' ILE . 4.3 t -143.56 159.71 41.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 55.439999999999998 109.911 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 603' ' ' GLY . . . . . . . . . . . . . . . 130.65 -10.74 5.76 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.472 1.108 . . . . 71.310000000000002 111.004 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 604' ' ' LEU . . . . . . . . . . . . . 2.8 tp -97.83 125.48 42.7 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.449 0.735 . . . . 63.329999999999998 109.285 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 605' ' ' SER . . . . . . . . . . . . . 19.0 m -131.36 169.74 15.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.422 1.076 . . . . 73.049999999999997 110.055 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 606' ' ' VAL . . . . . 0.462 ' CG2' ' N ' ' B' ' 607' ' ' ILE . 0.9 OUTLIER -158.17 162.6 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 74.109999999999999 109.332 -179.914 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 607' ' ' ILE . . . . . 0.466 HG22 ' N ' ' B' ' 608' ' ' LYS . 5.6 mm -62.28 163.9 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 71.450000000000003 109.334 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 608' ' ' LYS . . . . . 0.466 ' N ' HG22 ' B' ' 607' ' ' ILE . 0.0 OUTLIER -127.75 139.35 52.73 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.542 1.152 . . . . 71.519999999999996 109.326 179.979 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 609' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -117.36 -174.21 2.56 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.443 1.09 . . . . 75.510000000000005 110.24 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 610' ' ' GLU . . . . . 0.842 ' O ' HG13 ' B' ' 611' ' ' VAL . 11.6 mm-40 -47.45 173.03 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.557 1.161 . . . . 74.310000000000002 110.255 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 611' ' ' VAL . . . . . 0.842 HG13 ' O ' ' B' ' 610' ' ' GLU . 0.7 OUTLIER -166.57 159.42 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.493 1.12 . . . . 74.530000000000001 109.354 179.95 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 612' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -131.99 -69.14 0.61 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.481 1.113 . . . . 72.219999999999999 110.264 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 613' ' ' ARG . . . . . 0.439 ' NH1' ' O ' ' A' ' 45' ' ' ASP . 16.8 ptp180 -117.76 -37.01 3.52 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.588 1.18 . . . . 71.310000000000002 110.368 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 614' ' ' LEU . . . . . 0.677 HD22 ' HZ3' ' B' ' 621' ' ' TRP . 2.7 pp -114.5 139.58 49.44 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.574 1.172 . . . . 75.010000000000005 109.295 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 615' ' ' GLY . . . . . 0.408 ' O ' ' O ' ' B' ' 616' ' ' ASN . . . -131.62 -42.68 0.18 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.519 1.137 . . . . 55.229999999999997 110.942 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 616' ' ' ASN . . . . . 0.411 ' O ' ' C ' ' B' ' 617' ' ' ASP . 6.0 t30 -53.04 -173.81 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.531 0.783 . . . . 73.319999999999993 109.251 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 617' ' ' ASP . . . . . 0.425 ' O ' HG13 ' B' ' 618' ' ' VAL . 76.6 m-20 -39.42 -89.32 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.56 1.163 . . . . 64.209999999999994 109.384 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 618' ' ' VAL . . . . . 0.72 HG11 ' HG2' ' A' ' 17' ' ' GLU . 0.1 OUTLIER -153.51 135.88 6.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 73.239999999999995 109.319 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 619' ' ' PHE . . . . . 0.511 ' HA ' ' CZ3' ' B' ' 621' ' ' TRP . 5.8 m-85 72.5 32.48 1.58 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.122 . . . . 72.230000000000004 111.054 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 620' ' ' GLU . . . . . . . . . . . . . 1.6 pp20? -50.08 -22.21 1.55 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 53.420000000000002 110.278 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 621' ' ' TRP . . . . . 0.677 ' HZ3' HD22 ' B' ' 614' ' ' LEU . 7.0 p90 -90.69 -179.38 5.52 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 107.974 -1.121 . . . . 73.319999999999993 107.974 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 622' ' ' GLU . . . . . 0.615 ' O ' ' CD1' ' B' ' 621' ' ' TRP . 0.2 OUTLIER -68.37 173.45 4.87 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.596 1.185 . . . . 64.150000000000006 110.326 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 623' ' ' ASP . . . . . 0.402 ' CG ' ' OE2' ' B' ' 628' ' ' GLU . 45.5 m-20 59.86 70.99 0.6 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 72.319999999999993 109.308 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 624' ' ' ASP . . . . . . . . . . . . . 10.2 t0 -79.95 -82.52 0.11 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.587 1.179 . . . . 63.210000000000001 109.27 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 625' ' ' GLU . . . . . 0.419 ' O ' ' C ' ' B' ' 626' ' ' SER . 1.7 pt-20 -84.76 9.65 13.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.578 1.174 . . . . 75.099999999999994 110.313 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 626' ' ' SER . . . . . 0.419 ' C ' ' O ' ' B' ' 625' ' ' GLU . 13.2 p -38.02 155.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 72.439999999999998 110.066 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 627' ' ' ASP . . . . . . . . . . . . . 22.5 p-10 -82.87 5.03 23.12 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.604 1.19 . . . . 61.450000000000003 109.342 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 628' ' ' GLU . . . . . 0.486 ' O ' ' CG1' ' A' ' 63' ' ' VAL . 5.9 pt-20 -76.06 -11.21 59.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.442 1.089 . . . . 70.040000000000006 110.331 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 629' ' ' ILE . . . . . 0.607 ' C ' HD12 ' B' ' 629' ' ' ILE . 1.5 pp -109.27 27.75 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.536 1.148 . . . . 61.409999999999997 109.313 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 630' ' ' ALA . . . . . 0.996 ' C ' HG21 ' A' ' 63' ' ' VAL . . . . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.54 1.15 . . . . 73.25 109.332 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 0' ' ' HIS . . . . . . . . . . . . . 68.2 m80 . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.562 -0.533 . . . . 72.510000000000005 109.562 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 35.8 mtp -80.95 -165.85 1.0 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.112 . . . . 71.219999999999999 111.003 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.68 -49.92 1.5 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.618 1.199 . . . . 64.099999999999994 109.246 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.449 ' CB ' ' HD3' ' A' ' 47' ' ' ARG . 13.1 m -105.53 154.34 20.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 61.210000000000001 109.948 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.442 ' O ' ' N ' ' A' ' 7' ' ' SER . 2.8 p -130.68 -77.06 0.53 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 74.439999999999998 110.411 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.622 ' CZ ' HG12 ' B' ' 618' ' ' VAL . 0.8 OUTLIER -47.43 -23.74 0.67 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.49 1.119 . . . . 75.109999999999999 111.001 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.472 ' HG3' ' CZ ' ' A' ' 14' ' ' ARG . 13.2 tttm -100.46 -26.56 13.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.112 . . . . 72.109999999999999 109.288 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.442 ' N ' ' O ' ' A' ' 4' ' ' THR . 0.6 OUTLIER -72.8 -3.67 26.88 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.608 1.193 . . . . 63.350000000000001 110.047 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.477 ' HB3' ' CD1' ' A' ' 9' ' ' TYR . 35.6 tt0 -85.05 -56.22 3.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 75.049999999999997 110.267 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.596 ' OH ' ' CE2' ' A' ' 5' ' ' PHE . 0.3 OUTLIER -121.06 168.93 9.81 Favored Pre-proline 0 C--N 1.324 -0.528 0 O-C-N 124.501 1.126 . . . . 62.130000000000003 111.003 179.972 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.433 ' CG ' ' HG3' ' B' ' 609' ' ' GLN . 18.1 Cg_endo -75.03 -176.76 3.04 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.547 1.814 . . . . 44.439999999999998 110.969 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.53 ' C ' ' CD1' ' A' ' 11' ' ' PHE . 0.2 OUTLIER -70.84 -36.58 72.95 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.129 . . . . 73.120000000000005 110.963 -179.961 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 -59.18 -20.24 52.13 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 72.25 110.339 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.45 ' CE ' ' HA ' ' A' ' 13' ' ' LYS . 1.3 tpmt? -77.68 -22.7 50.14 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.141 . . . . 72.310000000000002 109.257 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.601 ' NH2' HH21 ' A' ' 47' ' ' ARG . 0.2 OUTLIER -91.34 -39.16 12.18 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.434 1.084 . . . . 72.400000000000006 110.212 -179.899 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 40.5 pttt -60.99 -38.4 85.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 63.020000000000003 109.27 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -78.19 -21.32 50.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.103 . . . . 52.130000000000003 109.308 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.472 ' HG2' ' CG1' ' B' ' 618' ' ' VAL . 26.8 tp10 -75.32 -56.45 4.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 64.25 110.336 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 51.9 p -59.52 -15.74 19.95 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.613 1.195 . . . . 73.400000000000006 109.955 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -68.76 -23.34 64.31 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.492 1.12 . . . . 72.310000000000002 110.297 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 8.6 mtm180 -101.75 -37.98 8.07 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.514 1.134 . . . . 74.030000000000001 110.344 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 11.4 mt -59.16 -20.98 18.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.54 1.15 . . . . 70.129999999999995 109.292 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -76.2 -25.03 54.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.46 1.1 . . . . 53.32 109.289 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -92.9 -20.08 21.01 Favored 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.548 1.155 . . . . 74.040000000000006 109.283 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 7.1 mtp180 -90.12 -60.76 1.84 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 72.200000000000003 110.361 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -126.79 84.26 63.43 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 64.319999999999993 110.977 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 -24.5 12.85 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.588 1.836 . . . . 74.200000000000003 111.057 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.437 ' OD1' ' N ' ' A' ' 27' ' ' ASN . 0.1 OUTLIER -94.41 41.73 1.09 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.605 1.191 . . . . 72.439999999999998 109.333 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.503 ' O ' HD13 ' A' ' 29' ' ' ILE . 9.3 mmt85 -130.87 179.41 5.99 Favored 'General case' 0 C--N 1.327 -0.403 0 O-C-N 124.493 1.121 . . . . 75.129999999999995 110.187 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.503 HD13 ' O ' ' A' ' 28' ' ' ARG . 41.0 mm -141.4 97.59 6.76 Favored Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.475 1.11 . . . . 73.209999999999994 109.292 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.575 ' HD2' ' CE2' ' A' ' 95' ' ' TYR . 18.4 Cg_endo -75.03 126.45 9.96 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.514 1.797 . . . . 64.019999999999996 110.991 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.411 ' O ' ' O ' ' A' ' 49' ' ' TYR . 0.9 OUTLIER -137.16 173.73 12.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.51 1.131 . . . . 75.340000000000003 109.23 -179.965 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.662 HG22 ' HB2' ' A' ' 47' ' ' ARG . 6.2 mm -135.68 98.4 2.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.108 . . . . 65.239999999999995 109.297 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.646 ' HA ' HG13 ' A' ' 107' ' ' VAL . 1.7 t -73.64 136.65 43.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.543 1.152 . . . . 43.200000000000003 108.246 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.961 ' HB3' HG23 ' A' ' 108' ' ' THR . 8.5 tm-20 -144.37 161.13 39.76 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.491 1.119 . . . . 74.129999999999995 110.267 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.533 ' HG2' ' CE2' ' A' ' 109' ' ' TYR . 0.0 OUTLIER -117.44 128.45 55.02 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.439 1.087 . . . . 74.109999999999999 109.258 -179.949 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.422 ' N ' ' HD2' ' A' ' 35' ' ' LYS . . . -69.55 134.74 49.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.546 1.154 . . . . 61.539999999999999 109.338 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.426 ' CG ' ' N ' ' A' ' 38' ' ' LYS . 10.3 pt-20 -60.3 -53.25 59.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.571 1.169 . . . . 72.099999999999994 110.336 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.426 ' N ' ' CG ' ' A' ' 37' ' ' GLU . 10.6 mmmt -41.05 -45.0 2.56 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.632 1.207 . . . . 70.129999999999995 109.259 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.4 ' O ' ' O ' ' A' ' 38' ' ' LYS . 2.1 t -43.76 166.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 61.219999999999999 109.986 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 33.0 t0 -113.87 -5.97 13.22 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.128 . . . . 65.120000000000005 109.247 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.614 HD11 ' CE2' ' A' ' 109' ' ' TYR . 0.1 OUTLIER -74.39 165.65 51.68 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.536 1.147 . . . . 75.430000000000007 109.362 179.953 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.419 ' O ' HG21 ' A' ' 68' ' ' ILE . 18.2 Cg_endo -75.0 126.57 10.06 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.506 1.793 . . . . 64.400000000000006 110.983 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -63.47 145.22 56.06 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.464 1.103 . . . . 74.430000000000007 110.224 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.545 HD11 ' OH ' ' A' ' 49' ' ' TYR . 10.5 tt -68.82 160.94 4.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.432 1.083 . . . . 73.530000000000001 109.209 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.413 ' OD2' ' CD ' ' A' ' 46' ' ' LYS . 0.6 OUTLIER -64.27 -45.65 87.1 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.534 1.146 . . . . 74.129999999999995 109.293 179.951 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.575 ' HE2' ' CZ2' ' B' ' 621' ' ' TRP . 0.0 OUTLIER -153.81 163.03 40.72 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.459 1.099 . . . . 72.310000000000002 109.256 -179.905 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.662 ' HB2' HG22 ' A' ' 32' ' ' ILE . 9.2 ptm180 -109.48 95.49 5.66 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.463 1.102 . . . . 73.310000000000002 110.395 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.579 ' HB2' ' CD2' ' A' ' 5' ' ' PHE . 25.6 tptt -166.53 106.91 0.66 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 65.409999999999997 109.275 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.572 ' CE1' ' HB3' ' A' ' 33' ' ' CYS . 15.9 m-85 -133.36 150.46 51.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 72.340000000000003 111.074 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.446 HD13 ' HA ' ' A' ' 30' ' ' PRO . 6.9 tp -135.2 77.9 1.7 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.444 1.09 . . . . 74.329999999999998 109.311 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.737 HG11 ' CD1' ' A' ' 60' ' ' PHE . 16.0 m -79.6 151.3 74.22 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.501 1.126 . . . . 63.399999999999999 109.257 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.468 ' HD3' ' CB ' ' B' ' 630' ' ' ALA . 18.1 Cg_endo -75.06 -178.24 4.04 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.539 1.81 . . . . 72.439999999999998 110.879 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -93.81 17.84 11.35 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.434 1.083 . . . . 72.450000000000003 109.277 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.523 ' O ' ' CD2' ' A' ' 90' ' ' LEU . 0.2 OUTLIER -118.66 -35.58 3.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.632 1.207 . . . . 72.409999999999997 109.283 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.619 HD13 ' HB1' ' B' ' 630' ' ' ALA . 0.4 OUTLIER -60.71 132.42 53.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.417 1.073 . . . . 73.349999999999994 109.285 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.724 HG22 ' CD2' ' A' ' 90' ' ' LEU . 9.4 p -93.8 172.93 7.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.099 . . . . 33.539999999999999 110.382 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.4 ' HB ' ' O ' ' A' ' 86' ' ' PRO . 2.3 t -58.77 -55.59 22.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.582 1.176 . . . . 60.439999999999998 109.306 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -60.24 -13.99 31.1 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.568 1.167 . . . . 73.230000000000004 110.982 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.457 ' CG ' ' OG1' ' A' ' 56' ' ' THR . 3.6 mm100 -89.14 -26.47 21.3 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.504 0.767 . . . . 74.530000000000001 110.292 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.737 ' CD1' HG11 ' A' ' 51' ' ' VAL . 55.1 t80 -76.1 -49.54 17.13 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.426 1.079 . . . . 73.030000000000001 110.994 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.81 HG13 ' CG2' ' A' ' 76' ' ' ILE . 48.4 t -41.77 -41.11 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.543 1.152 . . . . 73.010000000000005 109.353 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -51.76 -44.59 63.41 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.444 1.09 . . . . 74.540000000000006 111.004 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.597 HG21 ' CA ' ' B' ' 630' ' ' ALA . 68.8 t -65.23 -45.37 93.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.368 1.043 . . . . 65.319999999999993 109.333 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.598 HG21 ' CG ' ' A' ' 109' ' ' TYR . 4.4 mm -60.47 -33.32 53.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 74.049999999999997 109.342 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.611 HH21 HG22 ' A' ' 76' ' ' ILE . 9.2 tpp85 -79.98 -3.28 47.66 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 63.25 110.25 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 1.2 mttm -93.46 -46.88 7.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.559 1.162 . . . . 71.450000000000003 109.342 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.416 ' HG3' HD11 ' A' ' 44' ' ' ILE . 4.2 mmp_? -52.7 -58.18 7.68 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.559 1.162 . . . . 74.150000000000006 110.264 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.498 ' O ' ' CG ' ' A' ' 69' ' ' MET . 7.1 pt -83.61 -3.47 7.62 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 O-C-N 124.519 1.137 . . . . 74.209999999999994 109.331 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.498 ' CG ' ' O ' ' A' ' 68' ' ' ILE . 4.9 ptp 42.77 44.03 3.64 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.438 1.086 . . . . 64.340000000000003 110.981 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.468 ' HB3' ' CD ' ' A' ' 65' ' ' ARG . 5.0 tp -62.59 140.91 96.9 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.641 1.213 . . . . 62.43 109.316 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 169.82 21.78 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.441 1.758 . . . . 75.310000000000002 111.002 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -74.94 -0.43 9.93 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.555 1.818 . . . . 73.310000000000002 110.999 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -92.0 6.6 45.74 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.544 1.153 . . . . 75.109999999999999 110.269 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.05 -179.37 4.13 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.521 1.138 . . . . 74.239999999999995 109.308 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -138.54 143.68 39.58 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.476 1.11 . . . . 54.009999999999998 109.248 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.81 ' CG2' HG13 ' A' ' 61' ' ' VAL . 2.1 tt -138.17 121.44 20.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.442 1.089 . . . . 71.129999999999995 109.297 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.668 ' HB3' HD21 ' A' ' 84' ' ' LEU . 90.9 m-85 -119.38 134.87 55.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.442 1.089 . . . . 70.230000000000004 110.999 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.596 ' O ' HD23 ' A' ' 84' ' ' LEU . 1.9 mm -84.39 138.03 19.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 70.040000000000006 109.268 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' PHE . . . . . 0.485 ' CE1' ' HB3' ' A' ' 115' ' ' PHE . 6.5 m-85 -127.28 125.2 40.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 63.119999999999997 111.056 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.734 ' O ' HG22 ' A' ' 83' ' ' THR . 2.6 t -130.16 105.85 12.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.54 1.15 . . . . 75.209999999999994 109.34 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' ASN . . . . . 0.465 ' O ' ' CB ' ' A' ' 82' ' ' ASP . 1.7 m120 71.2 21.93 4.57 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.487 1.117 . . . . 74.420000000000002 109.275 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' ASP . . . . . 0.465 ' CB ' ' O ' ' A' ' 81' ' ' ASN . 1.0 OUTLIER 80.69 24.51 0.32 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.52 1.138 . . . . 75.129999999999995 109.274 179.964 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.734 HG22 ' O ' ' A' ' 80' ' ' VAL . 1.2 t -125.51 148.33 48.92 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.408 1.067 . . . . 74.25 110.429 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.668 HD21 ' HB3' ' A' ' 77' ' ' PHE . 1.8 mt -106.15 105.35 53.51 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 64.219999999999999 109.252 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.1 153.24 41.15 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.551 1.816 . . . . 73.140000000000001 111.024 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' PRO . . . . . 0.726 ' HD2' ' HB2' ' A' ' 89' ' ' ALA . 18.6 Cg_endo -74.88 177.01 9.11 Favored 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.535 1.808 . . . . 70.439999999999998 111.049 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 20.8 p -78.29 -33.24 49.54 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.424 1.078 . . . . 62.409999999999997 110.421 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -79.63 3.37 19.24 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 124.531 1.144 . . . . 71.439999999999998 109.266 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 1.048 ' HB1' HD11 ' A' ' 94' ' ' ILE . . . -77.49 60.34 2.07 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.375 1.047 . . . . 73.430000000000007 109.342 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.724 ' CD2' HG22 ' A' ' 56' ' ' THR . 12.9 mt -28.98 117.94 0.12 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.44 1.088 . . . . 71.209999999999994 109.334 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 91' ' ' MET . . . . . 0.591 ' HE2' HG21 ' A' ' 51' ' ' VAL . 49.5 mmm -38.55 -28.92 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.506 1.129 . . . . 71.209999999999994 110.993 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' SER . . . . . 0.454 ' N ' ' O ' ' A' ' 90' ' ' LEU . 1.0 OUTLIER -66.7 -51.92 50.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.457 1.098 . . . . 61.219999999999999 109.948 -179.959 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.448 ' N ' ' O ' ' A' ' 90' ' ' LEU . . . -68.37 -9.41 47.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.541 1.151 . . . . 70.439999999999998 109.292 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 1.048 HD11 ' HB1' ' A' ' 89' ' ' ALA . 24.1 mm -90.8 -47.07 14.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.457 1.098 . . . . 61.530000000000001 109.247 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 95' ' ' TYR . . . . . 0.833 ' CD2' HD23 ' A' ' 105' ' ' LEU . 7.1 t80 -70.04 -6.31 32.68 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.557 1.161 . . . . 52.140000000000001 111.073 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 96' ' ' GLN . . . . . 0.448 ' O ' ' CG ' ' A' ' 96' ' ' GLN . 2.3 tp60 -101.01 -9.84 21.08 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.41 1.069 . . . . 73.329999999999998 110.293 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -116.93 -11.46 10.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.14 . . . . 70.129999999999995 110.243 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' HIS . . . . . 0.402 ' HB2' HD11 ' A' ' 105' ' ' LEU . 32.6 m170 -125.97 16.91 7.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.45 1.093 . . . . 62.030000000000001 109.668 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.474 ' HB3' ' O ' ' A' ' 95' ' ' TYR . 0.1 OUTLIER -55.46 156.51 4.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.548 1.155 . . . . 60.420000000000002 109.195 -179.875 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -125.02 170.16 11.42 Favored 'General case' 0 C--N 1.326 -0.413 0 O-C-N 124.485 1.116 . . . . 64.510000000000005 109.269 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 32.6 mtmt -60.03 -27.04 66.57 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 74.239999999999995 109.347 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' ASP . . . . . 0.475 ' HB3' ' CE2' ' A' ' 11' ' ' PHE . 0.5 OUTLIER -86.19 -15.92 39.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.433 1.083 . . . . 52.350000000000001 109.243 -179.972 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 103' ' ' GLY . . . . . 0.591 ' O ' ' CE2' ' A' ' 95' ' ' TYR . . . 90.63 -36.45 3.59 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.513 1.133 . . . . 42.140000000000001 110.948 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 18.4 m-85 -64.12 131.67 48.19 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.429 0.723 . . . . 73.230000000000004 110.991 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.833 HD23 ' CD2' ' A' ' 95' ' ' TYR . 0.2 OUTLIER -75.55 147.88 39.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.607 1.192 . . . . 74.420000000000002 109.414 179.964 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 60.0 m-85 -121.95 95.24 4.58 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.415 1.072 . . . . 64.400000000000006 111.038 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.646 HG13 ' HA ' ' A' ' 33' ' ' CYS . 2.6 p -105.23 165.57 3.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.527 1.142 . . . . 71.319999999999993 109.372 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 108' ' ' THR . . . . . 0.961 HG23 ' HB3' ' A' ' 34' ' ' GLU . 0.4 OUTLIER -154.57 118.2 4.59 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.122 . . . . 74.209999999999994 110.382 179.967 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 109' ' ' TYR . . . . . 0.664 ' CD2' HD11 ' A' ' 76' ' ' ILE . 32.6 p90 -97.76 137.49 36.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.455 1.097 . . . . 63.539999999999999 110.976 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 1.2 p -132.3 158.22 42.42 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.532 1.145 . . . . 73.5 110.001 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 111' ' ' GLY . . . . . 0.478 ' HA3' ' CG2' ' A' ' 41' ' ' ILE . . . -81.87 0.95 87.77 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.473 1.108 . . . . 54.340000000000003 110.995 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -122.83 158.96 29.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 0.774 . . . . 65.25 110.387 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 113' ' ' ASN . . . . . 0.534 ' O ' ' ND2' ' A' ' 113' ' ' ASN . 1.9 t30 -102.85 -3.9 25.62 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.425 1.078 . . . . 71.129999999999995 109.327 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -71.8 151.65 43.31 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.517 1.136 . . . . 73.219999999999999 110.429 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 115' ' ' PHE . . . . . 0.485 ' HB3' ' CE1' ' A' ' 79' ' ' PHE . 1.0 OUTLIER -143.77 71.19 1.32 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.45 1.094 . . . . 74.329999999999998 111.034 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 O-C-N 124.562 1.164 . . . . 63.520000000000003 110.965 179.914 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 597' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 N-CA-C 110.932 -0.867 . . . . 75.340000000000003 110.932 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 598' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 121.9 6.88 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.436 1.756 . . . . 62.549999999999997 110.966 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 599' ' ' HIS . . . . . . . . . . . . . 63.9 t-80 -98.65 137.23 37.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.418 1.074 . . . . 61.329999999999998 109.555 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 600' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -103.47 164.67 11.51 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.442 1.089 . . . . 71.310000000000002 110.92 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 601' ' ' ILE . . . . . 0.457 HD13 ' HA ' ' B' ' 601' ' ' ILE . 17.1 mm -110.07 -16.17 9.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.582 1.176 . . . . 72.439999999999998 109.304 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 602' ' ' SER . . . . . . . . . . . . . 4.2 m 51.12 51.39 17.1 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.387 1.055 . . . . 55.439999999999998 109.921 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 603' ' ' GLY . . . . . . . . . . . . . . . -126.69 -143.05 5.76 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.515 1.135 . . . . 71.310000000000002 111.083 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 604' ' ' LEU . . . . . . . . . . . . . 1.2 pt? -130.48 141.51 50.51 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.437 0.728 . . . . 63.329999999999998 109.275 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 605' ' ' SER . . . . . . . . . . . . . 2.0 t -169.17 175.18 5.8 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.592 1.182 . . . . 73.049999999999997 110.042 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 606' ' ' VAL . . . . . . . . . . . . . 6.3 m -78.35 172.04 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.437 1.086 . . . . 74.109999999999999 109.373 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 607' ' ' ILE . . . . . 0.652 HD13 ' N ' ' B' ' 607' ' ' ILE . 1.8 mm -74.88 157.31 6.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.582 1.176 . . . . 71.450000000000003 109.305 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 608' ' ' LYS . . . . . . . . . . . . . 63.0 mttt -133.95 102.14 5.32 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.496 1.123 . . . . 71.519999999999996 109.281 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 609' ' ' GLN . . . . . 0.433 ' HG3' ' CG ' ' A' ' 10' ' ' PRO . 6.1 mp0 -118.61 142.61 47.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.596 1.185 . . . . 75.510000000000005 110.235 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 610' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -119.92 -179.52 3.94 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.595 1.184 . . . . 74.310000000000002 110.219 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 611' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -148.13 137.77 16.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.475 1.109 . . . . 74.530000000000001 109.323 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 612' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -122.52 -52.92 1.91 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.506 1.129 . . . . 72.219999999999999 110.256 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 613' ' ' ARG . . . . . 0.654 ' CG ' HD12 ' B' ' 614' ' ' LEU . 18.9 ptt180 -138.01 -45.11 0.52 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.435 1.084 . . . . 71.310000000000002 110.328 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 614' ' ' LEU . . . . . 0.797 HD21 ' CZ3' ' B' ' 621' ' ' TRP . 4.2 mp -67.86 -114.99 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.1 . . . . 75.010000000000005 109.276 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 615' ' ' GLY . . . . . . . . . . . . . . . 142.8 -133.16 5.41 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.464 1.102 . . . . 55.229999999999997 110.935 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 616' ' ' ASN . . . . . . . . . . . . . 21.1 t-20 -65.16 -57.52 8.35 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 0.762 . . . . 73.319999999999993 109.298 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 617' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -54.99 -169.8 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.519 1.137 . . . . 64.209999999999994 109.263 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 618' ' ' VAL . . . . . 0.622 HG12 ' CZ ' ' A' ' 5' ' ' PHE . 0.0 OUTLIER -130.88 57.69 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.579 1.175 . . . . 73.239999999999995 109.27 179.977 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 619' ' ' PHE . . . . . 0.649 ' N ' HD23 ' B' ' 614' ' ' LEU . 2.4 m-85 178.67 -85.28 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.555 1.159 . . . . 72.230000000000004 110.988 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 620' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 64.14 11.16 6.02 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.449 1.093 . . . . 53.420000000000002 110.291 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 621' ' ' TRP . . . . . 0.797 ' CZ3' HD21 ' B' ' 614' ' ' LEU . 1.4 p90 -133.65 179.22 6.36 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 108.008 -1.108 . . . . 73.319999999999993 108.008 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 622' ' ' GLU . . . . . 0.523 ' O ' ' CD1' ' B' ' 621' ' ' TRP . 12.9 tp10 -42.87 166.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.123 . . . . 64.150000000000006 110.32 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 623' ' ' ASP . . . . . 0.405 ' CG ' ' OE1' ' B' ' 628' ' ' GLU . 1.2 m-20 46.13 82.94 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.468 1.105 . . . . 72.319999999999993 109.356 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 624' ' ' ASP . . . . . 0.559 ' O ' ' CE2' ' B' ' 619' ' ' PHE . 1.2 t70 -76.14 -69.36 0.51 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.494 1.121 . . . . 63.210000000000001 109.284 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 625' ' ' GLU . . . . . 0.455 ' O ' ' C ' ' B' ' 626' ' ' SER . 1.9 pp20? -118.8 -8.24 10.35 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.47 1.106 . . . . 75.099999999999994 110.283 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 626' ' ' SER . . . . . 0.455 ' C ' ' O ' ' B' ' 625' ' ' GLU . 52.5 p -35.26 142.75 0.05 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.46 1.1 . . . . 72.439999999999998 109.971 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 627' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -82.33 5.87 18.83 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.544 1.152 . . . . 61.450000000000003 109.335 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 628' ' ' GLU . . . . . 0.405 ' OE1' ' CG ' ' B' ' 623' ' ' ASP . 5.8 pt-20 -58.6 -25.3 62.49 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.511 1.132 . . . . 70.040000000000006 110.292 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 629' ' ' ILE . . . . . 0.585 ' HA ' HG11 ' A' ' 63' ' ' VAL . 0.5 OUTLIER -89.09 15.13 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 O-C-N 124.499 1.124 . . . . 61.409999999999997 109.209 -179.968 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 630' ' ' ALA . . . . . 0.619 ' HB1' HD13 ' A' ' 55' ' ' LEU . . . . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 73.25 109.284 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 0' ' ' HIS . . . . . . . . . . . . . 41.8 m170 . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 109.546 -0.539 . . . . 72.510000000000005 109.546 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.426 ' HE1' HG22 ' A' ' 4' ' ' THR . 9.1 ptm -44.48 163.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.565 1.165 . . . . 71.219999999999999 110.993 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 44.6 mttt -121.34 -44.91 2.35 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.486 1.116 . . . . 64.099999999999994 109.371 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.517 ' HA ' ' CZ ' ' A' ' 47' ' ' ARG . 17.5 m -127.8 160.18 32.55 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 61.210000000000001 109.978 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.426 HG22 ' HE1' ' A' ' 1' ' ' MET . 0.9 OUTLIER -113.75 -82.13 0.6 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.365 1.041 . . . . 74.439999999999998 110.332 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.71 ' CE2' HG12 ' B' ' 618' ' ' VAL . 28.7 t80 -63.95 -16.97 62.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.54 1.15 . . . . 75.109999999999999 111.109 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.54 ' HE2' ' CE2' ' A' ' 106' ' ' TYR . 4.9 tptt -100.64 -14.99 17.92 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.487 1.117 . . . . 72.109999999999999 109.312 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.463 ' CB ' ' O ' ' A' ' 3' ' ' SER . 10.0 t -96.03 5.28 51.53 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.524 1.14 . . . . 63.350000000000001 110.005 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.835 ' HG2' HD12 ' B' ' 614' ' ' LEU . 9.3 tp10 -80.9 -64.67 1.14 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.553 1.158 . . . . 75.049999999999997 110.27 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.641 ' OH ' ' CZ ' ' A' ' 5' ' ' PHE . 4.7 p90 -112.5 166.39 11.09 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.456 1.097 . . . . 62.130000000000003 111.008 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -74.97 -176.76 3.03 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.514 1.797 . . . . 44.439999999999998 111.056 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.458 ' CE1' ' HD3' ' A' ' 15' ' ' LYS . 22.7 t80 -63.86 -50.21 69.73 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.515 1.134 . . . . 73.120000000000005 111.004 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 25.6 mt-10 -47.78 -21.1 0.35 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.553 1.158 . . . . 72.25 110.347 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.52 ' HB3' ' CD2' ' A' ' 9' ' ' TYR . 0.1 OUTLIER -86.55 -54.5 4.37 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.548 1.155 . . . . 72.310000000000002 109.311 179.945 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.507 ' CZ ' ' OH ' ' A' ' 106' ' ' TYR . 22.0 ptt180 -65.47 -12.89 56.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 72.400000000000006 110.271 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.458 ' HD3' ' CE1' ' A' ' 11' ' ' PHE . 26.3 pttt -87.94 -40.62 13.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.549 1.156 . . . . 63.020000000000003 109.293 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -80.55 -8.43 59.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.573 1.17 . . . . 52.130000000000003 109.302 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.767 ' CD ' HG21 ' B' ' 618' ' ' VAL . 3.3 tp10 -86.7 -61.98 1.61 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.519 1.137 . . . . 64.25 110.322 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.404 ' OG ' ' O ' ' A' ' 14' ' ' ARG . 0.0 OUTLIER -56.55 -17.99 10.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.102 . . . . 73.400000000000006 109.937 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -75.25 -37.37 61.02 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.463 1.102 . . . . 72.310000000000002 110.286 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.413 ' CG ' ' O ' ' A' ' 17' ' ' GLU . 6.3 ptm180 -87.19 -27.77 22.81 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.397 1.06 . . . . 74.030000000000001 110.253 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.432 ' O ' ' N ' ' A' ' 25' ' ' PHE . 3.6 mt -58.55 -19.84 15.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.129 . . . . 70.129999999999995 109.321 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -70.48 -29.79 66.42 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.515 1.135 . . . . 53.32 109.298 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -84.12 -40.0 18.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.569 1.168 . . . . 74.040000000000006 109.284 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.56 ' HB3' ' CE2' ' A' ' 25' ' ' PHE . 10.7 mtp180 -80.29 -18.47 49.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.577 1.173 . . . . 72.200000000000003 110.302 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.56 ' CE2' ' HB3' ' A' ' 24' ' ' ARG . 39.7 m-85 -159.37 75.36 3.21 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 64.319999999999993 110.997 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -38.07 1.73 Allowed 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.491 1.785 . . . . 74.200000000000003 110.947 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 35.1 m-20 -91.74 41.48 1.07 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 72.439999999999998 109.314 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.56 ' HB3' HD11 ' A' ' 50' ' ' LEU . 2.6 mmt-85 -129.6 -178.43 4.68 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.127 . . . . 75.129999999999995 110.327 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.576 HG23 ' CB ' ' A' ' 95' ' ' TYR . 34.9 mm -146.56 97.11 4.35 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.462 1.101 . . . . 73.209999999999994 109.254 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.592 ' HD2' ' CE2' ' A' ' 95' ' ' TYR . 18.4 Cg_endo -74.93 139.93 25.04 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.48 1.779 . . . . 64.019999999999996 111.007 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.7 HG23 ' HB3' ' A' ' 105' ' ' LEU . 7.5 p -156.96 139.57 6.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 75.340000000000003 109.312 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.48 HG23 ' HB2' ' A' ' 47' ' ' ARG . 12.3 mm -100.24 116.77 44.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 65.239999999999995 109.352 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.576 ' HB2' ' CD2' ' A' ' 49' ' ' TYR . 0.5 OUTLIER -99.56 130.36 45.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 43.200000000000003 108.258 -179.948 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.733 ' CG ' HG23 ' A' ' 108' ' ' THR . 7.6 pt-20 -127.4 166.07 18.58 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 74.129999999999995 110.267 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.512 ' HG2' ' CE1' ' A' ' 109' ' ' TYR . 0.0 OUTLIER -107.62 97.41 7.14 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.484 1.115 . . . . 74.109999999999999 109.231 -179.922 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.566 ' HB2' HG22 ' A' ' 108' ' ' THR . . . -38.7 141.93 0.24 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.432 1.083 . . . . 61.539999999999999 109.303 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.422 ' CG ' ' N ' ' A' ' 38' ' ' LYS . 9.9 pt-20 -67.95 -53.07 29.0 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.467 1.104 . . . . 72.099999999999994 110.242 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.422 ' N ' ' CG ' ' A' ' 37' ' ' GLU . 35.9 mttp -47.16 -25.29 0.86 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.453 1.095 . . . . 70.129999999999995 109.306 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.413 ' N ' ' C ' ' A' ' 37' ' ' GLU . 2.9 t -59.79 156.69 13.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 61.219999999999999 110.034 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -115.95 -0.58 12.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.111 . . . . 65.120000000000005 109.334 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.577 HD11 ' CE1' ' A' ' 109' ' ' TYR . 0.1 OUTLIER -77.78 170.08 17.97 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 75.430000000000007 109.297 -179.971 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.406 ' HD2' ' HB ' ' A' ' 41' ' ' ILE . 18.2 Cg_endo -75.02 129.34 12.24 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.599 1.842 . . . . 64.400000000000006 110.93 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 14.0 tt0 -57.96 166.34 1.53 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.432 1.082 . . . . 74.430000000000007 110.285 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.41 HD11 ' OH ' ' A' ' 49' ' ' TYR . 17.3 tt -96.54 167.37 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 73.530000000000001 109.217 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.653 ' HB3' ' HZ3' ' A' ' 46' ' ' LYS . 7.9 t0 -69.23 -51.75 34.62 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.415 1.072 . . . . 74.129999999999995 109.356 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.653 ' HZ3' ' HB3' ' A' ' 45' ' ' ASP . 0.0 OUTLIER -144.45 177.07 8.91 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.524 1.14 . . . . 72.310000000000002 109.363 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.517 ' CZ ' ' HA ' ' A' ' 3' ' ' SER . 7.7 ptp180 -124.42 92.74 3.73 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 73.310000000000002 110.291 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.591 ' HG3' ' CZ ' ' A' ' 5' ' ' PHE . 4.1 tmtt? -167.69 115.09 0.75 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.443 1.089 . . . . 65.409999999999997 109.3 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.642 ' CZ ' ' CD1' ' A' ' 64' ' ' ILE . 58.5 m-85 -139.21 116.11 10.88 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.542 1.151 . . . . 72.340000000000003 110.946 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.56 HD11 ' HB3' ' A' ' 28' ' ' ARG . 11.6 tp -106.32 75.55 1.09 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 74.329999999999998 109.243 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.832 HG21 ' SD ' ' A' ' 91' ' ' MET . 34.1 m -75.11 156.06 86.07 Favored Pre-proline 0 C--N 1.324 -0.536 0 O-C-N 124.492 1.12 . . . . 63.399999999999999 109.312 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -74.88 174.3 12.99 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.411 1.743 . . . . 72.439999999999998 111.055 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -87.38 18.81 3.57 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 72.450000000000003 109.355 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -120.11 -38.38 2.94 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 72.409999999999997 109.359 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.594 HD21 ' O ' ' B' ' 630' ' ' ALA . 0.7 OUTLIER -58.53 148.93 26.84 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.44 1.088 . . . . 73.349999999999994 109.269 179.944 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.484 HG22 HD12 ' A' ' 90' ' ' LEU . 1.3 p -106.61 -158.2 0.65 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 33.539999999999999 110.405 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.682 ' O ' HG23 ' A' ' 61' ' ' VAL . 2.6 t -86.81 -41.37 14.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 60.439999999999998 109.192 -179.917 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -66.73 -27.73 73.42 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.5 1.125 . . . . 73.230000000000004 111.044 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.417 ' CB ' ' HG ' ' A' ' 55' ' ' LEU . 28.7 mt-30 -81.16 -25.52 36.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 0.776 . . . . 74.530000000000001 110.275 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.407 ' HE1' ' CD1' ' A' ' 49' ' ' TYR . 36.0 t80 -78.85 -42.6 27.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 73.030000000000001 110.988 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.719 HG13 HG23 ' A' ' 76' ' ' ILE . 89.6 t -55.43 -32.52 29.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 73.010000000000005 109.297 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -57.11 -43.29 82.14 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.518 1.136 . . . . 74.540000000000006 110.939 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.602 HG21 ' C ' ' B' ' 630' ' ' ALA . 28.5 t -68.64 -46.5 79.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 65.319999999999993 109.328 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.642 ' CD1' ' CZ ' ' A' ' 49' ' ' TYR . 18.3 mm -59.2 -34.41 53.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.591 1.182 . . . . 74.049999999999997 109.334 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.533 ' HE ' HG22 ' A' ' 76' ' ' ILE . 6.0 tpp85 -79.36 -6.4 56.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 63.25 110.369 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 2.2 mttm -98.0 -35.69 10.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.453 1.096 . . . . 71.450000000000003 109.295 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.45 -39.79 84.78 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.565 1.165 . . . . 74.150000000000006 110.299 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.485 HD11 HD12 ' A' ' 76' ' ' ILE . 2.5 pt -103.89 6.96 10.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.461 1.101 . . . . 74.209999999999994 109.253 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 4.7 ptt? 38.11 43.42 0.56 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.443 1.089 . . . . 64.340000000000003 110.972 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.44 HD12 ' HA ' ' A' ' 70' ' ' LEU . 5.5 tp -53.47 140.48 46.23 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.424 1.077 . . . . 62.43 109.316 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 170.1 21.15 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.489 1.784 . . . . 75.310000000000002 111.003 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.92 -1.36 11.1 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.515 1.797 . . . . 73.310000000000002 110.977 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 20.1 pt-20 -94.12 -14.91 25.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.109 . . . . 75.109999999999999 110.337 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 11.8 mttt -107.43 -179.5 3.94 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.122 . . . . 74.239999999999995 109.29 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -144.71 170.26 16.42 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.467 1.105 . . . . 54.009999999999998 109.36 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.811 HD11 ' CD1' ' A' ' 109' ' ' TYR . 1.3 tt -154.49 129.44 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 71.129999999999995 109.311 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.723 ' HB3' HD11 ' A' ' 84' ' ' LEU . 95.7 m-85 -129.07 136.36 50.15 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.459 1.099 . . . . 70.230000000000004 110.997 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.647 ' CG1' HG22 ' A' ' 61' ' ' VAL . 4.8 mm -86.49 130.64 36.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.456 1.097 . . . . 70.040000000000006 109.31 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' PHE . . . . . 0.443 ' CZ ' ' O ' ' A' ' 114' ' ' THR . 4.1 m-85 -119.98 121.17 38.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.572 1.17 . . . . 63.119999999999997 111.039 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.664 HG22 ' OD1' ' A' ' 81' ' ' ASN . 13.1 p -124.33 113.58 37.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 75.209999999999994 109.311 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' ASN . . . . . 0.664 ' OD1' HG22 ' A' ' 80' ' ' VAL . 1.2 m120 67.25 32.44 6.0 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.467 1.104 . . . . 74.420000000000002 109.315 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 15.1 t0 66.35 14.54 9.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.423 1.077 . . . . 75.129999999999995 109.297 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.51 ' O ' ' CG2' ' A' ' 83' ' ' THR . 0.5 OUTLIER -125.45 111.75 15.46 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.436 1.085 . . . . 74.25 110.382 -179.961 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.723 HD11 ' HB3' ' A' ' 77' ' ' PHE . 0.4 OUTLIER -72.11 116.87 53.07 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.539 1.149 . . . . 64.219999999999999 109.32 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 85' ' ' PRO . . . . . 0.423 ' HD3' HG12 ' A' ' 80' ' ' VAL . 18.3 Cg_endo -74.91 159.87 41.12 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.375 1.724 . . . . 73.140000000000001 111.005 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' PRO . . . . . 0.786 ' HD2' ' HB2' ' A' ' 89' ' ' ALA . 18.8 Cg_endo -75.0 177.85 8.05 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.544 1.813 . . . . 70.439999999999998 111.003 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 4.6 p -79.33 -33.6 42.97 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.507 1.13 . . . . 62.409999999999997 110.403 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -84.08 9.62 12.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.1 . . . . 71.439999999999998 109.347 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 1.052 ' HB1' HD11 ' A' ' 94' ' ' ILE . . . -74.71 63.2 1.12 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 73.430000000000007 109.27 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.531 ' C ' ' O ' ' A' ' 89' ' ' ALA . 0.7 OUTLIER -30.37 111.19 0.07 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 71.209999999999994 109.333 179.97 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 91' ' ' MET . . . . . 0.832 ' SD ' HG21 ' A' ' 51' ' ' VAL . 0.0 OUTLIER -37.37 -30.27 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.135 . . . . 71.209999999999994 110.961 -179.965 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 92' ' ' SER . . . . . 0.46 ' N ' ' O ' ' A' ' 90' ' ' LEU . 2.2 t -63.37 -52.23 62.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.146 . . . . 61.219999999999999 110.009 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.463 ' N ' ' O ' ' A' ' 90' ' ' LEU . . . -67.99 -32.45 72.85 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.456 1.097 . . . . 70.439999999999998 109.207 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 1.052 HD11 ' HB1' ' A' ' 89' ' ' ALA . 25.5 mm -64.49 -47.1 90.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.426 1.079 . . . . 61.530000000000001 109.308 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 95' ' ' TYR . . . . . 0.592 ' CE2' ' HD2' ' A' ' 30' ' ' PRO . 33.6 t80 -70.54 -4.58 23.7 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.465 1.103 . . . . 52.140000000000001 110.935 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 96' ' ' GLN . . . . . 0.454 ' O ' ' CG ' ' A' ' 96' ' ' GLN . 32.3 tp60 -104.19 -9.21 18.82 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.406 1.067 . . . . 73.329999999999998 110.383 179.882 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 97' ' ' GLU . . . . . 0.569 ' HG3' ' CD2' ' A' ' 98' ' ' HIS . 10.4 pt-20 -119.59 -7.61 10.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.142 . . . . 70.129999999999995 110.307 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 98' ' ' HIS . . . . . 0.569 ' CD2' ' HG3' ' A' ' 97' ' ' GLU . 28.5 m170 -129.51 17.6 5.88 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.384 1.052 . . . . 62.030000000000001 109.627 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.494 ' HB3' ' O ' ' A' ' 95' ' ' TYR . 0.1 OUTLIER -60.29 160.25 8.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 60.420000000000002 109.293 -180.0 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -125.91 166.3 17.15 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 64.510000000000005 109.284 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 24.4 mtmt -54.02 -47.47 71.5 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.536 1.148 . . . . 74.239999999999995 109.292 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' ASP . . . . . 0.405 ' OD1' ' NE ' ' A' ' 14' ' ' ARG . 0.4 OUTLIER -66.95 -19.95 65.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.43 1.081 . . . . 52.350000000000001 109.262 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 101.04 -39.38 2.76 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.547 1.154 . . . . 42.140000000000001 111.035 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' PHE . . . . . 0.459 ' O ' ' CE1' ' A' ' 106' ' ' TYR . 1.5 m-85 -59.54 134.6 57.17 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.421 0.718 . . . . 73.230000000000004 110.996 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.7 ' HB3' HG23 ' A' ' 31' ' ' VAL . 4.3 tp -81.13 167.32 19.81 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.452 1.095 . . . . 74.420000000000002 109.251 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 106' ' ' TYR . . . . . 0.54 ' CE2' ' HE2' ' A' ' 6' ' ' LYS . 91.7 m-85 -145.07 131.54 19.75 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.511 1.132 . . . . 64.400000000000006 111.007 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.734 HG23 ' N ' ' A' ' 108' ' ' THR . 1.5 m -138.24 -177.66 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.459 1.099 . . . . 71.319999999999993 109.319 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 108' ' ' THR . . . . . 0.734 ' N ' HG23 ' A' ' 107' ' ' VAL . 1.6 m -153.67 107.88 3.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 74.209999999999994 110.374 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 109' ' ' TYR . . . . . 0.811 ' CD1' HD11 ' A' ' 76' ' ' ILE . 9.7 p90 -95.2 122.08 37.51 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.518 1.136 . . . . 63.539999999999999 111.01 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 35.9 t -131.98 165.3 24.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.105 . . . . 73.5 109.961 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -81.18 2.17 82.38 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.488 1.117 . . . . 54.340000000000003 111.051 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -123.2 166.89 14.46 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.493 0.76 . . . . 65.25 110.29 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 63.2 t-20 -129.06 30.98 4.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.101 . . . . 71.129999999999995 109.304 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 114' ' ' THR . . . . . 0.706 HG22 ' H ' ' A' ' 115' ' ' PHE . 4.2 m -89.53 -169.51 2.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 73.219999999999999 110.309 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 115' ' ' PHE . . . . . 0.706 ' H ' HG22 ' A' ' 114' ' ' THR . 2.9 p90 -113.95 96.91 6.07 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.423 1.077 . . . . 74.329999999999998 111.02 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.965 0 O-C-N 124.463 1.102 . . . . 63.520000000000003 110.994 -179.986 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 597' ' ' GLY . . . . . 0.405 ' N ' ' HD3' ' B' ' 598' ' ' PRO . . . . . . . . 0 CA--C 1.529 0.95 0 N-CA-C 111.001 -0.84 . . . . 75.340000000000003 111.001 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 598' ' ' PRO . . . . . 0.405 ' HD3' ' N ' ' B' ' 597' ' ' GLY . 18.1 Cg_endo -75.01 140.85 25.91 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.432 1.754 . . . . 62.549999999999997 111.034 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 599' ' ' HIS . . . . . . . . . . . . . 84.0 m-70 -43.46 163.61 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 61.329999999999998 109.583 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 600' ' ' MET . . . . . . . . . . . . . 31.6 ttp -79.72 4.7 15.47 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.465 1.103 . . . . 71.310000000000002 110.95 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 601' ' ' ILE . . . . . . . . . . . . . 1.4 tt -48.56 -24.41 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 72.439999999999998 109.25 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 602' ' ' SER . . . . . . . . . . . . . 1.8 m -134.2 -70.35 0.51 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 55.439999999999998 109.985 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 603' ' ' GLY . . . . . . . . . . . . . . . 85.6 67.7 1.39 Allowed Glycine 0 CA--C 1.532 1.097 0 O-C-N 124.456 1.097 . . . . 71.310000000000002 110.979 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 604' ' ' LEU . . . . . . . . . . . . . 53.2 tp -120.09 146.33 46.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.631 0.842 . . . . 63.329999999999998 109.298 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 605' ' ' SER . . . . . . . . . . . . . 89.6 p -176.96 123.59 0.14 Allowed 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.443 1.09 . . . . 73.049999999999997 109.996 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 606' ' ' VAL . . . . . 0.569 HG22 ' H ' ' B' ' 607' ' ' ILE . 0.7 OUTLIER -109.82 -172.43 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 O-C-N 124.458 1.099 . . . . 74.109999999999999 109.217 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 607' ' ' ILE . . . . . 0.569 ' H ' HG22 ' B' ' 606' ' ' VAL . 4.3 mm -120.66 169.86 11.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 71.450000000000003 109.313 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 608' ' ' LYS . . . . . 0.513 ' N ' HG22 ' B' ' 607' ' ' ILE . 0.0 OUTLIER -139.76 131.89 28.05 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.496 1.123 . . . . 71.519999999999996 109.323 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 609' ' ' GLN . . . . . . . . . . . . . 73.1 mm-40 -143.41 -173.84 4.05 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.428 1.08 . . . . 75.510000000000005 110.298 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 610' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -42.71 165.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.111 . . . . 74.310000000000002 110.2 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 611' ' ' VAL . . . . . . . . . . . . . 6.7 m -144.54 118.56 3.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.553 1.158 . . . . 74.530000000000001 109.301 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 612' ' ' GLU . . . . . 0.419 ' HG3' ' CG ' ' B' ' 613' ' ' ARG . 7.3 pt-20 -107.74 -42.15 4.81 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.407 1.067 . . . . 72.219999999999999 110.301 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 613' ' ' ARG . . . . . 0.419 ' CG ' ' HG3' ' B' ' 612' ' ' GLU . 0.3 OUTLIER -142.21 -44.73 0.33 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.596 1.185 . . . . 71.310000000000002 110.23 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 614' ' ' LEU . . . . . 0.835 HD12 ' HG2' ' A' ' 8' ' ' GLU . 0.5 OUTLIER -120.52 134.67 55.25 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.566 1.166 . . . . 75.010000000000005 109.274 -179.969 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 615' ' ' GLY . . . . . 0.4 ' O ' ' C ' ' B' ' 616' ' ' ASN . . . -139.7 -62.81 0.04 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.514 1.134 . . . . 55.229999999999997 110.978 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 616' ' ' ASN . . . . . 0.4 ' C ' ' O ' ' B' ' 615' ' ' GLY . 5.9 m120 -40.17 -65.7 0.38 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.579 0.811 . . . . 73.319999999999993 109.325 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 617' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -114.39 150.41 34.68 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.599 1.187 . . . . 64.209999999999994 109.34 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 618' ' ' VAL . . . . . 0.767 HG21 ' CD ' ' A' ' 17' ' ' GLU . 70.0 t -45.96 -29.64 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.413 1.07 . . . . 73.239999999999995 109.286 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 619' ' ' PHE . . . . . 0.509 ' O ' ' CG ' ' B' ' 620' ' ' GLU . 7.0 m-85 -112.97 -67.72 0.98 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.548 1.155 . . . . 72.230000000000004 111.024 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 620' ' ' GLU . . . . . 0.509 ' CG ' ' O ' ' B' ' 619' ' ' PHE . 5.6 pt-20 48.78 33.89 4.76 Favored 'General case' 0 C--N 1.327 -0.406 0 O-C-N 124.463 1.102 . . . . 53.420000000000002 110.359 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 621' ' ' TRP . . . . . 0.632 ' CD1' ' O ' ' B' ' 622' ' ' GLU . 0.0 OUTLIER -145.01 160.48 41.3 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 107.93 -1.137 . . . . 73.319999999999993 107.93 -179.967 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 622' ' ' GLU . . . . . 0.632 ' O ' ' CD1' ' B' ' 621' ' ' TRP . 4.9 tp10 -41.11 163.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 64.150000000000006 110.367 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 623' ' ' ASP . . . . . 0.404 ' CG ' ' CD ' ' B' ' 628' ' ' GLU . 0.0 OUTLIER 55.82 49.65 15.69 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.55 1.156 . . . . 72.319999999999993 109.27 -179.958 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 624' ' ' ASP . . . . . 0.406 ' OD1' ' C ' ' B' ' 624' ' ' ASP . 2.3 t0 -53.54 -62.52 1.6 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.483 1.114 . . . . 63.210000000000001 109.336 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 625' ' ' GLU . . . . . 0.429 ' O ' ' C ' ' B' ' 626' ' ' SER . 2.3 pp20? -118.6 -7.76 10.53 Favored 'General case' 0 C--N 1.327 -0.408 0 O-C-N 124.522 1.139 . . . . 75.099999999999994 110.26 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 626' ' ' SER . . . . . 0.429 ' C ' ' O ' ' B' ' 625' ' ' GLU . 8.7 t -35.99 139.0 0.16 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.444 1.09 . . . . 72.439999999999998 109.954 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 627' ' ' ASP . . . . . . . . . . . . . 4.1 p30 -78.48 1.02 23.69 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.433 1.083 . . . . 61.450000000000003 109.204 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 628' ' ' GLU . . . . . 0.404 ' CD ' ' CG ' ' B' ' 623' ' ' ASP . 8.2 pt-20 -52.73 -19.66 2.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 70.040000000000006 110.314 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 629' ' ' ILE . . . . . 0.485 ' C ' HD12 ' B' ' 629' ' ' ILE . 0.7 OUTLIER -91.37 31.49 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.531 1.145 . . . . 61.409999999999997 109.32 179.933 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 630' ' ' ALA . . . . . 0.651 ' HA ' HG12 ' A' ' 51' ' ' VAL . . . . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 73.25 109.303 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 0' ' ' HIS . . . . . . . . . . . . . 70.7 m80 . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 109.544 -0.539 . . . . 72.510000000000005 109.544 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.1 ptp -122.99 166.96 14.23 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.528 1.143 . . . . 71.219999999999999 110.995 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.71 -52.37 1.69 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.377 1.048 . . . . 64.099999999999994 109.336 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.47 ' CB ' ' HD3' ' A' ' 47' ' ' ARG . 35.1 m -100.23 153.99 18.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.453 1.095 . . . . 61.210000000000001 109.955 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.491 ' OG1' ' CB ' ' A' ' 46' ' ' LYS . 22.5 p -134.66 -62.51 0.73 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.447 1.092 . . . . 74.439999999999998 110.319 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.598 ' CZ ' ' OH ' ' A' ' 9' ' ' TYR . 85.6 t80 -60.6 -32.54 71.66 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.097 . . . . 75.109999999999999 111.007 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.421 ' HE3' ' NH2' ' A' ' 47' ' ' ARG . 0.0 OUTLIER -100.55 3.86 43.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.456 1.098 . . . . 72.109999999999999 109.303 179.93 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 40.0 t -109.44 5.27 23.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 63.350000000000001 110.097 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.419 ' CG ' ' HA ' ' B' ' 611' ' ' VAL . 38.1 tt0 -93.35 -57.92 2.46 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.465 1.103 . . . . 75.049999999999997 110.281 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.598 ' OH ' ' CZ ' ' A' ' 5' ' ' PHE . 2.3 p90 -120.79 164.94 20.34 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 62.130000000000003 110.994 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.92 173.91 13.67 Favored 'Trans proline' 0 C--N 1.361 1.223 0 O-C-N 124.466 1.772 . . . . 44.439999999999998 111.078 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.547 ' CE1' ' HB3' ' A' ' 102' ' ' ASP . 4.8 t80 -59.34 -56.45 21.92 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.482 1.114 . . . . 73.120000000000005 110.981 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.402 ' N ' ' CD2' ' A' ' 11' ' ' PHE . 23.6 mt-10 -38.57 -30.14 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.64 1.213 . . . . 72.25 110.33 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.518 ' O ' ' HB3' ' A' ' 16' ' ' ALA . 2.1 tppt? -79.07 -51.6 9.35 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.581 1.175 . . . . 72.310000000000002 109.258 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.706 ' CD ' ' CD2' ' A' ' 104' ' ' PHE . 0.1 OUTLIER -56.44 -53.82 52.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 72.400000000000006 110.378 179.95 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 5.1 pttt -45.28 -42.59 9.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.138 . . . . 63.020000000000003 109.368 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.518 ' HB3' ' O ' ' A' ' 13' ' ' LYS . . . -54.96 -40.03 69.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.558 1.161 . . . . 52.130000000000003 109.314 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.714 ' HB2' HG21 ' B' ' 618' ' ' VAL . 24.9 tp10 -62.32 -43.93 97.68 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.437 1.086 . . . . 64.25 110.261 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.45 ' HB3' ' CD2' ' A' ' 104' ' ' PHE . 0.1 OUTLIER -68.97 -22.86 64.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 73.400000000000006 109.982 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 16.8 mm-40 -72.22 -23.75 61.29 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.352 1.033 . . . . 72.310000000000002 110.33 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.436 ' CG ' ' O ' ' A' ' 17' ' ' GLU . 3.3 ptp180 -101.74 -31.15 10.91 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.529 1.143 . . . . 74.030000000000001 110.235 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.418 ' N ' ' HG3' ' A' ' 20' ' ' ARG . 4.3 mt -65.94 -19.51 25.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 70.129999999999995 109.311 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -74.31 -20.02 60.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.437 1.085 . . . . 53.32 109.286 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -105.92 -11.04 16.34 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.443 1.089 . . . . 74.040000000000006 109.31 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 12.7 mmm180 -94.03 -55.24 3.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.107 . . . . 72.200000000000003 110.269 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.463 ' HB3' ' CG ' ' A' ' 28' ' ' ARG . 5.0 m-85 -132.76 86.01 45.27 Favored Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.562 1.164 . . . . 64.319999999999993 110.909 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -32.45 5.33 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.554 1.818 . . . . 74.200000000000003 111.037 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 22.7 m-20 -91.23 40.12 1.02 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.461 1.101 . . . . 72.439999999999998 109.309 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.463 ' CG ' ' HB3' ' A' ' 25' ' ' PHE . 8.4 mmt-85 -128.43 178.39 6.31 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.554 1.159 . . . . 75.129999999999995 110.275 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.57 HG23 ' CB ' ' A' ' 95' ' ' TYR . 23.6 mm -142.15 93.66 7.23 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.429 1.081 . . . . 73.209999999999994 109.279 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.597 ' HD2' ' CE2' ' A' ' 95' ' ' TYR . 18.1 Cg_endo -74.99 119.0 5.47 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.474 1.776 . . . . 64.019999999999996 111.02 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.511 HG13 HG22 ' A' ' 51' ' ' VAL . 1.0 OUTLIER -127.66 173.2 13.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.607 1.192 . . . . 75.340000000000003 109.301 -179.988 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.664 HG22 ' HB2' ' A' ' 47' ' ' ARG . 4.8 mm -137.05 99.11 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.485 1.116 . . . . 65.239999999999995 109.26 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.624 ' HA ' HG13 ' A' ' 107' ' ' VAL . 0.5 OUTLIER -84.86 123.87 30.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.138 . . . . 43.200000000000003 108.284 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.488 ' O ' ' CG2' ' A' ' 108' ' ' THR . 53.4 tt0 -135.02 152.43 51.71 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.484 1.115 . . . . 74.129999999999995 110.265 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.975 ' HZ3' ' CB ' ' A' ' 39' ' ' SER . 0.3 OUTLIER -87.44 123.82 32.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.452 1.095 . . . . 74.109999999999999 109.336 180.0 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.451 ' N ' ' HD2' ' A' ' 35' ' ' LYS . . . -57.02 -179.73 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 61.539999999999999 109.316 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.432 ' CG ' ' N ' ' A' ' 38' ' ' LYS . 12.9 pt-20 -96.96 -50.15 4.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 72.099999999999994 110.294 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.432 ' N ' ' CG ' ' A' ' 37' ' ' GLU . 38.0 mttp -57.65 -43.67 85.09 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.452 1.095 . . . . 70.129999999999995 109.319 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.975 ' CB ' ' HZ3' ' A' ' 35' ' ' LYS . 0.1 OUTLIER -40.72 158.32 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 61.219999999999999 109.976 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -122.48 21.01 10.31 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.489 1.118 . . . . 65.120000000000005 109.282 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.619 HD11 ' CE2' ' A' ' 109' ' ' TYR . 0.1 OUTLIER -89.48 166.07 22.83 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.466 1.104 . . . . 75.430000000000007 109.276 179.992 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.433 ' O ' HG21 ' A' ' 68' ' ' ILE . 18.4 Cg_endo -74.98 114.71 4.09 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.524 1.802 . . . . 64.400000000000006 110.99 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -48.97 156.49 0.5 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 74.430000000000007 110.322 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.518 ' CD1' ' OH ' ' A' ' 49' ' ' TYR . 5.7 tt -92.17 164.27 2.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.554 1.159 . . . . 73.530000000000001 109.322 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.437 ' N ' ' CG1' ' A' ' 44' ' ' ILE . 1.4 m-20 -55.78 -57.66 11.09 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.447 1.092 . . . . 74.129999999999995 109.307 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.491 ' CB ' ' OG1' ' A' ' 4' ' ' THR . 0.0 OUTLIER -148.79 166.71 27.65 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.425 1.078 . . . . 72.310000000000002 109.38 179.961 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.664 ' HB2' HG22 ' A' ' 32' ' ' ILE . 10.8 ptm180 -107.56 95.25 5.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.425 1.078 . . . . 73.310000000000002 110.292 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.52 ' HB2' ' CG ' ' A' ' 5' ' ' PHE . 12.5 tptp -166.34 105.7 0.65 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 65.409999999999997 109.229 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.612 ' CE2' ' CD1' ' A' ' 64' ' ' ILE . 23.8 m-85 -129.15 147.65 51.02 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.489 1.118 . . . . 72.340000000000003 110.997 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.421 HD13 ' HA ' ' A' ' 30' ' ' PRO . 3.1 tp -132.27 77.47 1.76 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.392 1.058 . . . . 74.329999999999998 109.304 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.759 HG11 ' CD1' ' A' ' 60' ' ' PHE . 19.0 m -80.62 149.83 68.74 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 63.399999999999999 109.295 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.479 ' HD3' ' CB ' ' B' ' 630' ' ' ALA . 18.2 Cg_endo -75.03 -178.36 4.12 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.518 1.799 . . . . 72.439999999999998 111.029 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -93.26 18.1 10.09 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.466 1.104 . . . . 72.450000000000003 109.277 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -118.58 -38.25 3.16 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.466 1.104 . . . . 72.409999999999997 109.29 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.439 ' HG ' ' CB ' ' A' ' 59' ' ' GLN . 0.7 OUTLIER -58.53 134.38 56.65 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.502 1.126 . . . . 73.349999999999994 109.201 -179.923 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 56' ' ' THR . . . . . 1.045 HG22 ' CD2' ' A' ' 90' ' ' LEU . 5.0 p -94.13 176.0 6.49 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 33.539999999999999 110.374 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.408 HG23 ' O ' ' A' ' 89' ' ' ALA . 2.9 t -63.7 -48.78 85.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 60.439999999999998 109.282 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -64.64 -10.64 45.25 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.534 1.146 . . . . 73.230000000000004 111.071 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.439 ' CB ' ' HG ' ' A' ' 55' ' ' LEU . 5.4 mt-30 -96.48 -25.5 15.64 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 0.752 . . . . 74.530000000000001 110.283 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.759 ' CD1' HG11 ' A' ' 51' ' ' VAL . 32.8 t80 -75.52 -47.62 26.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.579 1.174 . . . . 73.030000000000001 110.998 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.695 HG22 ' CG1' ' A' ' 78' ' ' ILE . 59.4 t -44.16 -39.29 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 O-C-N 124.378 1.049 . . . . 73.010000000000005 109.326 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.529 ' CG ' ' N ' ' A' ' 63' ' ' VAL . 0.2 OUTLIER -53.91 -62.72 1.47 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.151 . . . . 74.540000000000006 111.028 179.923 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.726 HG21 ' HA ' ' B' ' 630' ' ' ALA . 78.8 t -43.48 -36.17 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.107 . . . . 65.319999999999993 109.301 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.612 ' CD1' ' CE2' ' A' ' 49' ' ' TYR . 4.4 mm -68.84 -61.91 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 74.049999999999997 109.351 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.467 ' CD ' ' HB3' ' A' ' 70' ' ' LEU . 6.8 tpp85 -44.26 -28.1 0.49 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.528 1.142 . . . . 63.25 110.301 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.408 ' N ' ' HD2' ' A' ' 66' ' ' LYS . 2.2 mptp? -77.2 -43.62 33.01 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.502 1.126 . . . . 71.450000000000003 109.275 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.464 ' N ' ' O ' ' A' ' 64' ' ' ILE . 0.4 OUTLIER -59.43 -15.08 14.83 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.478 1.111 . . . . 74.150000000000006 110.294 -179.928 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.638 HD11 ' CD1' ' A' ' 76' ' ' ILE . 2.1 pt -130.57 7.5 2.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.515 1.134 . . . . 74.209999999999994 109.306 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.449 ' N ' ' O ' ' A' ' 65' ' ' ARG . 0.0 OUTLIER 35.5 34.34 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.581 1.176 . . . . 64.340000000000003 111.0 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.505 HD12 ' HA ' ' A' ' 70' ' ' LEU . 5.9 tp -49.32 140.01 13.42 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.442 1.088 . . . . 62.43 109.323 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' ' 70' ' ' LEU . 18.2 Cg_endo -75.04 165.72 30.66 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.579 1.831 . . . . 75.310000000000002 111.016 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 1.15 8.08 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.517 1.798 . . . . 73.310000000000002 111.001 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -99.0 6.76 46.54 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.517 1.136 . . . . 75.109999999999999 110.358 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.29 178.64 4.57 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.426 1.079 . . . . 74.239999999999995 109.297 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -138.58 149.14 44.98 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.503 1.127 . . . . 54.009999999999998 109.307 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.671 HD11 ' CD2' ' A' ' 109' ' ' TYR . 2.3 tt -142.7 122.51 9.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.558 1.161 . . . . 71.129999999999995 109.27 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.444 ' HB3' HD21 ' A' ' 84' ' ' LEU . 90.1 m-85 -121.19 137.48 54.65 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 70.230000000000004 110.99 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.695 ' CG1' HG22 ' A' ' 61' ' ' VAL . 4.1 mm -84.43 147.41 5.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.53 1.144 . . . . 70.040000000000006 109.342 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -136.49 124.45 22.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.106 . . . . 63.119999999999997 111.012 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.721 ' O ' HG22 ' A' ' 83' ' ' THR . 1.9 t -126.57 104.4 12.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 75.209999999999994 109.317 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' ASN . . . . . 0.49 ' O ' ' CB ' ' A' ' 82' ' ' ASP . 2.1 m120 69.77 23.34 5.72 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.501 1.125 . . . . 74.420000000000002 109.282 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' ASP . . . . . 0.49 ' CB ' ' O ' ' A' ' 81' ' ' ASN . 3.5 m-20 81.73 23.57 0.26 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 75.129999999999995 109.239 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.721 HG22 ' O ' ' A' ' 80' ' ' VAL . 1.2 t -121.22 152.08 39.25 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.525 1.141 . . . . 74.25 110.432 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.531 HD23 ' O ' ' A' ' 78' ' ' ILE . 2.1 mt -113.74 102.43 54.8 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.564 1.165 . . . . 64.219999999999999 109.307 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.08 155.09 42.55 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.475 1.776 . . . . 73.140000000000001 110.975 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' PRO . . . . . 0.732 ' HD2' ' HB2' ' A' ' 89' ' ' ALA . 18.2 Cg_endo -75.01 177.84 8.06 Favored 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.449 1.763 . . . . 70.439999999999998 110.97 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 15.8 p -78.43 -34.41 47.89 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.571 1.169 . . . . 62.409999999999997 110.347 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -79.58 4.31 16.27 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.448 1.093 . . . . 71.439999999999998 109.304 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 1.059 ' HB1' HD11 ' A' ' 94' ' ' ILE . . . -77.89 61.54 2.53 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.571 1.17 . . . . 73.430000000000007 109.264 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 1.045 ' CD2' HG22 ' A' ' 56' ' ' THR . 16.7 mt -29.35 125.65 0.12 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 71.209999999999994 109.27 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' MET . . . . . 0.476 ' HE2' HG21 ' A' ' 51' ' ' VAL . 47.2 mmm -52.09 -20.11 2.3 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 71.209999999999994 110.967 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 25.1 t -73.29 -35.13 66.08 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.576 1.172 . . . . 61.219999999999999 109.905 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -89.12 -9.32 51.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 70.439999999999998 109.289 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 1.059 HD11 ' HB1' ' A' ' 89' ' ' ALA . 27.3 mm -87.65 -47.45 15.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.553 1.158 . . . . 61.530000000000001 109.248 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 95' ' ' TYR . . . . . 0.841 ' CD2' HD23 ' A' ' 105' ' ' LEU . 6.1 t80 -69.03 -6.45 28.06 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.6 1.187 . . . . 52.140000000000001 111.085 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -99.03 -13.35 19.91 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.523 1.139 . . . . 73.329999999999998 110.357 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -113.76 -11.42 12.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 70.129999999999995 110.373 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' HIS . . . . . 0.487 ' CD2' ' OD1' ' A' ' 81' ' ' ASN . 33.1 m170 -124.82 16.48 8.66 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.589 1.181 . . . . 62.030000000000001 109.621 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.474 ' HB3' ' O ' ' A' ' 95' ' ' TYR . 0.1 OUTLIER -55.21 154.07 6.22 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.567 1.167 . . . . 60.420000000000002 109.374 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 100' ' ' ASP . . . . . 0.441 ' OD1' ' CE2' ' A' ' 106' ' ' TYR . 0.7 OUTLIER -121.81 177.16 5.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 64.510000000000005 109.252 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 17.4 mtpt -55.89 -51.42 67.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.563 1.164 . . . . 74.239999999999995 109.335 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' ASP . . . . . 0.547 ' HB3' ' CE1' ' A' ' 11' ' ' PHE . 8.7 p-10 -67.97 -15.38 63.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 52.350000000000001 109.327 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 103' ' ' GLY . . . . . 0.515 ' O ' ' CZ ' ' A' ' 95' ' ' TYR . . . 95.78 -39.34 2.86 Favored Glycine 0 CA--C 1.531 1.09 0 O-C-N 124.517 1.135 . . . . 42.140000000000001 110.995 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 104' ' ' PHE . . . . . 0.706 ' CD2' ' CD ' ' A' ' 14' ' ' ARG . 9.6 m-85 -51.14 155.85 1.22 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.522 0.777 . . . . 73.230000000000004 110.974 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.841 HD23 ' CD2' ' A' ' 95' ' ' TYR . 0.2 OUTLIER -99.83 139.91 34.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 74.420000000000002 109.335 179.938 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 106' ' ' TYR . . . . . 0.606 ' CZ ' ' NH2' ' A' ' 14' ' ' ARG . 60.7 m-85 -114.54 90.01 3.24 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.448 1.092 . . . . 64.400000000000006 110.987 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.624 HG13 ' HA ' ' A' ' 33' ' ' CYS . 9.9 p -101.13 165.61 2.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 71.319999999999993 109.214 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 108' ' ' THR . . . . . 0.488 ' CG2' ' O ' ' A' ' 34' ' ' GLU . 0.3 OUTLIER -153.36 128.97 10.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.139 . . . . 74.209999999999994 110.316 -179.981 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 109' ' ' TYR . . . . . 0.671 ' CD2' HD11 ' A' ' 76' ' ' ILE . 37.6 p90 -108.54 132.92 53.36 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.51 1.131 . . . . 63.539999999999999 110.968 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 1.4 t -130.05 164.16 24.95 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.519 1.137 . . . . 73.5 110.056 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 111' ' ' GLY . . . . . 0.461 ' HA3' ' CG2' ' A' ' 41' ' ' ILE . . . -85.03 3.31 87.45 Favored Glycine 0 CA--C 1.531 1.069 0 O-C-N 124.451 1.094 . . . . 54.340000000000003 111.008 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -122.89 152.84 40.39 Favored 'General case' 0 C--N 1.327 -0.403 0 O-C-N 124.492 0.76 . . . . 65.25 110.263 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 113' ' ' ASN . . . . . 0.505 ' ND2' HD13 ' A' ' 84' ' ' LEU . 9.4 t-20 -97.95 -4.18 36.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.441 1.088 . . . . 71.129999999999995 109.29 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 114' ' ' THR . . . . . 0.689 HG22 ' H ' ' A' ' 115' ' ' PHE . 4.8 m -105.31 -171.2 1.87 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.548 1.155 . . . . 73.219999999999999 110.41 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 115' ' ' PHE . . . . . 0.689 ' H ' HG22 ' A' ' 114' ' ' THR . 0.6 OUTLIER -139.57 97.21 3.22 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 74.329999999999998 111.032 179.962 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.982 0 O-C-N 124.502 1.126 . . . . 63.520000000000003 111.083 179.964 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 597' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.957 0 N-CA-C 110.966 -0.854 . . . . 75.340000000000003 110.966 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 598' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 136.63 20.61 Favored 'Trans proline' 0 C--N 1.361 1.229 0 O-C-N 124.481 1.779 . . . . 62.549999999999997 110.987 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 599' ' ' HIS . . . . . 0.455 ' NE2' ' CB ' ' B' ' 610' ' ' GLU . 39.5 p-80 -120.51 99.32 6.49 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.548 1.155 . . . . 61.329999999999998 109.581 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 600' ' ' MET . . . . . . . . . . . . . 2.3 ttt -73.32 130.46 40.23 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.539 1.149 . . . . 71.310000000000002 111.022 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 601' ' ' ILE . . . . . 0.921 HG21 ' O ' ' B' ' 608' ' ' LYS . 2.0 mp -81.29 119.95 31.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 O-C-N 124.509 1.13 . . . . 72.439999999999998 109.257 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 602' ' ' SER . . . . . . . . . . . . . 93.8 p -135.49 -178.66 5.22 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.515 1.134 . . . . 55.439999999999998 109.977 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 603' ' ' GLY . . . . . . . . . . . . . . . 107.28 145.25 12.02 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.497 1.123 . . . . 71.310000000000002 111.085 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 604' ' ' LEU . . . . . . . . . . . . . 2.7 tp -67.34 100.53 0.83 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 0.771 . . . . 63.329999999999998 109.31 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 605' ' ' SER . . . . . . . . . . . . . 2.9 p -176.24 154.39 1.36 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.612 1.195 . . . . 73.049999999999997 110.034 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 606' ' ' VAL . . . . . . . . . . . . . 7.4 p -41.16 158.28 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 74.109999999999999 109.318 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 607' ' ' ILE . . . . . . . . . . . . . 2.9 mt -60.6 135.94 24.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 O-C-N 124.463 1.102 . . . . 71.450000000000003 109.296 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 608' ' ' LYS . . . . . 0.921 ' O ' HG21 ' B' ' 601' ' ' ILE . 5.0 ptpp? -169.67 142.53 2.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 71.519999999999996 109.309 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 609' ' ' GLN . . . . . . . . . . . . . 28.4 mp0 -133.05 167.87 19.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.138 . . . . 75.510000000000005 110.259 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 610' ' ' GLU . . . . . 0.891 ' O ' HG13 ' B' ' 611' ' ' VAL . 39.8 mm-40 -88.76 -178.51 5.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 74.310000000000002 110.297 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 611' ' ' VAL . . . . . 0.891 HG13 ' O ' ' B' ' 610' ' ' GLU . 0.0 OUTLIER -171.75 134.09 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.43 1.081 . . . . 74.530000000000001 109.336 179.977 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 612' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -112.36 -39.04 4.51 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.496 1.122 . . . . 72.219999999999999 110.345 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 613' ' ' ARG . . . . . 0.64 ' NH2' ' CZ3' ' B' ' 621' ' ' TRP . 0.2 OUTLIER -147.81 -53.62 0.2 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.112 . . . . 71.310000000000002 110.303 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 614' ' ' LEU . . . . . 0.589 HD12 ' H ' ' B' ' 614' ' ' LEU . 0.2 OUTLIER -70.23 -164.45 0.08 Allowed 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.54 1.15 . . . . 75.010000000000005 109.31 179.945 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 615' ' ' GLY . . . . . 0.448 ' O ' ' N ' ' B' ' 618' ' ' VAL . . . 147.45 -104.1 0.28 Allowed Glycine 0 CA--C 1.529 0.924 0 O-C-N 124.53 1.144 . . . . 55.229999999999997 111.033 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 616' ' ' ASN . . . . . . . . . . . . . 58.9 t30 -43.88 133.38 4.92 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.431 0.724 . . . . 73.319999999999993 109.338 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 617' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 46.2 33.51 1.81 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.566 1.166 . . . . 64.209999999999994 109.263 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 618' ' ' VAL . . . . . 0.731 HG12 ' O ' ' B' ' 618' ' ' VAL . 66.5 t 39.66 47.41 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.53 1.144 . . . . 73.239999999999995 109.369 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 619' ' ' PHE . . . . . 0.566 ' CG ' ' O ' ' B' ' 618' ' ' VAL . 4.6 m-85 -171.74 144.52 1.83 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.506 1.129 . . . . 72.230000000000004 111.027 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 620' ' ' GLU . . . . . 0.444 ' OE2' ' N ' ' B' ' 621' ' ' TRP . 1.2 pp20? -134.98 -53.32 0.8 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.433 1.083 . . . . 53.420000000000002 110.337 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 621' ' ' TRP . . . . . 0.64 ' CZ3' ' NH2' ' B' ' 613' ' ' ARG . 3.1 p90 -75.55 170.5 16.02 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.48 1.112 . . . . 73.319999999999993 108.083 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 622' ' ' GLU . . . . . 0.625 ' O ' ' CD1' ' B' ' 621' ' ' TRP . 3.1 pt-20 -58.64 -173.79 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.132 . . . . 64.150000000000006 110.257 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 623' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 59.57 68.89 0.75 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 72.319999999999993 109.352 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 624' ' ' ASP . . . . . . . . . . . . . 20.3 t0 -76.57 -55.72 5.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.429 1.081 . . . . 63.210000000000001 109.291 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 625' ' ' GLU . . . . . 0.41 ' O ' ' C ' ' B' ' 626' ' ' SER . 0.4 OUTLIER -131.21 6.22 4.51 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.523 1.14 . . . . 75.099999999999994 110.279 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 626' ' ' SER . . . . . 0.41 ' C ' ' O ' ' B' ' 625' ' ' GLU . 10.1 t -38.24 153.48 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.445 1.091 . . . . 72.439999999999998 110.056 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 627' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -86.44 8.84 20.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.556 1.16 . . . . 61.450000000000003 109.238 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 628' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -61.42 -23.04 65.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.1 . . . . 70.040000000000006 110.274 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 629' ' ' ILE . . . . . 0.716 ' C ' HG11 ' A' ' 63' ' ' VAL . 0.8 OUTLIER -95.95 14.38 3.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 O-C-N 124.421 1.075 . . . . 61.409999999999997 109.301 179.957 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 630' ' ' ALA . . . . . 0.726 ' HA ' HG21 ' A' ' 63' ' ' VAL . . . . . . . . 0 C--N 1.323 -0.576 0 O-C-N 124.569 1.168 . . . . 73.25 109.348 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 0' ' ' HIS . . . . . . . . . . . . . 72.1 m-70 . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.591 -0.522 . . . . 72.510000000000005 109.591 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.5 ptp -136.08 -173.93 3.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 71.219999999999999 111.039 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.612 ' HZ1' ' N ' ' A' ' 37' ' ' GLU . 20.3 mtpt -135.14 -46.64 0.71 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.546 1.153 . . . . 64.099999999999994 109.303 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.485 ' CB ' ' CZ ' ' A' ' 47' ' ' ARG . 60.7 p -78.61 132.97 37.31 Favored 'General case' 0 C--N 1.327 -0.402 0 O-C-N 124.484 1.115 . . . . 61.210000000000001 110.009 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.474 ' OG1' ' N ' ' A' ' 5' ' ' PHE . 4.6 p -127.4 -58.35 1.26 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.634 1.209 . . . . 74.439999999999998 110.372 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.601 ' CZ ' ' OH ' ' A' ' 9' ' ' TYR . 40.1 t80 -56.23 -24.89 45.13 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.525 1.141 . . . . 75.109999999999999 111.016 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.551 ' CG ' ' NH2' ' A' ' 14' ' ' ARG . 0.2 OUTLIER -100.63 -24.42 14.44 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.472 1.108 . . . . 72.109999999999999 109.258 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 22.7 t -73.05 -3.23 24.97 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.525 1.141 . . . . 63.350000000000001 109.983 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.516 ' HB3' ' CD2' ' A' ' 9' ' ' TYR . 1.3 tp10 -86.49 -52.06 5.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 75.049999999999997 110.304 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.728 ' CZ ' HG12 ' B' ' 618' ' ' VAL . 2.8 p90 -124.88 166.68 18.93 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.546 1.154 . . . . 62.130000000000003 110.96 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -177.11 3.24 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.488 1.783 . . . . 44.439999999999998 110.983 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.528 ' CE2' ' HB3' ' A' ' 102' ' ' ASP . 20.2 t80 -62.42 -60.91 2.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 73.120000000000005 110.991 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -38.84 -31.4 0.06 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.565 1.166 . . . . 72.25 110.254 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.503 ' O ' ' HB3' ' A' ' 16' ' ' ALA . 15.9 mmtt -70.97 -54.6 10.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 72.310000000000002 109.319 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.577 ' HD2' ' CE1' ' A' ' 104' ' ' PHE . 4.0 tpp85 -55.42 -60.19 3.75 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.478 1.111 . . . . 72.400000000000006 110.247 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.41 ' CG ' ' N ' ' A' ' 16' ' ' ALA . 27.0 pttt -42.13 -46.52 4.36 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.431 1.082 . . . . 63.020000000000003 109.388 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.503 ' HB3' ' O ' ' A' ' 13' ' ' LYS . . . -50.94 -45.89 60.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.613 1.196 . . . . 52.130000000000003 109.343 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.589 ' HG2' HD12 ' A' ' 21' ' ' ILE . 62.9 tt0 -50.18 -33.74 20.25 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.47 1.106 . . . . 64.25 110.273 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -80.12 -23.93 40.86 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.507 1.129 . . . . 73.400000000000006 109.938 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.425 ' N ' ' O ' ' A' ' 16' ' ' ALA . 71.3 mt-10 -68.96 -28.28 66.49 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.522 1.139 . . . . 72.310000000000002 110.357 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.402 ' HG3' ' N ' ' A' ' 21' ' ' ILE . 5.2 ptp180 -100.73 -34.27 9.92 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.441 1.088 . . . . 74.030000000000001 110.249 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.589 HD12 ' HG2' ' A' ' 17' ' ' GLU . 8.1 mt -65.55 -20.88 28.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.487 1.117 . . . . 70.129999999999995 109.247 -179.921 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -83.12 -15.11 52.05 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.494 1.121 . . . . 53.32 109.273 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -105.87 -23.45 12.68 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.518 1.136 . . . . 74.040000000000006 109.29 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 11.2 mtm180 -91.85 -54.38 3.88 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.531 1.144 . . . . 72.200000000000003 110.273 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.427 ' HB3' ' CG ' ' A' ' 28' ' ' ARG . 3.1 m-85 -131.62 84.94 53.68 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 64.319999999999993 111.031 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.95 -27.8 9.81 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.496 1.788 . . . . 74.200000000000003 110.962 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 77.2 m-20 -92.06 37.42 0.98 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.451 1.094 . . . . 72.439999999999998 109.296 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.427 ' CG ' ' HB3' ' A' ' 25' ' ' PHE . 10.1 mmt-85 -119.14 174.09 6.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.107 . . . . 75.129999999999995 110.227 -179.894 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.713 HG23 ' CB ' ' A' ' 95' ' ' TYR . 13.0 mm -137.27 91.51 14.43 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.122 . . . . 73.209999999999994 109.252 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.708 ' HA ' HD22 ' A' ' 50' ' ' LEU . 18.1 Cg_endo -75.01 103.85 1.8 Allowed 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.556 1.819 . . . . 64.019999999999996 111.003 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.503 ' HA ' ' CB ' ' A' ' 105' ' ' LEU . 2.4 p -119.58 165.36 15.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.587 1.179 . . . . 75.340000000000003 109.265 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.56 ' CD1' ' NH2' ' A' ' 14' ' ' ARG . 5.8 mm -127.65 106.21 14.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.45 1.094 . . . . 65.239999999999995 109.389 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.573 ' HB3' ' CE1' ' A' ' 49' ' ' TYR . 1.4 t -81.52 124.98 29.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.103 . . . . 43.200000000000003 108.25 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.894 ' HB3' HG23 ' A' ' 108' ' ' THR . 73.3 tt0 -122.26 160.69 24.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.578 1.173 . . . . 74.129999999999995 110.242 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.566 ' HG2' ' CE2' ' A' ' 109' ' ' TYR . 0.3 OUTLIER -109.17 120.08 41.46 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.459 1.099 . . . . 74.109999999999999 109.331 -179.974 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.505 ' HB3' ' HB2' ' A' ' 39' ' ' SER . . . -49.87 169.07 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 61.539999999999999 109.268 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.612 ' N ' ' HZ1' ' A' ' 2' ' ' LYS . 17.7 pt-20 -94.47 -49.78 5.52 Favored 'General case' 0 C--N 1.326 -0.413 0 O-C-N 124.481 1.113 . . . . 72.099999999999994 110.244 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.438 ' N ' ' CG ' ' A' ' 37' ' ' GLU . 48.8 mttm -58.4 -22.39 53.82 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.527 1.142 . . . . 70.129999999999995 109.293 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.505 ' HB2' ' HB3' ' A' ' 36' ' ' ALA . 0.8 OUTLIER -57.21 162.73 2.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 61.219999999999999 110.015 -179.973 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 24.5 m-20 -123.55 1.11 8.88 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.129 . . . . 65.120000000000005 109.217 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.59 HD11 ' CE2' ' A' ' 109' ' ' TYR . 0.1 OUTLIER -74.65 166.41 45.44 Favored Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.407 1.067 . . . . 75.430000000000007 109.282 179.978 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.43 ' O ' HG21 ' A' ' 68' ' ' ILE . 18.0 Cg_endo -75.05 123.27 7.74 Favored 'Trans proline' 0 C--N 1.362 1.238 0 O-C-N 124.502 1.79 . . . . 64.400000000000006 111.0 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 17.9 tt0 -56.58 161.85 2.52 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.473 1.108 . . . . 74.430000000000007 110.319 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.505 ' CD1' ' OH ' ' A' ' 49' ' ' TYR . 15.4 tt -88.36 169.36 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.485 1.116 . . . . 73.530000000000001 109.256 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -71.42 -48.65 48.35 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.523 1.139 . . . . 74.129999999999995 109.355 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.479 ' CE ' ' HB3' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -150.9 167.76 26.56 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 72.310000000000002 109.285 -179.958 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.533 ' O ' HG23 ' A' ' 32' ' ' ILE . 11.9 mtm180 -108.39 94.63 5.17 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.461 1.101 . . . . 73.310000000000002 110.303 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.575 ' HB2' ' CD2' ' A' ' 5' ' ' PHE . 35.4 tptt -166.9 106.46 0.61 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.13 . . . . 65.409999999999997 109.285 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.688 ' CE2' ' CD1' ' A' ' 64' ' ' ILE . 23.0 m-85 -130.08 103.27 6.65 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.426 1.079 . . . . 72.340000000000003 110.973 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.708 HD22 ' HA ' ' A' ' 30' ' ' PRO . 0.6 OUTLIER -92.29 77.14 5.21 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.561 1.163 . . . . 74.329999999999998 109.279 -179.986 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.682 HG12 ' HB2' ' B' ' 630' ' ' ALA . 28.8 m -83.61 152.28 63.25 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.551 1.157 . . . . 63.399999999999999 109.328 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.476 ' HD3' ' CB ' ' B' ' 630' ' ' ALA . 18.2 Cg_endo -74.97 -179.34 4.88 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.553 1.817 . . . . 72.439999999999998 110.984 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -91.46 19.11 6.44 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.522 1.139 . . . . 72.450000000000003 109.251 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -117.54 -38.68 3.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.571 1.169 . . . . 72.409999999999997 109.305 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.587 HD12 ' N ' ' A' ' 56' ' ' THR . 0.0 OUTLIER -56.14 131.93 49.01 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.437 1.085 . . . . 73.349999999999994 109.32 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.587 ' N ' HD12 ' A' ' 55' ' ' LEU . 1.0 OUTLIER -94.11 -174.88 3.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.45 1.094 . . . . 33.539999999999999 110.359 -179.921 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 3.1 t -72.79 -62.8 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 60.439999999999998 109.355 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -55.0 -23.49 31.69 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.413 1.07 . . . . 73.230000000000004 111.041 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.503 ' CB ' ' CD1' ' A' ' 55' ' ' LEU . 9.6 mt-30 -89.12 -25.87 21.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 0.771 . . . . 74.530000000000001 110.27 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.595 ' CD1' HG11 ' A' ' 51' ' ' VAL . 40.7 t80 -70.83 -37.47 73.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 73.030000000000001 110.942 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.764 HG13 ' CG2' ' A' ' 76' ' ' ILE . 68.8 t -51.49 -46.01 35.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.124 . . . . 73.010000000000005 109.321 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.6 ' CD1' ' O ' ' A' ' 62' ' ' TYR . 0.1 OUTLIER -46.71 -27.13 1.08 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.134 . . . . 74.540000000000006 111.044 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.851 HG21 ' HA ' ' B' ' 630' ' ' ALA . 60.0 t -78.11 -38.12 23.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 65.319999999999993 109.274 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.688 ' CD1' ' CE2' ' A' ' 49' ' ' TYR . 3.9 mm -69.57 -38.91 77.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.45 1.094 . . . . 74.049999999999997 109.241 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.47 ' CD ' ' HB3' ' A' ' 70' ' ' LEU . 6.2 tpp85 -72.91 -3.47 25.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.567 1.167 . . . . 63.25 110.386 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 2.3 mttm -94.25 -42.16 9.08 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.115 . . . . 71.450000000000003 109.283 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.439 ' NE ' ' HA ' ' A' ' 67' ' ' ARG . 4.9 mmp_? -60.94 -38.59 86.38 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.418 1.074 . . . . 74.150000000000006 110.272 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.449 ' O ' ' N ' ' A' ' 70' ' ' LEU . 2.9 pt -104.23 4.06 10.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.387 1.054 . . . . 74.209999999999994 109.314 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 3.8 ptt? 37.32 31.4 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.439 1.087 . . . . 64.340000000000003 110.951 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.479 ' HA ' HD12 ' A' ' 70' ' ' LEU . 5.5 tp -49.27 140.3 12.89 Favored Pre-proline 0 C--N 1.323 -0.544 0 O-C-N 124.53 1.144 . . . . 62.43 109.209 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.431 ' HD3' ' HA ' ' A' ' 70' ' ' LEU . 18.2 Cg_endo -74.99 170.32 20.68 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.42 1.747 . . . . 75.310000000000002 110.952 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 -1.87 11.78 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.519 1.8 . . . . 73.310000000000002 110.968 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -89.27 3.31 52.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.589 1.181 . . . . 75.109999999999999 110.28 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 6.8 mttm -124.36 179.57 4.86 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.432 1.082 . . . . 74.239999999999995 109.306 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -137.9 163.67 30.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 54.009999999999998 109.288 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.787 HD11 ' CD2' ' A' ' 109' ' ' TYR . 2.2 tt -155.63 115.56 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.454 1.096 . . . . 71.129999999999995 109.308 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.553 ' CE1' ' HB2' ' A' ' 113' ' ' ASN . 71.1 m-85 -112.51 134.79 53.85 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.494 1.121 . . . . 70.230000000000004 111.028 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.73 ' O ' HD23 ' A' ' 84' ' ' LEU . 5.1 mm -84.6 129.22 38.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 70.040000000000006 109.288 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' PHE . . . . . 0.433 ' CE1' ' HG ' ' A' ' 84' ' ' LEU . 3.4 m-85 -123.66 119.13 28.94 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.501 1.126 . . . . 63.119999999999997 111.061 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.742 ' O ' HG22 ' A' ' 83' ' ' THR . 1.8 t -115.48 101.78 12.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.49 1.119 . . . . 75.209999999999994 109.306 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' ASN . . . . . 0.492 ' O ' ' CB ' ' A' ' 82' ' ' ASP . 2.3 m120 72.25 23.45 3.29 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.145 . . . . 74.420000000000002 109.299 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' ASP . . . . . 0.492 ' CB ' ' O ' ' A' ' 81' ' ' ASN . 0.3 OUTLIER 82.24 20.37 0.29 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.447 1.092 . . . . 75.129999999999995 109.275 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.742 HG22 ' O ' ' A' ' 80' ' ' VAL . 1.2 t -120.52 141.39 50.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 74.25 110.466 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.73 HD23 ' O ' ' A' ' 78' ' ' ILE . 3.6 mt -104.63 106.04 52.93 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.573 1.171 . . . . 64.219999999999999 109.314 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 165.94 30.31 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.479 1.779 . . . . 73.140000000000001 110.996 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' PRO . . . . . 0.636 ' HG2' ' HB2' ' A' ' 89' ' ' ALA . 18.1 Cg_endo -75.01 -170.8 0.83 Allowed 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.548 1.815 . . . . 70.439999999999998 110.963 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 4.4 p -93.33 -34.58 13.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.535 1.147 . . . . 62.409999999999997 110.378 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -83.27 6.77 18.51 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 71.439999999999998 109.283 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 1.039 ' HB1' HD11 ' A' ' 94' ' ' ILE . . . -76.33 60.03 1.49 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.465 1.103 . . . . 73.430000000000007 109.29 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.594 ' C ' ' O ' ' A' ' 89' ' ' ALA . 0.4 OUTLIER -23.99 123.12 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.455 1.097 . . . . 71.209999999999994 109.335 179.957 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 91' ' ' MET . . . . . 0.405 ' HG2' ' O ' ' A' ' 55' ' ' LEU . 47.2 mmm -48.57 -21.64 0.61 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.597 1.186 . . . . 71.209999999999994 111.018 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 92' ' ' SER . . . . . 0.481 ' HA ' HD12 ' A' ' 29' ' ' ILE . 43.1 t -68.22 -49.33 61.44 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.39 1.057 . . . . 61.219999999999999 110.019 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -69.13 -22.26 63.97 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.482 1.114 . . . . 70.439999999999998 109.365 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 1.039 HD11 ' HB1' ' A' ' 89' ' ' ALA . 10.8 mm -79.7 -41.12 21.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 O-C-N 124.475 1.109 . . . . 61.530000000000001 109.333 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 95' ' ' TYR . . . . . 0.723 ' CD1' HD23 ' A' ' 105' ' ' LEU . 1.2 t80 -75.72 -4.81 42.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.456 1.098 . . . . 52.140000000000001 111.007 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 96' ' ' GLN . . . . . 0.437 ' O ' ' CG ' ' A' ' 96' ' ' GLN . 0.6 OUTLIER -104.15 -9.84 18.39 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.417 1.073 . . . . 73.329999999999998 110.24 -179.978 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -121.11 -4.77 9.52 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.595 1.184 . . . . 70.129999999999995 110.237 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' HIS . . . . . 0.479 ' ND1' HG11 ' A' ' 80' ' ' VAL . 34.7 m170 -125.53 12.4 8.06 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.577 1.173 . . . . 62.030000000000001 109.667 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.523 ' HA ' HD22 ' A' ' 105' ' ' LEU . 0.0 OUTLIER -65.6 167.28 9.24 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.454 1.096 . . . . 60.420000000000002 109.317 -179.95 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -138.22 177.98 7.47 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 64.510000000000005 109.269 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.403 ' C ' ' N ' ' A' ' 103' ' ' GLY . 20.3 mmmt -51.39 -57.67 8.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.626 1.204 . . . . 74.239999999999995 109.312 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 102' ' ' ASP . . . . . 0.528 ' HB3' ' CE2' ' A' ' 11' ' ' PHE . 0.5 OUTLIER -44.77 -27.91 0.57 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 52.350000000000001 109.343 -179.993 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 103' ' ' GLY . . . . . 0.403 ' N ' ' C ' ' A' ' 101' ' ' LYS . . . 94.66 -9.4 71.18 Favored Glycine 0 CA--C 1.531 1.083 0 O-C-N 124.63 1.206 . . . . 42.140000000000001 110.975 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 104' ' ' PHE . . . . . 0.577 ' CE1' ' HD2' ' A' ' 14' ' ' ARG . 1.8 m-85 -90.78 165.66 13.53 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.481 0.753 . . . . 73.230000000000004 111.007 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.723 HD23 ' CD1' ' A' ' 95' ' ' TYR . 0.3 OUTLIER -100.2 160.91 13.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.584 1.178 . . . . 74.420000000000002 109.274 -179.983 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 62.1 m-85 -145.03 93.55 2.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.54 1.15 . . . . 64.400000000000006 110.944 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.604 ' CG2' ' CG2' ' A' ' 78' ' ' ILE . 8.5 p -102.71 173.55 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.561 1.163 . . . . 71.319999999999993 109.293 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 108' ' ' THR . . . . . 0.894 HG23 ' HB3' ' A' ' 34' ' ' GLU . 0.2 OUTLIER -147.74 151.17 35.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 74.209999999999994 110.336 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 109' ' ' TYR . . . . . 0.787 ' CD2' HD11 ' A' ' 76' ' ' ILE . 41.1 p90 -136.22 131.79 35.01 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.409 1.068 . . . . 63.539999999999999 110.985 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 41.3 t -132.99 152.44 51.95 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.495 1.122 . . . . 73.5 109.956 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -79.09 4.03 63.64 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.475 1.109 . . . . 54.340000000000003 110.95 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -126.06 124.52 40.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.574 0.808 . . . . 65.25 110.298 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 113' ' ' ASN . . . . . 0.553 ' HB2' ' CE1' ' A' ' 77' ' ' PHE . 60.8 t-20 -89.65 49.96 1.82 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.111 . . . . 71.129999999999995 109.337 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 114' ' ' THR . . . . . 0.66 HG22 ' H ' ' A' ' 115' ' ' PHE . 8.2 m -132.89 -178.09 4.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.145 . . . . 73.219999999999999 110.437 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 115' ' ' PHE . . . . . 0.66 ' H ' HG22 ' A' ' 114' ' ' THR . 3.2 p90 -118.94 99.2 6.59 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.587 1.179 . . . . 74.329999999999998 110.941 -179.907 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 116' ' ' GLY . . . . . 0.403 ' HA2' ' CD ' ' A' ' 38' ' ' LYS . . . . . . . . 0 CA--C 1.531 1.037 0 O-C-N 124.471 1.107 . . . . 63.520000000000003 111.02 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 597' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.018 0 N-CA-C 111.048 -0.821 . . . . 75.340000000000003 111.048 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 598' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.01 107.24 2.44 Favored 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.557 1.82 . . . . 62.549999999999997 111.017 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 599' ' ' HIS . . . . . . . . . . . . . 22.7 m-70 -149.31 148.92 30.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 61.329999999999998 109.587 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 600' ' ' MET . . . . . 0.638 ' O ' HD13 ' B' ' 601' ' ' ILE . 15.5 ttt -142.62 128.87 19.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 71.310000000000002 111.0 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 601' ' ' ILE . . . . . 0.638 HD13 ' O ' ' B' ' 600' ' ' MET . 7.2 mm -134.17 159.38 42.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 72.439999999999998 109.268 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 602' ' ' SER . . . . . 0.401 ' O ' ' C ' ' B' ' 603' ' ' GLY . 3.5 m -39.42 -76.06 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.4 1.062 . . . . 55.439999999999998 109.957 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 603' ' ' GLY . . . . . 0.439 ' O ' ' N ' ' B' ' 605' ' ' SER . . . 37.84 90.93 0.01 OUTLIER Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.542 1.151 . . . . 71.310000000000002 111.012 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 604' ' ' LEU . . . . . 0.752 ' O ' HD23 ' B' ' 604' ' ' LEU . 5.3 tt -40.48 98.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 0.779 . . . . 63.329999999999998 109.319 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 605' ' ' SER . . . . . 0.439 ' N ' ' O ' ' B' ' 603' ' ' GLY . 5.4 m -164.31 -175.51 3.97 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 73.049999999999997 109.963 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 606' ' ' VAL . . . . . 0.508 HG12 ' N ' ' B' ' 607' ' ' ILE . 61.5 t -53.6 165.86 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.456 1.097 . . . . 74.109999999999999 109.319 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 607' ' ' ILE . . . . . 0.526 HG22 ' N ' ' B' ' 608' ' ' LYS . 15.6 mm -56.32 167.08 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.573 1.171 . . . . 71.450000000000003 109.254 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 608' ' ' LYS . . . . . 0.53 ' HZ1' ' H ' ' B' ' 609' ' ' GLN . 0.0 OUTLIER -129.57 121.27 26.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 71.519999999999996 109.286 179.923 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 609' ' ' GLN . . . . . 0.53 ' H ' ' HZ1' ' B' ' 608' ' ' LYS . 3.7 mp0 -117.83 137.6 52.65 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 75.510000000000005 110.248 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 610' ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 -41.25 162.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 74.310000000000002 110.301 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 611' ' ' VAL . . . . . 0.743 HG23 ' O ' ' B' ' 614' ' ' LEU . 0.2 OUTLIER -159.12 145.16 7.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.515 1.135 . . . . 74.530000000000001 109.328 -179.96 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 612' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -104.9 -43.42 5.08 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.379 1.049 . . . . 72.219999999999999 110.248 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 613' ' ' ARG . . . . . 0.414 ' HG3' ' N ' ' B' ' 614' ' ' LEU . 8.3 ptp180 -146.76 -45.67 0.18 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.544 1.153 . . . . 71.310000000000002 110.233 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 614' ' ' LEU . . . . . 0.743 ' O ' HG23 ' B' ' 611' ' ' VAL . 2.3 pp -113.1 -170.85 1.76 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.502 1.126 . . . . 75.010000000000005 109.298 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 615' ' ' GLY . . . . . 0.462 ' O ' ' N ' ' B' ' 618' ' ' VAL . . . 140.59 -90.73 0.18 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.548 1.155 . . . . 55.229999999999997 110.947 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 616' ' ' ASN . . . . . 0.443 ' N ' ' OE1' ' B' ' 620' ' ' GLU . 9.8 t30 -41.75 144.14 0.44 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.394 0.702 . . . . 73.319999999999993 109.317 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 617' ' ' ASP . . . . . 0.45 ' C ' ' CG2' ' B' ' 618' ' ' VAL . 72.4 m-20 48.35 24.2 0.68 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 64.209999999999994 109.285 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 618' ' ' VAL . . . . . 0.728 HG12 ' CZ ' ' A' ' 9' ' ' TYR . 0.0 OUTLIER 40.81 29.08 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 73.239999999999995 109.286 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 619' ' ' PHE . . . . . 0.604 ' CE2' ' O ' ' B' ' 624' ' ' ASP . 2.9 m-85 -174.6 92.31 0.07 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.538 1.149 . . . . 72.230000000000004 111.004 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 620' ' ' GLU . . . . . 0.475 ' CG ' ' HA ' ' B' ' 614' ' ' LEU . 12.9 mt-10 -101.11 2.51 40.35 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.493 1.121 . . . . 53.420000000000002 110.324 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 621' ' ' TRP . . . . . 0.577 ' CD1' ' O ' ' B' ' 622' ' ' GLU . 8.3 p90 -118.13 -169.29 1.67 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.546 1.154 . . . . 73.319999999999993 107.947 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 622' ' ' GLU . . . . . 0.577 ' O ' ' CD1' ' B' ' 621' ' ' TRP . 4.5 pt-20 -78.49 -174.55 3.87 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.545 1.153 . . . . 64.150000000000006 110.288 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 623' ' ' ASP . . . . . 0.474 ' OD1' ' CB ' ' B' ' 626' ' ' SER . 18.6 m-20 45.11 77.05 0.08 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.569 1.168 . . . . 72.319999999999993 109.298 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 624' ' ' ASP . . . . . 0.604 ' O ' ' CE2' ' B' ' 619' ' ' PHE . 0.9 OUTLIER -77.56 -47.44 19.46 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.444 1.09 . . . . 63.210000000000001 109.369 179.957 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 625' ' ' GLU . . . . . 0.451 ' N ' ' CG ' ' B' ' 624' ' ' ASP . 0.2 OUTLIER -129.62 6.85 5.21 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.621 1.2 . . . . 75.099999999999994 110.265 179.95 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 626' ' ' SER . . . . . 0.474 ' CB ' ' OD1' ' B' ' 623' ' ' ASP . 2.5 t -39.11 152.85 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 72.439999999999998 110.011 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 627' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -76.01 -1.93 28.15 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.465 1.103 . . . . 61.450000000000003 109.267 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 628' ' ' GLU . . . . . 0.553 ' O ' HG13 ' A' ' 63' ' ' VAL . 14.4 pt-20 -52.38 -29.0 21.91 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.398 1.061 . . . . 70.040000000000006 110.285 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 629' ' ' ILE . . . . . 0.652 ' C ' HG11 ' A' ' 63' ' ' VAL . 0.9 OUTLIER -97.85 29.92 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.458 1.099 . . . . 61.409999999999997 109.299 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 630' ' ' ALA . . . . . 0.851 ' HA ' HG21 ' A' ' 63' ' ' VAL . . . . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 73.25 109.257 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 0' ' ' HIS . . . . . . . . . . . . . 36.2 m80 . . . . . 0 N--CA 1.454 -0.249 0 N-CA-C 109.631 -0.507 . . . . 72.510000000000005 109.631 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.3 mtm -92.7 -168.77 2.03 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.52 1.138 . . . . 71.219999999999999 110.977 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 55.3 mttt -137.65 -73.64 0.41 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.49 1.119 . . . . 64.099999999999994 109.334 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 27.7 m -52.99 172.21 0.05 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.549 1.155 . . . . 61.210000000000001 109.967 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.436 ' OG1' ' CB ' ' A' ' 46' ' ' LYS . 40.7 p -146.76 -76.58 0.19 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.432 1.083 . . . . 74.439999999999998 110.408 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.604 ' CZ ' ' OH ' ' A' ' 9' ' ' TYR . 32.1 t80 -57.49 -18.49 19.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.635 1.21 . . . . 75.109999999999999 111.024 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.448 ' HG3' ' CZ ' ' A' ' 14' ' ' ARG . 0.0 OUTLIER -101.11 -50.62 3.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.563 1.164 . . . . 72.109999999999999 109.342 179.923 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 7.0 t -65.09 -10.91 34.28 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.594 1.184 . . . . 63.350000000000001 109.943 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.475 ' OE2' HD12 ' B' ' 614' ' ' LEU . 3.5 tp10 -64.74 -62.39 1.6 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.644 1.215 . . . . 75.049999999999997 110.227 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.698 ' CZ ' HG13 ' B' ' 618' ' ' VAL . 1.8 p90 -117.52 167.45 11.02 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.116 . . . . 62.130000000000003 111.121 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.407 ' HD2' ' HB2' ' A' ' 9' ' ' TYR . 18.4 Cg_endo -75.0 -176.59 2.96 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.526 1.803 . . . . 44.439999999999998 111.014 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.464 ' O ' ' N ' ' A' ' 14' ' ' ARG . 15.7 t80 -62.76 -58.21 8.25 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.54 1.15 . . . . 73.120000000000005 110.967 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 -40.4 -30.47 0.11 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.476 1.11 . . . . 72.25 110.224 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.51 ' CB ' ' HB2' ' A' ' 9' ' ' TYR . 0.2 OUTLIER -73.04 -50.43 23.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 72.310000000000002 109.348 -179.982 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.65 ' NH2' ' CE1' ' A' ' 106' ' ' TYR . 3.2 mmm180 -56.51 -60.44 3.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.104 . . . . 72.400000000000006 110.277 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 26.7 pttt -42.82 -42.32 3.57 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.523 1.139 . . . . 63.020000000000003 109.276 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.444 ' HB3' ' O ' ' A' ' 13' ' ' LYS . . . -60.59 -46.63 89.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 52.130000000000003 109.259 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.539 ' OE2' ' CD1' ' B' ' 619' ' ' PHE . 27.7 tp10 -62.05 -37.48 85.13 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.613 1.195 . . . . 64.25 110.275 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.3 p -75.92 -27.95 57.82 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.481 1.113 . . . . 73.400000000000006 109.99 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -60.98 -26.82 67.84 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.44 1.087 . . . . 72.310000000000002 110.249 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.455 ' O ' ' N ' ' A' ' 24' ' ' ARG . 1.1 mtm180 -98.04 -44.42 6.65 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.538 1.149 . . . . 74.030000000000001 110.309 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.433 HD12 ' CZ ' ' A' ' 104' ' ' PHE . 7.3 mt -54.76 -26.7 17.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.519 1.137 . . . . 70.129999999999995 109.319 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -83.6 -23.73 31.79 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.566 1.167 . . . . 53.32 109.348 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -97.23 -6.29 34.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.147 . . . . 74.040000000000006 109.323 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.455 ' N ' ' O ' ' A' ' 20' ' ' ARG . 38.3 mtm180 -107.83 -51.56 2.89 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.598 1.186 . . . . 72.200000000000003 110.271 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.488 ' CD2' HD21 ' A' ' 50' ' ' LEU . 1.1 m-85 -120.71 80.77 32.39 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.552 1.157 . . . . 64.319999999999993 110.989 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 -25.85 11.45 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.508 1.794 . . . . 74.200000000000003 110.945 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 21.9 m-20 -93.23 27.99 2.34 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.536 1.147 . . . . 72.439999999999998 109.366 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.467 ' CG ' ' HB3' ' A' ' 25' ' ' PHE . 1.0 OUTLIER -123.9 -179.97 4.6 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.481 1.113 . . . . 75.129999999999995 110.295 179.97 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.481 HG23 ' CB ' ' A' ' 95' ' ' TYR . 24.8 mm -142.09 99.47 6.02 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.471 1.107 . . . . 73.209999999999994 109.255 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.569 ' HD2' ' CE2' ' A' ' 95' ' ' TYR . 18.3 Cg_endo -74.97 123.91 8.25 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.541 1.811 . . . . 64.019999999999996 111.029 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.52 ' O ' HD13 ' A' ' 32' ' ' ILE . 1.0 OUTLIER -138.85 173.24 12.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.594 1.184 . . . . 75.340000000000003 109.286 179.974 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.729 HG22 ' HB3' ' A' ' 47' ' ' ARG . 4.6 mm -138.46 109.92 5.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.595 1.185 . . . . 65.239999999999995 109.336 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.543 ' HA ' HG13 ' A' ' 107' ' ' VAL . 0.5 OUTLIER -83.7 148.55 27.02 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.139 . . . . 43.200000000000003 108.322 -179.955 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.931 ' HB3' HG23 ' A' ' 108' ' ' THR . 5.1 tm-20 -146.3 171.47 14.93 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.506 1.129 . . . . 74.129999999999995 110.287 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.718 ' HZ2' ' HA ' ' A' ' 43' ' ' GLU . 0.0 OUTLIER -116.75 125.84 52.25 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.52 1.137 . . . . 74.109999999999999 109.39 -179.976 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.538 ' HB3' ' HB2' ' A' ' 110' ' ' SER . . . -57.77 177.77 0.1 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.537 1.148 . . . . 61.539999999999999 109.242 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.445 ' CG ' ' N ' ' A' ' 38' ' ' LYS . 11.6 pt-20 -96.11 -51.23 4.51 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.484 1.115 . . . . 72.099999999999994 110.257 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.445 ' N ' ' CG ' ' A' ' 37' ' ' GLU . 0.3 OUTLIER -54.09 -45.04 71.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.445 1.091 . . . . 70.129999999999995 109.375 179.971 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 3.9 t -41.24 157.05 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 61.219999999999999 109.988 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -117.22 -4.93 11.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.128 . . . . 65.120000000000005 109.304 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.465 ' CG2' ' HA3' ' A' ' 111' ' ' GLY . 0.2 OUTLIER -62.97 163.16 17.48 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.596 1.185 . . . . 75.430000000000007 109.279 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 129.12 12.04 Favored 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.562 1.822 . . . . 64.400000000000006 110.94 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.718 ' HA ' ' HZ2' ' A' ' 35' ' ' LYS . 6.0 tt0 -53.85 163.0 0.79 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.508 1.13 . . . . 74.430000000000007 110.283 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.491 ' CD1' ' OH ' ' A' ' 49' ' ' TYR . 12.3 tt -93.22 167.31 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 73.530000000000001 109.27 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.443 ' N ' ' CG1' ' A' ' 44' ' ' ILE . 6.7 p-10 -60.75 -55.82 28.62 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.553 1.158 . . . . 74.129999999999995 109.217 -179.883 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.436 ' CB ' ' OG1' ' A' ' 4' ' ' THR . 0.1 OUTLIER -155.44 179.61 9.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 72.310000000000002 109.275 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.729 ' HB3' HG22 ' A' ' 32' ' ' ILE . 6.2 mtp180 -108.13 94.65 5.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.455 1.097 . . . . 73.310000000000002 110.339 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.897 ' HZ2' ' C ' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -166.11 110.04 0.8 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.563 1.164 . . . . 65.409999999999997 109.261 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.549 ' CE2' ' CD1' ' A' ' 64' ' ' ILE . 27.3 m-85 -140.35 118.24 11.79 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.427 1.079 . . . . 72.340000000000003 111.05 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.488 HD21 ' CD2' ' A' ' 25' ' ' PHE . 1.0 OUTLIER -104.41 77.14 1.36 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.424 1.078 . . . . 74.329999999999998 109.34 179.972 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.546 HG12 ' HA ' ' B' ' 630' ' ' ALA . 27.8 m -77.7 148.76 76.81 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.147 . . . . 63.399999999999999 109.356 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -178.32 4.07 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.397 1.735 . . . . 72.439999999999998 111.06 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -93.36 18.2 10.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 72.450000000000003 109.194 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -118.96 -38.48 3.06 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.567 1.167 . . . . 72.409999999999997 109.302 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 1.002 HD23 ' HB1' ' B' ' 630' ' ' ALA . 0.0 OUTLIER -58.16 131.96 52.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 73.349999999999994 109.338 179.958 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.536 ' N ' HD12 ' A' ' 55' ' ' LEU . 1.2 p -92.95 -170.35 2.41 Favored 'General case' 0 C--N 1.323 -0.576 0 O-C-N 124.545 1.153 . . . . 33.539999999999999 110.45 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 2.7 t -76.84 -62.49 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.134 . . . . 60.439999999999998 109.268 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -57.19 -24.12 49.99 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.471 1.107 . . . . 73.230000000000004 110.925 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.533 ' CB ' ' CD1' ' A' ' 55' ' ' LEU . 29.1 mt-30 -83.58 -27.39 29.27 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.546 0.792 . . . . 74.530000000000001 110.266 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.896 ' CE1' HD11 ' A' ' 64' ' ' ILE . 1.4 t80 -69.81 -46.32 65.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.454 1.096 . . . . 73.030000000000001 110.997 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.809 HG13 ' CG2' ' A' ' 76' ' ' ILE . 52.1 t -39.96 -48.41 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.529 1.143 . . . . 73.010000000000005 109.377 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.596 ' C ' ' CD1' ' A' ' 62' ' ' TYR . 0.0 OUTLIER -44.13 -45.41 8.2 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.449 1.093 . . . . 74.540000000000006 110.967 179.948 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.883 HG21 ' C ' ' B' ' 630' ' ' ALA . 86.4 t -63.65 -37.82 80.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.41 1.069 . . . . 65.319999999999993 109.266 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.896 HD11 ' CE1' ' A' ' 60' ' ' PHE . 19.0 mm -70.59 -30.42 42.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 74.049999999999997 109.359 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.446 HH21 ' CG1' ' A' ' 61' ' ' VAL . 4.1 tpp85 -79.33 -3.17 44.92 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 63.25 110.257 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 7.9 mtmt -96.16 -41.73 8.56 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 71.450000000000003 109.313 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -59.61 -39.61 84.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.591 1.182 . . . . 74.150000000000006 110.252 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 2.2 pt -104.81 5.22 10.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 74.209999999999994 109.296 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 2.6 ptt? 37.55 38.36 0.14 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.547 1.154 . . . . 64.340000000000003 110.969 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.481 HD12 ' HA ' ' A' ' 70' ' ' LEU . 6.2 tp -50.63 139.98 19.95 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.472 1.107 . . . . 62.43 109.294 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 70' ' ' LEU . 18.2 Cg_endo -75.02 165.99 30.13 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.548 1.815 . . . . 75.310000000000002 110.922 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 0.78 8.51 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.491 1.785 . . . . 73.310000000000002 110.944 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -98.1 -1.78 41.57 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.581 1.176 . . . . 75.109999999999999 110.264 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -112.23 178.91 4.15 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 74.239999999999995 109.26 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -138.03 152.51 48.92 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.612 1.195 . . . . 54.009999999999998 109.276 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.901 HD11 ' CD1' ' A' ' 109' ' ' TYR . 1.2 tt -145.78 117.18 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.437 1.086 . . . . 71.129999999999995 109.407 179.899 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 80.2 m-85 -114.21 137.68 51.46 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.55 1.156 . . . . 70.230000000000004 111.03 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.591 ' CG2' ' CG2' ' A' ' 107' ' ' VAL . 3.9 mm -85.92 158.19 3.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 O-C-N 124.482 1.113 . . . . 70.040000000000006 109.286 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' PHE . . . . . 0.471 ' CE1' ' CD1' ' A' ' 115' ' ' PHE . 8.6 m-85 -150.58 133.51 15.99 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.453 1.095 . . . . 63.119999999999997 111.0 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.708 ' O ' HG22 ' A' ' 83' ' ' THR . 2.4 t -136.31 108.64 7.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.459 1.099 . . . . 75.209999999999994 109.298 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' ASN . . . . . 0.443 ' O ' ' CB ' ' A' ' 82' ' ' ASP . 3.7 m120 72.35 22.31 3.52 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.499 1.124 . . . . 74.420000000000002 109.248 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' ASP . . . . . 0.443 ' CB ' ' O ' ' A' ' 81' ' ' ASN . 2.1 m-20 79.05 20.88 0.7 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 75.129999999999995 109.266 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.708 HG22 ' O ' ' A' ' 80' ' ' VAL . 1.1 t -126.43 142.03 51.68 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.5 1.125 . . . . 74.25 110.447 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.441 ' CD1' ' CZ ' ' A' ' 79' ' ' PHE . 0.2 OUTLIER -98.6 109.64 53.81 Favored Pre-proline 0 C--N 1.324 -0.541 0 O-C-N 124.541 1.151 . . . . 64.219999999999999 109.286 -179.94 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.06 167.04 27.86 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.445 1.761 . . . . 73.140000000000001 110.987 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' PRO . . . . . 0.825 ' HG2' ' HB2' ' A' ' 89' ' ' ALA . 18.6 Cg_endo -74.94 -171.7 1.05 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.481 1.78 . . . . 70.439999999999998 111.039 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 4.2 p -94.27 -35.39 12.46 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.551 1.157 . . . . 62.409999999999997 110.419 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -84.61 8.22 17.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.421 1.076 . . . . 71.439999999999998 109.324 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 1.054 ' HB1' HD11 ' A' ' 94' ' ' ILE . . . -76.13 60.92 1.51 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.545 1.153 . . . . 73.430000000000007 109.329 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.608 ' C ' ' O ' ' A' ' 89' ' ' ALA . 0.4 OUTLIER -23.51 121.79 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.106 . . . . 71.209999999999994 109.228 -179.917 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 91' ' ' MET . . . . . 0.402 ' HG2' ' O ' ' A' ' 55' ' ' LEU . 47.3 mmm -50.81 -20.49 1.3 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.418 1.074 . . . . 71.209999999999994 110.987 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 2.1 t -70.09 -47.17 62.97 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 61.219999999999999 110.008 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -74.88 -13.68 60.58 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 70.439999999999998 109.289 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 1.054 HD11 ' HB1' ' A' ' 89' ' ' ALA . 22.0 mm -82.55 -44.74 19.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.554 1.159 . . . . 61.530000000000001 109.208 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 95' ' ' TYR . . . . . 0.83 ' CD2' HD23 ' A' ' 105' ' ' LEU . 4.5 t80 -72.98 -5.64 40.06 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.457 1.098 . . . . 52.140000000000001 110.931 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 96' ' ' GLN . . . . . 0.438 ' O ' ' CG ' ' A' ' 96' ' ' GLN . 3.0 tp-100 -100.21 -10.37 21.46 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.481 1.113 . . . . 73.329999999999998 110.27 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -118.55 -10.92 9.99 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.454 1.097 . . . . 70.129999999999995 110.331 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' HIS . . . . . 0.571 ' HB2' HD11 ' A' ' 105' ' ' LEU . 32.7 m170 -123.1 16.34 9.94 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.485 1.116 . . . . 62.030000000000001 109.601 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.471 ' HB3' ' O ' ' A' ' 95' ' ' TYR . 0.0 OUTLIER -59.99 157.74 12.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.12 . . . . 60.420000000000002 109.346 179.974 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -128.87 170.88 12.85 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.55 1.156 . . . . 64.510000000000005 109.339 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.425 ' HB2' ' CE2' ' A' ' 11' ' ' PHE . 30.0 mtmm -57.31 -29.42 63.91 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.118 . . . . 74.239999999999995 109.311 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -82.71 -20.47 36.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 52.350000000000001 109.242 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 103' ' ' GLY . . . . . 0.404 ' O ' ' CE2' ' A' ' 95' ' ' TYR . . . 91.63 -39.32 3.06 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.568 1.167 . . . . 42.140000000000001 111.023 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 104' ' ' PHE . . . . . 0.601 ' CD1' HD11 ' A' ' 32' ' ' ILE . 10.5 m-85 -61.64 120.14 10.03 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.472 0.748 . . . . 73.230000000000004 110.992 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.83 HD23 ' CD2' ' A' ' 95' ' ' TYR . 0.3 OUTLIER -63.32 159.66 17.56 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.532 1.145 . . . . 74.420000000000002 109.339 -179.963 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 106' ' ' TYR . . . . . 0.65 ' CE1' ' NH2' ' A' ' 14' ' ' ARG . 50.4 m-85 -133.17 101.66 5.28 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.506 1.129 . . . . 64.400000000000006 111.049 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.591 ' CG2' ' CG2' ' A' ' 78' ' ' ILE . 14.7 p -115.07 168.53 6.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.461 1.1 . . . . 71.319999999999993 109.364 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 108' ' ' THR . . . . . 0.931 HG23 ' HB3' ' A' ' 34' ' ' GLU . 0.7 OUTLIER -149.8 145.79 26.8 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.511 1.132 . . . . 74.209999999999994 110.409 179.922 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 109' ' ' TYR . . . . . 0.901 ' CD1' HD11 ' A' ' 76' ' ' ILE . 30.2 p90 -129.3 126.05 38.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.567 1.167 . . . . 63.539999999999999 111.006 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 110' ' ' SER . . . . . 0.538 ' HB2' ' HB3' ' A' ' 36' ' ' ALA . 1.4 t -119.33 158.83 25.32 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.484 1.115 . . . . 73.5 109.989 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 111' ' ' GLY . . . . . 0.465 ' HA3' ' CG2' ' A' ' 41' ' ' ILE . . . -68.1 -24.19 74.61 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.515 1.134 . . . . 54.340000000000003 110.94 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -115.07 178.8 4.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 0.783 . . . . 65.25 110.275 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 49.0 t-20 -104.72 41.6 1.31 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.103 . . . . 71.129999999999995 109.297 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -118.19 158.72 24.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 73.219999999999999 110.336 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 115' ' ' PHE . . . . . 0.63 ' N ' ' CD1' ' A' ' 115' ' ' PHE . 0.1 OUTLIER -139.24 68.36 1.38 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 74.329999999999998 110.969 179.945 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.043 0 O-C-N 124.468 1.105 . . . . 63.520000000000003 111.036 179.927 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 597' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.913 0 N-CA-C 111.009 -0.836 . . . . 75.340000000000003 111.009 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 598' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.92 144.99 31.23 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.497 1.788 . . . . 62.549999999999997 111.006 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 599' ' ' HIS . . . . . 0.456 ' ND1' HG23 ' B' ' 611' ' ' VAL . 5.5 m80 -153.45 172.85 16.47 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.596 1.185 . . . . 61.329999999999998 109.561 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 600' ' ' MET . . . . . 0.435 ' N ' ' SD ' ' B' ' 600' ' ' MET . 1.0 OUTLIER -105.95 158.69 16.6 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.545 1.153 . . . . 71.310000000000002 110.97 179.959 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 601' ' ' ILE . . . . . 0.703 ' H ' HD12 ' B' ' 601' ' ' ILE . 0.3 OUTLIER -109.19 76.9 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 72.439999999999998 109.276 179.971 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 602' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -97.14 124.39 41.16 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.555 1.159 . . . . 55.439999999999998 109.986 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 603' ' ' GLY . . . . . . . . . . . . . . . 77.83 139.77 1.36 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.48 1.113 . . . . 71.310000000000002 111.053 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 604' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -113.27 -36.66 4.95 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.506 0.768 . . . . 63.329999999999998 109.3 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 605' ' ' SER . . . . . . . . . . . . . 3.6 t -87.99 -2.98 58.94 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.486 1.116 . . . . 73.049999999999997 109.941 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 606' ' ' VAL . . . . . 0.723 HG22 ' H ' ' B' ' 607' ' ' ILE . 2.1 p -95.57 -171.97 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.103 . . . . 74.109999999999999 109.263 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 607' ' ' ILE . . . . . 0.723 ' H ' HG22 ' B' ' 606' ' ' VAL . 1.1 mm -114.67 -162.75 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.485 1.116 . . . . 71.450000000000003 109.335 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 608' ' ' LYS . . . . . 0.679 ' H ' HG22 ' B' ' 607' ' ' ILE . 0.2 OUTLIER 59.75 26.74 15.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 71.519999999999996 109.306 179.966 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 609' ' ' GLN . . . . . . . . . . . . . 23.2 mm100 -40.11 160.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.097 . . . . 75.510000000000005 110.214 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 610' ' ' GLU . . . . . 0.534 ' O ' HG13 ' B' ' 611' ' ' VAL . 3.8 pt-20 -49.73 179.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 74.310000000000002 110.288 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 611' ' ' VAL . . . . . 0.534 HG13 ' O ' ' B' ' 610' ' ' GLU . 1.0 OUTLIER -155.44 120.58 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 74.530000000000001 109.323 -179.973 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 612' ' ' GLU . . . . . 0.405 ' HG2' ' N ' ' B' ' 613' ' ' ARG . 0.0 OUTLIER -117.37 -36.07 3.84 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.568 1.168 . . . . 72.219999999999999 110.331 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 613' ' ' ARG . . . . . 0.589 ' CD ' ' CZ3' ' B' ' 621' ' ' TRP . 5.9 ptp180 -148.4 -46.04 0.15 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 71.310000000000002 110.284 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 614' ' ' LEU . . . . . 0.685 HD23 ' CZ3' ' B' ' 621' ' ' TRP . 0.8 OUTLIER -106.22 143.68 34.0 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.494 1.121 . . . . 75.010000000000005 109.304 -179.952 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 615' ' ' GLY . . . . . 0.414 ' O ' ' C ' ' B' ' 616' ' ' ASN . . . -147.46 -60.92 0.01 OUTLIER Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.556 1.16 . . . . 55.229999999999997 110.953 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 616' ' ' ASN . . . . . 0.414 ' C ' ' O ' ' B' ' 615' ' ' GLY . 0.1 OUTLIER -38.58 -33.72 0.11 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 0.757 . . . . 73.319999999999993 109.271 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 617' ' ' ASP . . . . . 0.406 ' N ' ' C ' ' B' ' 615' ' ' GLY . 4.6 m-20 -165.89 -172.76 2.44 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.542 1.151 . . . . 64.209999999999994 109.313 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 618' ' ' VAL . . . . . 0.698 HG13 ' CZ ' ' A' ' 9' ' ' TYR . 1.8 t -74.9 -19.39 16.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.452 1.095 . . . . 73.239999999999995 109.36 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 619' ' ' PHE . . . . . 0.539 ' CD1' ' OE2' ' A' ' 17' ' ' GLU . 2.8 m-85 -134.38 134.05 41.27 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 72.230000000000004 111.044 179.881 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 620' ' ' GLU . . . . . 0.421 ' OE2' ' N ' ' B' ' 621' ' ' TRP . 0.5 OUTLIER -151.87 -58.25 0.15 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.434 1.084 . . . . 53.420000000000002 110.329 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 621' ' ' TRP . . . . . 0.685 ' CZ3' HD23 ' B' ' 614' ' ' LEU . 0.8 OUTLIER -64.52 162.26 15.74 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 107.96 -1.126 . . . . 73.319999999999993 107.96 179.989 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 622' ' ' GLU . . . . . 0.68 ' O ' ' CD1' ' B' ' 621' ' ' TRP . 2.0 pt-20 -52.46 -171.63 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.134 . . . . 64.150000000000006 110.248 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 623' ' ' ASP . . . . . 0.494 ' OD2' ' CG1' ' B' ' 629' ' ' ILE . 4.7 t0 78.18 1.71 2.75 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.456 1.097 . . . . 72.319999999999993 109.294 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 624' ' ' ASP . . . . . 0.402 ' C ' ' O ' ' B' ' 623' ' ' ASP . 7.7 t0 -40.38 -65.97 0.36 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.455 1.097 . . . . 63.210000000000001 109.258 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 625' ' ' GLU . . . . . 0.413 ' O ' ' C ' ' B' ' 626' ' ' SER . 1.5 pp20? -117.88 -9.72 10.58 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.5 1.125 . . . . 75.099999999999994 110.3 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 626' ' ' SER . . . . . 0.423 ' O ' HD11 ' B' ' 629' ' ' ILE . 5.0 t -37.96 134.01 0.81 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.403 1.064 . . . . 72.439999999999998 109.97 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 627' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -80.72 0.66 33.55 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.451 1.095 . . . . 61.450000000000003 109.31 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 628' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -65.36 -11.58 43.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.142 . . . . 70.040000000000006 110.31 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 629' ' ' ILE . . . . . 0.494 ' CG1' ' OD2' ' B' ' 623' ' ' ASP . 1.2 pp -104.0 25.92 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 61.409999999999997 109.269 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 630' ' ' ALA . . . . . 1.002 ' HB1' HD23 ' A' ' 55' ' ' LEU . . . . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 73.25 109.294 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 0' ' ' HIS . . . . . . . . . . . . . 75.9 m80 . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 109.625 -0.509 . . . . 72.510000000000005 109.625 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.493 ' HE2' ' CD2' ' B' ' 599' ' ' HIS . 8.3 mtp -122.27 -161.0 0.91 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 71.219999999999999 111.035 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.428 ' O ' HG23 ' A' ' 4' ' ' THR . 5.3 mtmp? -138.71 -47.32 0.5 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 64.099999999999994 109.311 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.43 ' HB3' ' NH1' ' A' ' 47' ' ' ARG . 12.3 p -60.96 121.77 13.24 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.509 1.13 . . . . 61.210000000000001 109.945 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.5 ' OG1' ' N ' ' A' ' 5' ' ' PHE . 31.4 p -109.21 -71.14 0.77 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.552 1.157 . . . . 74.439999999999998 110.384 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.654 ' CE2' ' CB ' ' A' ' 48' ' ' LYS . 12.4 m-85 -50.94 -45.81 60.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 75.109999999999999 111.034 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.512 ' HZ2' HG23 ' B' ' 601' ' ' ILE . 8.6 tttt -69.17 -31.57 70.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.109 . . . . 72.109999999999999 109.248 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 40.4 t -81.82 -4.96 57.73 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.534 1.146 . . . . 63.350000000000001 110.031 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.419 ' O ' ' CB ' ' B' ' 609' ' ' GLN . 2.5 mm-40 -86.9 -52.59 5.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 75.049999999999997 110.329 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.589 ' OH ' HG12 ' B' ' 618' ' ' VAL . 4.5 p90 -126.2 165.12 29.57 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 62.130000000000003 111.015 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 -176.92 3.12 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.531 1.806 . . . . 44.439999999999998 111.027 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.54 ' CE1' ' HB3' ' A' ' 102' ' ' ASP . 35.9 t80 -63.76 -57.17 10.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.409 1.068 . . . . 73.120000000000005 111.051 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 17.0 mt-10 -42.51 -28.13 0.2 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.534 1.146 . . . . 72.25 110.297 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.485 ' CB ' ' HB2' ' A' ' 9' ' ' TYR . 8.9 mmtt -73.2 -49.09 29.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.616 1.197 . . . . 72.310000000000002 109.244 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.566 ' HG3' ' CD2' ' A' ' 104' ' ' PHE . 16.7 tpp180 -57.11 -42.19 80.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.437 1.085 . . . . 72.400000000000006 110.345 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.409 ' HG2' ' N ' ' A' ' 16' ' ' ALA . 0.1 OUTLIER -71.33 -43.47 66.94 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 63.020000000000003 109.32 179.971 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.409 ' N ' ' HG2' ' A' ' 15' ' ' LYS . . . -60.41 -31.78 70.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 52.130000000000003 109.327 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.48 ' HG3' HD12 ' A' ' 21' ' ' ILE . 18.0 tp10 -70.41 -44.3 68.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.431 1.082 . . . . 64.25 110.327 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.443 ' HB3' ' CD2' ' A' ' 104' ' ' PHE . 89.5 p -70.47 -19.5 62.94 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 73.400000000000006 110.094 179.91 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -66.3 -23.41 66.37 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.56 1.163 . . . . 72.310000000000002 110.312 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 28.8 mtm180 -101.76 -39.11 7.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.588 1.18 . . . . 74.030000000000001 110.267 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.48 HD12 ' HG3' ' A' ' 17' ' ' GLU . 7.2 mt -60.25 -20.56 20.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.64 1.213 . . . . 70.129999999999995 109.341 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -80.47 -21.65 41.84 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 53.32 109.284 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -103.49 -12.9 16.84 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 74.040000000000006 109.372 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 27.5 mmm-85 -97.08 -48.96 5.18 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.104 . . . . 72.200000000000003 110.268 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.471 ' HB3' ' CG ' ' A' ' 28' ' ' ARG . 1.3 m-85 -132.84 89.5 34.62 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.429 1.081 . . . . 64.319999999999993 110.951 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.98 -34.21 4.02 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.488 1.783 . . . . 74.200000000000003 111.009 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 12.2 p30 -90.9 40.2 1.01 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.469 1.106 . . . . 72.439999999999998 109.305 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.595 ' HB3' HD11 ' A' ' 50' ' ' LEU . 1.6 mmt-85 -126.14 171.37 10.92 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.464 1.103 . . . . 75.129999999999995 110.271 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.486 ' CD1' ' HA ' ' A' ' 92' ' ' SER . 17.4 mm -135.99 98.03 11.99 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 73.209999999999994 109.285 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.998 ' HA ' HD22 ' A' ' 50' ' ' LEU . 18.2 Cg_endo -75.0 117.21 4.83 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.488 1.783 . . . . 64.019999999999996 110.986 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.785 HG22 ' O ' ' A' ' 49' ' ' TYR . 5.7 m -135.61 156.54 38.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 75.340000000000003 109.296 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.732 HG23 ' O ' ' A' ' 47' ' ' ARG . 18.4 mm -124.73 104.91 14.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.558 1.161 . . . . 65.239999999999995 109.292 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.519 ' HB3' ' CE1' ' A' ' 49' ' ' TYR . 2.1 t -84.82 144.32 28.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.419 1.074 . . . . 43.200000000000003 108.311 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.515 ' O ' HG22 ' A' ' 108' ' ' THR . 32.2 tt0 -148.6 156.75 42.83 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.452 1.095 . . . . 74.129999999999995 110.342 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.503 ' HG2' ' CE2' ' A' ' 109' ' ' TYR . 0.0 OUTLIER -92.66 127.39 38.14 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.456 1.098 . . . . 74.109999999999999 109.331 -179.978 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -59.06 177.99 0.14 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.115 . . . . 61.539999999999999 109.343 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.443 ' CG ' ' N ' ' A' ' 38' ' ' LYS . 12.1 pt-20 -96.5 -50.8 4.59 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.486 1.116 . . . . 72.099999999999994 110.348 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.443 ' N ' ' CG ' ' A' ' 37' ' ' GLU . 30.8 mttm -55.05 -43.88 74.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.576 1.172 . . . . 70.129999999999995 109.371 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.4 t -39.84 158.0 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.457 1.098 . . . . 61.219999999999999 110.025 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -114.76 -1.48 13.23 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.462 1.102 . . . . 65.120000000000005 109.366 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.599 HD11 ' CE2' ' A' ' 109' ' ' TYR . 0.1 OUTLIER -74.55 165.71 51.34 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.408 1.067 . . . . 75.430000000000007 109.288 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.1 130.25 13.0 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.424 1.75 . . . . 64.400000000000006 110.985 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.404 ' HG2' ' N ' ' A' ' 44' ' ' ILE . 5.5 tt0 -67.73 144.35 55.47 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.554 1.159 . . . . 74.430000000000007 110.29 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.513 ' CD1' ' OH ' ' A' ' 49' ' ' TYR . 13.9 tt -65.82 171.55 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.492 1.12 . . . . 73.530000000000001 109.22 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.477 ' O ' HG21 ' A' ' 4' ' ' THR . 3.6 t0 -75.67 -40.15 56.42 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.464 1.102 . . . . 74.129999999999995 109.326 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.575 ' HB2' ' CD2' ' A' ' 5' ' ' PHE . 0.0 OUTLIER -153.75 160.75 42.39 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 72.310000000000002 109.259 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.732 ' O ' HG23 ' A' ' 32' ' ' ILE . 0.8 OUTLIER -101.14 96.96 7.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 73.310000000000002 110.334 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.654 ' CB ' ' CE2' ' A' ' 5' ' ' PHE . 3.8 tptt -165.39 127.34 2.05 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.548 1.155 . . . . 65.409999999999997 109.309 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.785 ' O ' HG22 ' A' ' 31' ' ' VAL . 31.2 m-85 -155.99 105.8 2.38 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.517 1.135 . . . . 72.340000000000003 110.966 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.998 HD22 ' HA ' ' A' ' 30' ' ' PRO . 0.4 OUTLIER -94.58 77.05 3.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 74.329999999999998 109.333 179.958 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.749 HG11 ' CD1' ' A' ' 60' ' ' PHE . 9.9 m -75.97 147.04 80.02 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.506 1.128 . . . . 63.399999999999999 109.301 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.94 -177.07 3.2 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.49 1.784 . . . . 72.439999999999998 111.012 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -92.64 18.39 8.79 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.546 1.154 . . . . 72.450000000000003 109.291 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -120.77 -39.11 2.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.41 1.069 . . . . 72.409999999999997 109.339 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.872 HD23 ' HB1' ' B' ' 630' ' ' ALA . 0.0 OUTLIER -58.67 131.68 51.58 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.453 1.096 . . . . 73.349999999999994 109.393 179.959 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.532 ' N ' HD12 ' A' ' 55' ' ' LEU . 0.1 OUTLIER -96.05 -168.69 1.79 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.525 1.141 . . . . 33.539999999999999 110.456 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 3.1 t -77.76 -62.39 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.492 1.12 . . . . 60.439999999999998 109.294 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -53.81 -18.87 9.01 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.468 1.105 . . . . 73.230000000000004 110.953 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.55 ' HB2' ' CD1' ' A' ' 55' ' ' LEU . 68.1 mt-30 -95.6 -27.24 15.43 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.511 0.771 . . . . 74.530000000000001 110.351 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.749 ' CD1' HG11 ' A' ' 51' ' ' VAL . 70.2 t80 -69.64 -36.56 76.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 73.030000000000001 111.031 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.771 HG13 ' CG2' ' A' ' 76' ' ' ILE . 59.1 t -54.09 -47.48 66.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.55 1.156 . . . . 73.010000000000005 109.31 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.557 ' CD1' ' O ' ' A' ' 62' ' ' TYR . 0.1 OUTLIER -43.22 -28.99 0.35 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.62 1.2 . . . . 74.540000000000006 110.974 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.926 HG21 ' C ' ' B' ' 630' ' ' ALA . 79.1 t -80.71 -44.61 21.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.431 1.082 . . . . 65.319999999999993 109.238 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.693 ' CD1' ' CE2' ' A' ' 49' ' ' TYR . 9.3 mm -62.0 -30.88 49.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 74.049999999999997 109.294 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 6.7 tpp85 -82.43 -6.09 59.07 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.395 1.059 . . . . 63.25 110.345 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 8.2 mtmt -86.53 -44.65 11.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.143 . . . . 71.450000000000003 109.302 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.505 ' HG3' HD11 ' A' ' 44' ' ' ILE . 4.4 mmp_? -57.68 -64.66 0.82 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.103 . . . . 74.150000000000006 110.3 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.616 HD11 HD12 ' A' ' 76' ' ' ILE . 5.9 pt -72.75 -5.56 6.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.538 1.149 . . . . 74.209999999999994 109.345 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.501 ' CG ' ' O ' ' A' ' 68' ' ' ILE . 3.8 ptp 42.59 44.34 3.59 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.126 . . . . 64.340000000000003 111.04 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.492 HD22 HD12 ' A' ' 68' ' ' ILE . 5.1 tp -65.79 140.57 97.35 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.492 1.12 . . . . 62.43 109.252 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 171.55 18.1 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.425 1.75 . . . . 75.310000000000002 110.979 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_endo -74.9 -1.49 11.27 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.555 1.818 . . . . 73.310000000000002 111.064 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -86.81 1.95 50.59 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.143 . . . . 75.109999999999999 110.335 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 20.5 mttp -125.51 -179.23 4.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 74.239999999999995 109.311 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -139.61 151.21 45.82 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.516 1.135 . . . . 54.009999999999998 109.308 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.771 ' CG2' HG13 ' A' ' 61' ' ' VAL . 2.1 tt -141.28 119.93 10.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 71.129999999999995 109.25 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.629 ' HB3' HD11 ' A' ' 84' ' ' LEU . 80.9 m-85 -115.62 135.22 54.28 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 70.230000000000004 111.004 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.552 ' CG2' ' CG2' ' A' ' 107' ' ' VAL . 3.0 mm -84.5 137.46 20.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.472 1.108 . . . . 70.040000000000006 109.324 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -128.43 121.28 28.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 63.119999999999997 110.964 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.575 ' O ' HG22 ' A' ' 83' ' ' THR . 2.8 t -122.86 109.24 23.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.582 1.176 . . . . 75.209999999999994 109.302 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' ASN . . . . . 0.503 ' O ' ' CB ' ' A' ' 82' ' ' ASP . 2.4 m120 71.31 19.82 5.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 74.420000000000002 109.226 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' ASP . . . . . 0.503 ' CB ' ' O ' ' A' ' 81' ' ' ASN . 0.9 OUTLIER 81.93 24.53 0.22 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 75.129999999999995 109.248 179.979 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.575 HG22 ' O ' ' A' ' 80' ' ' VAL . 0.7 OUTLIER -133.43 135.36 44.54 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.472 1.108 . . . . 74.25 110.393 -179.97 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.629 HD11 ' HB3' ' A' ' 77' ' ' PHE . 0.2 OUTLIER -91.62 112.27 53.54 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.135 . . . . 64.219999999999999 109.257 179.963 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.09 167.13 27.64 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.45 1.763 . . . . 73.140000000000001 110.93 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' PRO . . . . . 0.834 ' HG2' ' HB2' ' A' ' 89' ' ' ALA . 18.7 Cg_endo -74.84 -168.54 0.52 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.406 1.74 . . . . 70.439999999999998 111.085 179.895 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 3.7 p -97.02 -35.19 10.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.451 1.094 . . . . 62.409999999999997 110.447 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -85.11 8.71 17.09 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.549 1.156 . . . . 71.439999999999998 109.281 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 1.066 ' HB1' HD11 ' A' ' 94' ' ' ILE . . . -76.84 61.23 1.87 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.408 1.068 . . . . 73.430000000000007 109.272 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.591 ' C ' ' O ' ' A' ' 89' ' ' ALA . 0.3 OUTLIER -24.66 122.41 0.05 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 71.209999999999994 109.331 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 91' ' ' MET . . . . . 0.437 ' CG ' ' O ' ' A' ' 55' ' ' LEU . 44.3 mmm -52.93 -19.32 2.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.441 1.088 . . . . 71.209999999999994 110.968 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 92' ' ' SER . . . . . 0.486 ' HA ' ' CD1' ' A' ' 29' ' ' ILE . 10.8 t -69.73 -46.69 65.36 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.483 1.115 . . . . 61.219999999999999 110.024 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -73.25 -31.9 64.39 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.554 1.159 . . . . 70.439999999999998 109.267 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 1.066 HD11 ' HB1' ' A' ' 89' ' ' ALA . 16.6 mm -61.81 -45.32 98.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 61.530000000000001 109.38 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 95' ' ' TYR . . . . . 0.632 ' O ' ' CD1' ' A' ' 95' ' ' TYR . 10.5 t80 -69.19 -6.15 27.11 Favored 'General case' 0 C--N 1.326 -0.413 0 O-C-N 124.429 1.08 . . . . 52.140000000000001 110.99 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 96' ' ' GLN . . . . . 0.466 ' O ' ' CG ' ' A' ' 96' ' ' GLN . 2.7 tp-100 -102.56 -8.97 20.57 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.13 . . . . 73.329999999999998 110.272 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -119.42 -7.82 10.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 70.129999999999995 110.285 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 33.4 m170 -133.04 17.99 4.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 62.030000000000001 109.607 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.484 ' HB3' ' O ' ' A' ' 95' ' ' TYR . 0.0 OUTLIER -51.12 171.87 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.453 1.095 . . . . 60.420000000000002 109.249 -179.973 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -134.73 166.32 23.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.564 1.165 . . . . 64.510000000000005 109.385 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 28.2 mtmt -59.23 -45.6 90.71 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.463 1.102 . . . . 74.239999999999995 109.294 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' ASP . . . . . 0.54 ' HB3' ' CE1' ' A' ' 11' ' ' PHE . 0.5 OUTLIER -72.24 -6.57 43.87 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 52.350000000000001 109.293 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 88.02 -39.58 3.11 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.529 1.143 . . . . 42.140000000000001 110.984 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' PHE . . . . . 0.566 ' CD2' ' HG3' ' A' ' 14' ' ' ARG . 3.7 m-85 -62.76 134.44 56.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.44 0.73 . . . . 73.230000000000004 111.023 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.511 HD13 ' CD2' ' A' ' 95' ' ' TYR . 2.7 tp -79.69 165.4 22.88 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.446 1.091 . . . . 74.420000000000002 109.281 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 88.4 m-85 -142.19 91.88 2.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 64.400000000000006 111.05 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.552 ' CG2' ' CG2' ' A' ' 78' ' ' ILE . 1.4 p -102.43 164.73 3.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.64 1.212 . . . . 71.319999999999993 109.164 -179.907 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 108' ' ' THR . . . . . 0.515 HG22 ' O ' ' A' ' 34' ' ' GLU . 0.2 OUTLIER -144.53 160.48 41.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.446 1.091 . . . . 74.209999999999994 110.359 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 109' ' ' TYR . . . . . 0.743 ' CD2' HD11 ' A' ' 76' ' ' ILE . 41.5 p90 -138.85 135.98 35.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.54 1.15 . . . . 63.539999999999999 111.041 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 52.7 p -127.46 160.29 31.92 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.468 1.105 . . . . 73.5 110.05 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 111' ' ' GLY . . . . . 0.472 ' HA3' ' CG2' ' A' ' 41' ' ' ILE . . . -80.89 -3.14 90.58 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.463 1.102 . . . . 54.340000000000003 110.998 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 10.9 pm0 -125.95 159.65 32.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 0.77 . . . . 65.25 110.356 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 113' ' ' ASN . . . . . 0.406 ' OD1' HD22 ' A' ' 84' ' ' LEU . 30.5 t30 -92.22 15.79 12.88 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.56 1.162 . . . . 71.129999999999995 109.271 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 114' ' ' THR . . . . . 0.704 HG22 ' H ' ' A' ' 115' ' ' PHE . 4.7 m -138.56 -171.14 2.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 73.219999999999999 110.374 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 115' ' ' PHE . . . . . 0.704 ' H ' HG22 ' A' ' 114' ' ' THR . 4.1 p90 -115.78 97.74 6.29 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.429 1.081 . . . . 74.329999999999998 110.973 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 O-C-N 124.475 1.109 . . . . 63.520000000000003 110.975 179.939 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 597' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.038 0 N-CA-C 110.937 -0.865 . . . . 75.340000000000003 110.937 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 598' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 107.68 2.54 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.552 1.817 . . . . 62.549999999999997 111.01 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 599' ' ' HIS . . . . . 0.493 ' CD2' ' HE2' ' A' ' 1' ' ' MET . 59.1 m80 -153.32 164.9 37.3 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.512 1.132 . . . . 61.329999999999998 109.581 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 600' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -175.73 -174.53 0.69 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 71.310000000000002 110.988 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 601' ' ' ILE . . . . . 0.512 HG23 ' HZ2' ' A' ' 6' ' ' LYS . 24.0 mm -47.93 101.74 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.527 1.142 . . . . 72.439999999999998 109.306 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 602' ' ' SER . . . . . . . . . . . . . 49.1 m -87.76 -74.58 0.44 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 55.439999999999998 109.955 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 603' ' ' GLY . . . . . . . . . . . . . . . 48.72 95.69 0.01 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.487 1.117 . . . . 71.310000000000002 111.095 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 604' ' ' LEU . . . . . 0.529 HD23 ' CG1' ' B' ' 606' ' ' VAL . 61.5 tp -116.31 164.97 13.73 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 0.779 . . . . 63.329999999999998 109.277 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 605' ' ' SER . . . . . 0.505 ' H ' HD12 ' B' ' 604' ' ' LEU . 4.8 t -89.72 42.68 1.1 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 73.049999999999997 109.954 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 606' ' ' VAL . . . . . 0.529 ' CG1' HD23 ' B' ' 604' ' ' LEU . 4.6 p -115.94 157.02 16.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.555 1.16 . . . . 74.109999999999999 109.22 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 607' ' ' ILE . . . . . 0.728 HG22 ' H ' ' B' ' 608' ' ' LYS . 1.9 mm -121.36 -174.87 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.455 1.097 . . . . 71.450000000000003 109.323 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 608' ' ' LYS . . . . . 0.728 ' H ' HG22 ' B' ' 607' ' ' ILE . 8.2 mttm 70.02 23.49 5.38 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.456 1.098 . . . . 71.519999999999996 109.302 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 609' ' ' GLN . . . . . 0.419 ' CB ' ' O ' ' A' ' 8' ' ' GLU . 18.7 mm100 -38.33 155.0 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.561 1.163 . . . . 75.510000000000005 110.371 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 610' ' ' GLU . . . . . 0.716 ' O ' HG13 ' B' ' 611' ' ' VAL . 5.4 pt-20 -53.0 -173.73 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.486 1.116 . . . . 74.310000000000002 110.216 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 611' ' ' VAL . . . . . 0.716 HG13 ' O ' ' B' ' 610' ' ' GLU . 2.4 m -160.79 116.23 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.56 1.162 . . . . 74.530000000000001 109.237 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 612' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -109.54 -80.15 0.58 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 72.219999999999999 110.342 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 613' ' ' ARG . . . . . 0.561 ' HD2' ' CZ3' ' B' ' 621' ' ' TRP . 6.5 ptt180 -115.77 -33.42 5.16 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.402 1.064 . . . . 71.310000000000002 110.34 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 614' ' ' LEU . . . . . 0.834 HD23 ' HZ3' ' B' ' 621' ' ' TRP . 4.1 pp -110.43 -173.3 2.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 75.010000000000005 109.358 179.907 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 615' ' ' GLY . . . . . . . . . . . . . . . -170.96 -106.36 0.19 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.508 1.13 . . . . 55.229999999999997 111.011 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 616' ' ' ASN . . . . . . . . . . . . . 5.6 t-20 -40.05 -66.45 0.31 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.576 0.809 . . . . 73.319999999999993 109.322 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 617' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -87.78 -167.63 1.95 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.474 1.108 . . . . 64.209999999999994 109.288 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 618' ' ' VAL . . . . . 0.589 HG12 ' OH ' ' A' ' 9' ' ' TYR . 0.4 OUTLIER -106.84 -37.17 3.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.553 1.158 . . . . 73.239999999999995 109.323 179.963 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 619' ' ' PHE . . . . . 0.485 ' N ' ' CD1' ' B' ' 619' ' ' PHE . 4.4 m-30 -99.55 87.61 3.63 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.505 1.128 . . . . 72.230000000000004 110.991 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 620' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -113.32 21.26 15.41 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.484 1.115 . . . . 53.420000000000002 110.288 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 621' ' ' TRP . . . . . 0.834 ' HZ3' HD23 ' B' ' 614' ' ' LEU . 2.9 p90 -141.82 -169.97 3.02 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 108.001 -1.111 . . . . 73.319999999999993 108.001 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 622' ' ' GLU . . . . . 0.419 ' O ' ' O ' ' B' ' 623' ' ' ASP . 7.2 pt-20 -52.45 -174.49 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.555 1.159 . . . . 64.150000000000006 110.284 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 623' ' ' ASP . . . . . 0.419 ' O ' ' O ' ' B' ' 622' ' ' GLU . 36.3 m-20 39.29 90.67 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.454 1.096 . . . . 72.319999999999993 109.316 -179.906 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 624' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -84.82 -46.71 11.09 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 63.210000000000001 109.251 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 625' ' ' GLU . . . . . 0.409 ' O ' ' C ' ' B' ' 626' ' ' SER . 1.9 pt-20 -131.59 11.32 4.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 75.099999999999994 110.261 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 626' ' ' SER . . . . . 0.593 ' O ' HD11 ' B' ' 629' ' ' ILE . 32.8 t -38.8 152.23 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.517 1.135 . . . . 72.439999999999998 110.103 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 627' ' ' ASP . . . . . . . . . . . . . 47.0 p30 -89.34 15.51 8.98 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.416 1.073 . . . . 61.450000000000003 109.314 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 628' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -79.46 -4.52 51.58 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.113 . . . . 70.040000000000006 110.299 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 629' ' ' ILE . . . . . 0.593 HD11 ' O ' ' B' ' 626' ' ' SER . 1.2 pp -110.53 25.25 3.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.147 . . . . 61.409999999999997 109.317 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 630' ' ' ALA . . . . . 0.926 ' C ' HG21 ' A' ' 63' ' ' VAL . . . . . . . . 0 C--N 1.324 -0.511 0 O-C-N 124.543 1.152 . . . . 73.25 109.288 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 0' ' ' HIS . . . . . . . . . . . . . 1.8 t-160 . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.54 -0.541 . . . . 72.510000000000005 109.54 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -164.08 -176.32 4.44 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.457 1.098 . . . . 71.219999999999999 110.994 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 25.3 mttt -140.17 -52.79 0.51 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.455 1.097 . . . . 64.099999999999994 109.338 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.7 m -74.73 174.94 8.44 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.441 1.088 . . . . 61.210000000000001 109.979 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.662 ' CG2' HH21 ' A' ' 47' ' ' ARG . 81.3 p -147.45 -74.99 0.19 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.122 . . . . 74.439999999999998 110.398 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.609 ' CZ ' ' OH ' ' A' ' 9' ' ' TYR . 88.2 t80 -57.99 -30.32 65.96 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.546 1.153 . . . . 75.109999999999999 110.972 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 17.5 ttpp -91.64 -28.16 17.66 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.563 1.164 . . . . 72.109999999999999 109.278 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 19.9 t -80.5 2.97 23.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.613 1.195 . . . . 63.350000000000001 109.956 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.509 ' HB3' ' CD1' ' A' ' 9' ' ' TYR . 12.8 tp10 -85.6 -32.88 21.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 75.049999999999997 110.319 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.609 ' OH ' ' CZ ' ' A' ' 5' ' ' PHE . 2.0 p90 -148.2 166.37 15.88 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.487 1.117 . . . . 62.130000000000003 111.035 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.9 168.38 24.97 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.502 1.791 . . . . 44.439999999999998 111.042 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.545 ' CE2' ' HB3' ' A' ' 102' ' ' ASP . 1.4 t80 -61.97 -28.81 69.81 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.558 1.161 . . . . 73.120000000000005 110.998 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 13.5 mt-10 -66.96 -8.71 31.7 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.648 1.217 . . . . 72.25 110.283 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.8 tppp? -100.06 -48.73 4.54 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.522 1.138 . . . . 72.310000000000002 109.301 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.8 HH21 ' HB3' ' A' ' 104' ' ' PHE . 4.2 ptm85 -64.52 -42.98 95.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 72.400000000000006 110.278 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.491 ' HD3' ' CE1' ' A' ' 11' ' ' PHE . 2.2 pttt -56.37 -40.03 73.9 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.531 1.145 . . . . 63.020000000000003 109.331 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -77.77 -19.65 54.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 52.130000000000003 109.284 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.592 ' HG2' HG11 ' B' ' 618' ' ' VAL . 13.7 tp10 -74.73 -58.23 3.42 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.114 . . . . 64.25 110.288 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -57.46 -17.11 11.63 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.494 1.121 . . . . 73.400000000000006 109.959 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -68.57 -45.13 72.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 72.310000000000002 110.315 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.425 ' HG3' ' N ' ' A' ' 21' ' ' ILE . 0.5 OUTLIER -75.68 -24.61 56.32 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.526 1.141 . . . . 74.030000000000001 110.272 -179.938 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.425 ' N ' ' HG3' ' A' ' 20' ' ' ARG . 5.9 mt -66.76 -23.08 30.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.546 1.154 . . . . 70.129999999999995 109.288 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -68.51 -17.2 64.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.108 . . . . 53.32 109.287 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -102.15 -41.08 6.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.45 1.094 . . . . 74.040000000000006 109.295 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.598 ' O ' ' CD1' ' A' ' 25' ' ' PHE . 14.1 mmm-85 -66.4 -33.04 74.83 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.531 1.145 . . . . 72.200000000000003 110.309 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.598 ' CD1' ' O ' ' A' ' 24' ' ' ARG . 34.3 m-85 -159.75 86.56 2.06 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.459 1.099 . . . . 64.319999999999993 110.976 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -14.36 21.15 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.483 1.781 . . . . 74.200000000000003 110.933 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 20.6 m-20 -107.76 48.49 0.85 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 72.439999999999998 109.317 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.522 ' O ' HD13 ' A' ' 29' ' ' ILE . 8.5 mmt85 -134.31 -179.66 5.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 75.129999999999995 110.294 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.522 HD13 ' O ' ' A' ' 28' ' ' ARG . 37.3 mm -143.2 97.31 5.7 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.13 . . . . 73.209999999999994 109.368 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.575 ' HD2' ' CE2' ' A' ' 95' ' ' TYR . 18.2 Cg_endo -74.96 123.9 8.25 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.518 1.799 . . . . 64.019999999999996 111.024 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.461 HG13 HG22 ' A' ' 51' ' ' VAL . 0.9 OUTLIER -134.0 173.4 14.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.504 1.128 . . . . 75.340000000000003 109.323 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.448 ' N ' ' O ' ' A' ' 105' ' ' LEU . 7.4 mm -135.04 98.45 2.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.135 . . . . 65.239999999999995 109.29 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.683 ' HA ' HG13 ' A' ' 107' ' ' VAL . 14.3 t -68.22 116.03 8.36 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.552 1.158 . . . . 43.200000000000003 108.291 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.896 ' HB3' HG23 ' A' ' 108' ' ' THR . 16.5 tp10 -114.3 158.09 21.9 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.562 1.164 . . . . 74.129999999999995 110.324 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.569 ' HG2' ' CE2' ' A' ' 109' ' ' TYR . 0.2 OUTLIER -118.69 116.69 27.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 74.109999999999999 109.378 179.941 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -55.88 172.71 0.17 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.528 1.142 . . . . 61.539999999999999 109.282 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.427 ' CG ' ' N ' ' A' ' 38' ' ' LYS . 11.6 pt-20 -96.16 -49.28 5.3 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.477 1.111 . . . . 72.099999999999994 110.328 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.427 ' N ' ' CG ' ' A' ' 37' ' ' GLU . 35.7 mttm -51.26 -31.33 20.61 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.465 1.103 . . . . 70.129999999999995 109.309 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -56.58 153.13 10.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 61.219999999999999 109.989 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 9.3 t0 -115.77 13.95 16.24 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.456 1.097 . . . . 65.120000000000005 109.256 -179.876 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.613 HD11 ' CE2' ' A' ' 109' ' ' TYR . 0.1 OUTLIER -85.45 165.78 33.98 Favored Pre-proline 0 C--N 1.326 -0.434 0 O-C-N 124.547 1.155 . . . . 75.430000000000007 109.281 -179.95 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.523 ' O ' HG21 ' A' ' 68' ' ' ILE . 18.4 Cg_endo -75.12 122.48 7.18 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.472 1.775 . . . . 64.400000000000006 110.985 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -62.55 142.75 57.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.44 1.087 . . . . 74.430000000000007 110.304 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.503 ' CD1' ' OH ' ' A' ' 49' ' ' TYR . 17.8 tt -68.67 170.16 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 73.530000000000001 109.289 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -70.85 -46.24 63.04 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.535 1.147 . . . . 74.129999999999995 109.404 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -151.18 160.02 44.09 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.507 1.129 . . . . 72.310000000000002 109.241 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.662 HH21 ' CG2' ' A' ' 4' ' ' THR . 0.0 OUTLIER -103.7 93.6 5.0 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 73.310000000000002 110.333 179.968 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.595 ' HG2' ' CE2' ' A' ' 5' ' ' PHE . 0.0 OUTLIER -167.03 112.28 0.75 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.554 1.159 . . . . 65.409999999999997 109.215 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.57 ' CD1' ' HB2' ' A' ' 33' ' ' CYS . 27.7 m-85 -136.91 119.66 16.19 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.516 1.135 . . . . 72.340000000000003 110.997 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.474 HD13 ' HA ' ' A' ' 50' ' ' LEU . 0.0 OUTLIER -98.68 76.72 2.22 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.53 1.144 . . . . 74.329999999999998 109.299 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.568 HG11 ' CD1' ' A' ' 60' ' ' PHE . 13.1 m -80.42 147.59 64.39 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.12 . . . . 63.399999999999999 109.239 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 51' ' ' VAL . 18.1 Cg_endo -75.13 -178.56 4.28 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.53 1.805 . . . . 72.439999999999998 110.962 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -93.16 18.42 9.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.115 . . . . 72.450000000000003 109.272 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 32.4 m-20 -119.47 -38.38 3.02 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.451 1.094 . . . . 72.409999999999997 109.291 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.8 HD13 ' HB1' ' B' ' 630' ' ' ALA . 0.5 OUTLIER -56.32 131.19 47.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.106 . . . . 73.349999999999994 109.318 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 56' ' ' THR . . . . . 1.011 HG22 ' CD2' ' A' ' 90' ' ' LEU . 5.6 p -92.37 175.22 6.92 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.486 1.116 . . . . 33.539999999999999 110.45 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.484 ' CG1' ' O ' ' A' ' 86' ' ' PRO . 3.2 t -66.09 -35.75 75.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.55 1.156 . . . . 60.439999999999998 109.357 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -77.74 -6.41 86.98 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.564 1.165 . . . . 73.230000000000004 110.979 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.617 ' OE1' HG23 ' A' ' 56' ' ' THR . 53.7 mt-30 -99.63 -22.19 15.53 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.541 0.789 . . . . 74.530000000000001 110.342 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.735 ' CZ ' HD11 ' A' ' 64' ' ' ILE . 40.0 t80 -78.24 -54.39 6.28 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 73.030000000000001 111.044 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.726 HG22 ' CG1' ' A' ' 78' ' ' ILE . 63.9 t -40.25 -34.63 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.508 1.13 . . . . 73.010000000000005 109.277 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.573 ' CD1' ' HD3' ' A' ' 66' ' ' LYS . 0.5 OUTLIER -58.07 -57.29 13.47 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.449 1.093 . . . . 74.540000000000006 111.062 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.926 HG21 ' C ' ' B' ' 630' ' ' ALA . 74.3 t -56.64 -40.86 72.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 65.319999999999993 109.33 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.735 HD11 ' CZ ' ' A' ' 60' ' ' PHE . 29.5 mm -57.93 -50.94 76.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.558 1.162 . . . . 74.049999999999997 109.313 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.468 ' CD ' ' HB3' ' A' ' 70' ' ' LEU . 8.4 tpp85 -59.25 -31.32 68.97 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.491 1.12 . . . . 63.25 110.229 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.573 ' HD3' ' CD1' ' A' ' 62' ' ' TYR . 0.1 OUTLIER -64.5 -53.71 43.75 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.529 1.143 . . . . 71.450000000000003 109.312 -179.962 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.412 ' HG3' ' OH ' ' A' ' 49' ' ' TYR . 0.7 OUTLIER -48.26 -66.16 0.45 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.572 1.17 . . . . 74.150000000000006 110.313 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.732 HD11 HD12 ' A' ' 76' ' ' ILE . 5.4 pt -71.23 -5.98 6.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.516 1.135 . . . . 74.209999999999994 109.261 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.508 ' CG ' ' O ' ' A' ' 68' ' ' ILE . 9.0 ptp 43.21 43.96 4.23 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 64.340000000000003 110.974 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.475 HD12 ' HA ' ' A' ' 70' ' ' LEU . 5.6 tp -66.79 140.75 96.43 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 62.43 109.321 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.422 ' HD3' ' HA ' ' A' ' 70' ' ' LEU . 18.3 Cg_endo -75.13 167.57 26.63 Favored 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.433 1.754 . . . . 75.310000000000002 110.972 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 0.13 9.25 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.612 1.848 . . . . 73.310000000000002 110.997 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -89.23 4.06 49.93 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 75.109999999999999 110.3 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -124.85 -179.39 4.51 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.475 1.11 . . . . 74.239999999999995 109.287 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.408 ' HB1' ' CE1' ' A' ' 77' ' ' PHE . . . -138.27 138.06 38.07 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.125 . . . . 54.009999999999998 109.304 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.732 HD12 HD11 ' A' ' 68' ' ' ILE . 0.9 OUTLIER -131.66 121.44 47.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.56 1.163 . . . . 71.129999999999995 109.254 -180.0 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.478 ' HB3' HD11 ' A' ' 84' ' ' LEU . 70.5 m-85 -120.42 143.08 48.66 Favored 'General case' 0 C--N 1.327 -0.408 0 O-C-N 124.468 1.105 . . . . 70.230000000000004 111.02 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.726 ' CG1' HG22 ' A' ' 61' ' ' VAL . 3.7 mm -84.7 157.84 3.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.448 1.092 . . . . 70.040000000000006 109.33 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' PHE . . . . . 0.484 ' N ' ' O ' ' A' ' 108' ' ' THR . 5.8 m-85 -148.23 129.76 14.92 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 63.119999999999997 111.085 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.593 ' O ' HG22 ' A' ' 83' ' ' THR . 2.0 t -138.2 114.87 11.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.424 1.077 . . . . 75.209999999999994 109.3 -179.899 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' ASN . . . . . 0.481 ' O ' ' CB ' ' A' ' 82' ' ' ASP . 1.4 m120 67.31 20.28 10.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.146 . . . . 74.420000000000002 109.347 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' ASP . . . . . 0.481 ' CB ' ' O ' ' A' ' 81' ' ' ASN . 0.2 OUTLIER 82.42 16.02 0.4 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.47 1.106 . . . . 75.129999999999995 109.259 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.593 HG22 ' O ' ' A' ' 80' ' ' VAL . 0.7 OUTLIER -121.45 137.59 54.65 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.469 1.106 . . . . 74.25 110.372 -179.936 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.501 ' CD1' ' O ' ' A' ' 78' ' ' ILE . 0.2 OUTLIER -92.87 111.22 50.32 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.574 1.171 . . . . 64.219999999999999 109.284 179.958 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 85' ' ' PRO . . . . . 0.405 ' HD3' ' O ' ' A' ' 83' ' ' THR . 18.3 Cg_endo -75.01 155.33 42.87 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.483 1.78 . . . . 73.140000000000001 110.972 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' PRO . . . . . 0.643 ' HD2' ' HB2' ' A' ' 89' ' ' ALA . 18.5 Cg_endo -75.03 -163.34 0.18 Allowed 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.65 1.869 . . . . 70.439999999999998 111.06 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 7.1 p -97.22 -34.81 10.97 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 62.409999999999997 110.323 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -79.62 2.68 21.54 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.412 1.07 . . . . 71.439999999999998 109.224 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 1.054 ' HB1' HD11 ' A' ' 94' ' ' ILE . . . -76.44 60.28 1.56 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.444 1.09 . . . . 73.430000000000007 109.341 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 1.011 ' CD2' HG22 ' A' ' 56' ' ' THR . 14.6 mt -28.34 118.09 0.11 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 71.209999999999994 109.374 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 91' ' ' MET . . . . . 0.4 ' HE2' HG21 ' A' ' 51' ' ' VAL . 48.2 mmm -40.22 -28.22 0.06 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 71.209999999999994 110.962 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 92' ' ' SER . . . . . 0.419 ' N ' ' O ' ' A' ' 90' ' ' LEU . 1.0 OUTLIER -66.1 -49.66 66.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.595 1.185 . . . . 61.219999999999999 109.97 -179.964 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.446 ' N ' ' O ' ' A' ' 90' ' ' LEU . . . -71.96 -8.15 52.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.566 1.166 . . . . 70.439999999999998 109.256 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 1.054 HD11 ' HB1' ' A' ' 89' ' ' ALA . 19.8 mm -90.21 -47.6 14.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.565 1.165 . . . . 61.530000000000001 109.259 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 95' ' ' TYR . . . . . 0.814 ' CD2' HD23 ' A' ' 105' ' ' LEU . 5.1 t80 -70.9 -6.45 38.44 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 52.140000000000001 111.068 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 96' ' ' GLN . . . . . 0.451 ' O ' ' CG ' ' A' ' 96' ' ' GLN . 19.0 tp60 -100.71 -9.7 21.56 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.454 1.096 . . . . 73.329999999999998 110.26 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 97' ' ' GLU . . . . . 0.505 ' HG3' ' CD2' ' A' ' 98' ' ' HIS . 4.6 pt-20 -118.09 -10.59 10.31 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.535 1.147 . . . . 70.129999999999995 110.322 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 98' ' ' HIS . . . . . 0.505 ' CD2' ' HG3' ' A' ' 97' ' ' GLU . 30.4 m170 -125.8 16.78 8.04 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 62.030000000000001 109.625 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.474 ' HB3' ' O ' ' A' ' 95' ' ' TYR . 0.1 OUTLIER -57.05 157.19 6.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.607 1.192 . . . . 60.420000000000002 109.322 -179.953 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -126.72 173.81 9.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.11 . . . . 64.510000000000005 109.29 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 20.9 mmmt -60.45 -31.18 70.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 74.239999999999995 109.338 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' ASP . . . . . 0.545 ' HB3' ' CE2' ' A' ' 11' ' ' PHE . 0.4 OUTLIER -84.11 -15.22 48.09 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.572 1.17 . . . . 52.350000000000001 109.293 179.927 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 103' ' ' GLY . . . . . 0.473 ' O ' ' CE2' ' A' ' 95' ' ' TYR . . . 87.87 -39.31 3.12 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.491 1.119 . . . . 42.140000000000001 110.992 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 104' ' ' PHE . . . . . 0.8 ' HB3' HH21 ' A' ' 14' ' ' ARG . 11.9 m-85 -59.7 121.08 10.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 0.759 . . . . 73.230000000000004 110.996 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.814 HD23 ' CD2' ' A' ' 95' ' ' TYR . 0.3 OUTLIER -66.06 146.33 54.8 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 74.420000000000002 109.335 179.955 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 106' ' ' TYR . . . . . 0.423 ' OH ' ' NE ' ' A' ' 14' ' ' ARG . 73.0 m-85 -122.82 88.8 2.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.144 . . . . 64.400000000000006 110.929 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.683 HG13 ' HA ' ' A' ' 33' ' ' CYS . 3.1 p -95.09 168.19 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.506 1.129 . . . . 71.319999999999993 109.28 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 108' ' ' THR . . . . . 0.896 HG23 ' HB3' ' A' ' 34' ' ' GLU . 0.2 OUTLIER -153.02 126.84 8.9 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.468 1.105 . . . . 74.209999999999994 110.388 -179.958 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 109' ' ' TYR . . . . . 0.627 ' CD2' HD11 ' A' ' 76' ' ' ILE . 40.4 p90 -112.34 138.68 48.72 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.381 1.051 . . . . 63.539999999999999 111.047 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -128.71 162.9 26.3 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.507 1.129 . . . . 73.5 109.978 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 111' ' ' GLY . . . . . 0.483 ' HA3' ' CG2' ' A' ' 41' ' ' ILE . . . -74.01 -31.35 59.94 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.462 1.101 . . . . 54.340000000000003 111.01 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 112' ' ' GLU . . . . . 0.427 ' OE1' ' N ' ' A' ' 112' ' ' GLU . 3.6 pm0 -97.29 177.28 5.61 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 0.784 . . . . 65.25 110.318 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 38.8 t30 -112.64 28.62 8.63 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.553 1.158 . . . . 71.129999999999995 109.314 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 114' ' ' THR . . . . . 0.569 HG22 ' H ' ' A' ' 115' ' ' PHE . 3.1 m -153.55 -178.1 6.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.13 . . . . 73.219999999999999 110.39 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 115' ' ' PHE . . . . . 0.569 ' H ' HG22 ' A' ' 114' ' ' THR . 1.3 p90 -119.3 97.26 5.58 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.594 1.184 . . . . 74.329999999999998 111.036 -179.917 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.948 0 O-C-N 124.573 1.17 . . . . 63.520000000000003 111.004 -179.957 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 597' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 N-CA-C 110.951 -0.86 . . . . 75.340000000000003 110.951 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 598' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.09 131.52 14.28 Favored 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.484 1.781 . . . . 62.549999999999997 110.959 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 599' ' ' HIS . . . . . . . . . . . . . 11.1 t-160 -93.97 130.32 40.11 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 61.329999999999998 109.559 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 600' ' ' MET . . . . . . . . . . . . . 2.7 ptt? -68.99 119.55 13.47 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.434 1.084 . . . . 71.310000000000002 110.991 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 601' ' ' ILE . . . . . . . . . . . . . 2.2 tt -43.05 135.33 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.566 1.166 . . . . 72.439999999999998 109.258 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 602' ' ' SER . . . . . . . . . . . . . 97.9 p -118.81 131.7 56.1 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.462 1.101 . . . . 55.439999999999998 109.981 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 603' ' ' GLY . . . . . . . . . . . . . . . 176.76 -130.33 1.64 Allowed Glycine 0 CA--C 1.529 0.93 0 O-C-N 124.521 1.138 . . . . 71.310000000000002 111.031 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 604' ' ' LEU . . . . . . . . . . . . . 1.4 pt? -118.09 126.38 52.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 0.753 . . . . 63.329999999999998 109.294 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 605' ' ' SER . . . . . . . . . . . . . 4.9 p -164.24 162.79 22.76 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.449 1.093 . . . . 73.049999999999997 110.018 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 606' ' ' VAL . . . . . . . . . . . . . 28.4 m -59.86 175.4 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.133 . . . . 74.109999999999999 109.341 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 607' ' ' ILE . . . . . 0.694 HG22 ' H ' ' B' ' 608' ' ' LYS . 0.6 OUTLIER -104.09 179.22 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.54 1.15 . . . . 71.450000000000003 109.267 -179.959 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 608' ' ' LYS . . . . . 0.694 ' H ' HG22 ' B' ' 607' ' ' ILE . 0.0 OUTLIER -152.1 109.54 3.59 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 71.519999999999996 109.33 179.97 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 609' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -104.24 128.18 51.96 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.602 1.189 . . . . 75.510000000000005 110.338 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 610' ' ' GLU . . . . . . . . . . . . . 17.8 mm-40 -118.33 -174.75 2.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 74.310000000000002 110.313 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 611' ' ' VAL . . . . . 0.477 HG23 ' O ' ' B' ' 614' ' ' LEU . 0.4 OUTLIER -135.94 117.62 20.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.566 1.167 . . . . 74.530000000000001 109.335 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 612' ' ' GLU . . . . . 0.411 ' HG3' ' CG ' ' B' ' 613' ' ' ARG . 6.7 pt-20 -102.6 -38.03 7.69 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.502 1.126 . . . . 72.219999999999999 110.307 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 613' ' ' ARG . . . . . 0.64 ' HG3' HD12 ' B' ' 614' ' ' LEU . 0.8 OUTLIER -150.3 -44.73 0.13 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.155 . . . . 71.310000000000002 110.31 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 614' ' ' LEU . . . . . 0.64 HD12 ' HG3' ' B' ' 613' ' ' ARG . 5.1 mp -69.24 -169.03 0.17 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 75.010000000000005 109.293 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 615' ' ' GLY . . . . . . . . . . . . . . . -174.84 -111.52 0.28 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.516 1.135 . . . . 55.229999999999997 110.963 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 616' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -58.63 -87.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 0.757 . . . . 73.319999999999993 109.32 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 617' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -55.11 -169.5 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.556 0 O-C-N 124.576 1.172 . . . . 64.209999999999994 109.324 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 618' ' ' VAL . . . . . 0.621 ' O ' HD23 ' B' ' 614' ' ' LEU . 0.0 OUTLIER -110.72 -24.6 3.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.586 1.179 . . . . 73.239999999999995 109.307 179.957 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 619' ' ' PHE . . . . . 0.574 ' CZ ' ' HE2' ' A' ' 48' ' ' LYS . 9.8 m-85 -122.25 107.37 12.04 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.541 1.15 . . . . 72.230000000000004 111.025 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 620' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -139.19 50.64 1.8 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.464 1.103 . . . . 53.420000000000002 110.295 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 621' ' ' TRP . . . . . 0.406 ' HZ3' HD11 ' B' ' 614' ' ' LEU . 1.9 p90 -151.7 -177.24 5.99 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.124 . . . . 73.319999999999993 108.003 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 622' ' ' GLU . . . . . 0.43 ' HG3' ' N ' ' B' ' 623' ' ' ASP . 4.5 tp10 -41.71 -82.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.14 . . . . 64.150000000000006 110.298 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 623' ' ' ASP . . . . . 0.509 ' OD2' ' CB ' ' B' ' 626' ' ' SER . 13.1 t0 -74.35 64.42 1.12 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.457 1.098 . . . . 72.319999999999993 109.365 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 624' ' ' ASP . . . . . 0.525 ' O ' ' CG ' ' B' ' 619' ' ' PHE . 1.3 p-10 -59.53 -50.3 74.42 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.517 1.136 . . . . 63.210000000000001 109.305 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 625' ' ' GLU . . . . . 0.478 ' N ' ' CG ' ' B' ' 624' ' ' ASP . 0.0 OUTLIER -136.67 8.79 3.08 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.404 1.065 . . . . 75.099999999999994 110.258 -179.967 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 626' ' ' SER . . . . . 0.509 ' CB ' ' OD2' ' B' ' 623' ' ' ASP . 0.9 OUTLIER -38.78 150.79 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.547 1.154 . . . . 72.439999999999998 110.002 179.951 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 627' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -86.48 10.31 15.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 61.450000000000003 109.408 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 628' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -72.0 -12.63 61.32 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.493 1.121 . . . . 70.040000000000006 110.218 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 629' ' ' ILE . . . . . 0.486 ' C ' HD12 ' B' ' 629' ' ' ILE . 0.7 OUTLIER -92.07 26.57 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 61.409999999999997 109.284 -179.969 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 630' ' ' ALA . . . . . 0.926 ' C ' HG21 ' A' ' 63' ' ' VAL . . . . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.548 1.155 . . . . 73.25 109.303 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 0' ' ' HIS . . . . . 0.414 ' ND1' ' N ' ' A' ' 0' ' ' HIS . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.607 -0.516 . . . . 72.510000000000005 109.607 . . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.4 mmt -87.56 -173.54 4.39 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.524 1.14 . . . . 71.219999999999999 111.0 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 81.9 mttt -133.56 -52.05 0.87 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 64.099999999999994 109.245 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.468 ' HA ' ' CZ ' ' A' ' 47' ' ' ARG . 6.1 m -72.33 174.69 6.96 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.564 1.165 . . . . 61.210000000000001 110.005 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 2.1 p -139.87 -74.22 0.36 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 74.439999999999998 110.4 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.814 ' HA ' HD11 ' B' ' 614' ' ' LEU . 59.1 t80 -66.56 -23.1 66.16 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.11 . . . . 75.109999999999999 111.031 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.931 ' HD3' HG21 ' A' ' 32' ' ' ILE . 3.8 mtmm -100.86 -24.45 14.36 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.415 1.072 . . . . 72.109999999999999 109.289 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 1.3 t -70.09 -6.53 34.55 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.485 1.116 . . . . 63.350000000000001 110.002 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.83 ' CB ' HD12 ' B' ' 614' ' ' LEU . 6.9 tp10 -79.77 -50.35 10.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 75.049999999999997 110.379 179.889 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.999 ' CZ ' HG12 ' B' ' 618' ' ' VAL . 2.3 p90 -123.53 165.17 24.23 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.541 1.15 . . . . 62.130000000000003 110.958 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.452 ' HD3' ' CG ' ' B' ' 609' ' ' GLN . 18.4 Cg_endo -74.99 -177.16 3.27 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.521 1.8 . . . . 44.439999999999998 111.017 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 33.5 t80 -74.52 -33.06 62.69 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.538 1.149 . . . . 73.120000000000005 111.074 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.408 ' HG2' ' NZ ' ' A' ' 15' ' ' LYS . 18.9 mt-10 -69.81 -7.2 37.86 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.471 1.107 . . . . 72.25 110.284 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 6.4 tppt? -100.42 -41.52 6.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.141 . . . . 72.310000000000002 109.309 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.454 ' NE ' ' OH ' ' A' ' 106' ' ' TYR . 3.3 ptm85 -72.64 -39.57 67.07 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.425 1.078 . . . . 72.400000000000006 110.317 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.443 ' N ' ' CG ' ' A' ' 14' ' ' ARG . 47.5 pttt -58.9 -37.22 76.13 Favored 'General case' 0 C--N 1.327 -0.404 0 O-C-N 124.433 1.083 . . . . 63.020000000000003 109.363 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -82.4 -16.07 50.38 Favored 'General case' 0 C--N 1.327 -0.392 0 O-C-N 124.467 1.105 . . . . 52.130000000000003 109.281 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.597 ' HG2' HG21 ' B' ' 618' ' ' VAL . 27.3 tp10 -76.3 -50.85 13.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.558 1.161 . . . . 64.25 110.321 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.481 ' OG ' ' CD2' ' A' ' 104' ' ' PHE . 0.0 OUTLIER -66.38 -10.35 42.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.59 1.181 . . . . 73.400000000000006 110.008 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -72.04 -41.0 67.98 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.138 . . . . 72.310000000000002 110.344 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.409 ' HG3' ' N ' ' A' ' 21' ' ' ILE . 0.7 OUTLIER -81.31 -27.91 34.82 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.502 1.126 . . . . 74.030000000000001 110.282 179.959 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.456 HG12 ' CE2' ' A' ' 25' ' ' PHE . 3.7 mt -69.05 -19.17 23.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.543 1.152 . . . . 70.129999999999995 109.347 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -78.97 -11.96 60.02 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.454 1.097 . . . . 53.32 109.309 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -106.18 -36.63 6.84 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 74.040000000000006 109.295 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.503 ' HB3' ' CE1' ' A' ' 25' ' ' PHE . 5.3 mmm180 -81.26 -39.11 25.79 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.145 . . . . 72.200000000000003 110.233 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.503 ' CE1' ' HB3' ' A' ' 24' ' ' ARG . 1.9 m-85 -130.41 66.86 79.26 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.597 1.185 . . . . 64.319999999999993 111.065 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 -31.91 5.85 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.52 1.8 . . . . 74.200000000000003 111.096 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 51.8 m-20 -87.42 11.73 13.89 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.474 1.109 . . . . 72.439999999999998 109.246 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.503 ' O ' HD13 ' A' ' 29' ' ' ILE . 1.6 mmt-85 -105.77 -175.94 2.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 75.129999999999995 110.324 179.891 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.679 HG23 ' CB ' ' A' ' 95' ' ' TYR . 37.4 mm -145.08 97.34 4.84 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 73.209999999999994 109.207 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.53 ' HA ' ' CD2' ' A' ' 50' ' ' LEU . 18.2 Cg_endo -75.06 139.63 24.36 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.502 1.79 . . . . 64.019999999999996 111.031 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.857 HG23 ' HB3' ' A' ' 105' ' ' LEU . 5.0 p -156.76 147.22 11.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 75.340000000000003 109.272 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.931 HG21 ' HD3' ' A' ' 6' ' ' LYS . 4.4 mm -111.11 105.76 19.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 65.239999999999995 109.295 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.581 ' HB2' ' CD1' ' A' ' 49' ' ' TYR . 0.5 OUTLIER -76.36 146.77 38.53 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 43.200000000000003 108.28 -179.969 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.683 ' HB3' HG23 ' A' ' 108' ' ' THR . 6.3 tt0 -135.42 168.82 18.5 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.572 1.17 . . . . 74.129999999999995 110.296 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.413 ' HD2' ' N ' ' A' ' 36' ' ' ALA . 0.0 OUTLIER -127.19 127.42 44.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 74.109999999999999 109.293 -179.975 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.458 ' HB3' ' HB2' ' A' ' 110' ' ' SER . . . -74.45 134.87 42.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.115 . . . . 61.539999999999999 109.289 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.447 ' CG ' ' N ' ' A' ' 38' ' ' LYS . 11.2 pt-20 -64.72 -52.25 58.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 72.099999999999994 110.312 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.447 ' N ' ' CG ' ' A' ' 37' ' ' GLU . 47.3 mttt -41.83 -36.6 1.07 Allowed 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.395 1.06 . . . . 70.129999999999995 109.294 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -54.62 169.97 0.18 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 61.219999999999999 109.998 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -123.43 13.7 9.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 65.120000000000005 109.337 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.59 HD11 ' CE1' ' A' ' 109' ' ' TYR . 0.1 OUTLIER -89.11 165.6 25.8 Favored Pre-proline 0 C--N 1.327 -0.402 0 O-C-N 124.469 1.105 . . . . 75.430000000000007 109.302 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.608 ' O ' HG21 ' A' ' 68' ' ' ILE . 18.2 Cg_endo -74.99 130.03 12.9 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.547 1.814 . . . . 64.400000000000006 110.977 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 22.3 tt0 -61.38 155.44 21.5 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.518 1.136 . . . . 74.430000000000007 110.27 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.643 HD13 ' O ' ' A' ' 46' ' ' LYS . 6.7 tt -80.71 158.46 4.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.542 1.151 . . . . 73.530000000000001 109.26 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.436 ' N ' HG12 ' A' ' 44' ' ' ILE . 0.9 OUTLIER -66.29 -46.84 75.6 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.528 1.143 . . . . 74.129999999999995 109.245 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.643 ' O ' HD13 ' A' ' 44' ' ' ILE . 0.0 OUTLIER -149.47 170.45 18.55 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.448 1.092 . . . . 72.310000000000002 109.253 -179.982 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.702 ' HB3' HG22 ' A' ' 32' ' ' ILE . 3.1 mtt180 -114.41 93.72 4.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 73.310000000000002 110.379 179.905 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.558 ' HE2' ' CZ ' ' A' ' 5' ' ' PHE . 0.0 OUTLIER -168.81 118.12 0.7 Allowed 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.499 1.124 . . . . 65.409999999999997 109.273 179.954 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.698 ' CE2' ' CD1' ' A' ' 64' ' ' ILE . 46.5 m-85 -141.03 122.26 14.79 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.555 1.159 . . . . 72.340000000000003 111.047 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.53 ' CD2' ' HA ' ' A' ' 30' ' ' PRO . 6.7 mt -110.26 76.75 1.0 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 74.329999999999998 109.302 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.631 HG21 ' HE2' ' A' ' 91' ' ' MET . 31.4 m -81.22 154.36 72.08 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 63.399999999999999 109.333 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.462 ' HD3' ' CB ' ' B' ' 630' ' ' ALA . 18.1 Cg_endo -74.96 173.98 13.57 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.394 1.734 . . . . 72.439999999999998 110.962 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -86.83 18.04 3.7 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.45 1.094 . . . . 72.450000000000003 109.312 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 47.3 m-20 -119.44 -37.89 3.09 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.542 1.151 . . . . 72.409999999999997 109.278 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.432 ' HG ' ' CB ' ' A' ' 59' ' ' GLN . 0.5 OUTLIER -58.76 137.02 57.89 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.56 1.163 . . . . 73.349999999999994 109.259 -179.949 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.49 HG22 ' CD1' ' A' ' 90' ' ' LEU . 1.4 p -96.83 -175.67 3.35 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.529 1.143 . . . . 33.539999999999999 110.413 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.668 ' O ' HG23 ' A' ' 61' ' ' VAL . 2.6 t -70.64 -40.54 77.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.403 1.064 . . . . 60.439999999999998 109.26 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -66.5 -32.75 82.6 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.514 1.134 . . . . 73.230000000000004 111.026 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.432 ' CB ' ' HG ' ' A' ' 55' ' ' LEU . 8.1 mt-30 -77.51 -24.0 50.15 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 0.748 . . . . 74.530000000000001 110.283 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.583 ' CZ ' HD11 ' A' ' 64' ' ' ILE . 36.5 t80 -77.13 -42.59 37.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 73.030000000000001 111.048 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.676 HG13 ' CG2' ' A' ' 76' ' ' ILE . 66.6 t -53.26 -34.45 22.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.506 1.129 . . . . 73.010000000000005 109.261 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.575 ' CE1' ' HD2' ' A' ' 66' ' ' LYS . 0.7 OUTLIER -57.74 -38.27 75.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 74.540000000000006 110.992 -179.97 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.653 HG11 ' HA ' ' B' ' 629' ' ' ILE . 64.3 t -74.72 -44.95 45.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 65.319999999999993 109.287 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.698 ' CD1' ' CE2' ' A' ' 49' ' ' TYR . 8.2 mm -60.38 -32.93 52.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.526 1.141 . . . . 74.049999999999997 109.334 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.431 ' CD ' ' HB3' ' A' ' 70' ' ' LEU . 5.5 tpp85 -82.32 -10.99 58.88 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.447 1.092 . . . . 63.25 110.286 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.575 ' HD2' ' CE1' ' A' ' 62' ' ' TYR . 4.6 mttp -86.57 -39.49 16.13 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.582 1.176 . . . . 71.450000000000003 109.316 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.42 ' NH1' ' OE1' ' B' ' 628' ' ' GLU . 0.8 OUTLIER -59.67 -41.23 90.15 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.507 1.129 . . . . 74.150000000000006 110.387 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.608 HG21 ' O ' ' A' ' 42' ' ' PRO . 3.9 pt -99.82 4.25 10.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 74.209999999999994 109.31 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.402 ' C ' ' O ' ' A' ' 68' ' ' ILE . 3.5 ptp 37.43 34.53 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 64.340000000000003 110.916 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.499 HD12 ' HD2' ' A' ' 71' ' ' PRO . 19.5 tp -51.0 139.24 23.33 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.468 1.105 . . . . 62.43 109.286 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.499 ' HD2' HD12 ' A' ' 70' ' ' LEU . 18.2 Cg_endo -75.1 171.45 18.29 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.531 1.806 . . . . 75.310000000000002 110.988 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -14.92 21.14 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.505 1.792 . . . . 73.310000000000002 111.047 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -71.45 -18.94 62.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.607 1.192 . . . . 75.109999999999999 110.307 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 2.9 mttm -109.54 -179.02 3.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.416 1.073 . . . . 74.239999999999995 109.317 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -136.5 -179.45 5.69 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.542 1.151 . . . . 54.009999999999998 109.278 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.707 HD11 ' CD1' ' A' ' 109' ' ' TYR . 1.3 tt -165.62 136.08 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.469 1.106 . . . . 71.129999999999995 109.298 -179.892 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.635 ' HB3' HD11 ' A' ' 84' ' ' LEU . 89.1 m-85 -135.25 133.01 38.52 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.527 1.142 . . . . 70.230000000000004 111.094 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.636 ' CG1' HG22 ' A' ' 61' ' ' VAL . 5.7 mm -84.25 123.54 39.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.42 1.075 . . . . 70.040000000000006 109.337 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -112.86 122.19 46.9 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.535 1.147 . . . . 63.119999999999997 110.968 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.556 HG13 ' O ' ' A' ' 80' ' ' VAL . 8.2 p -125.78 108.31 19.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.46 1.1 . . . . 75.209999999999994 109.28 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 4.2 m120 73.27 29.07 1.73 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.466 1.104 . . . . 74.420000000000002 109.358 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 70.43 13.56 7.47 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.487 1.117 . . . . 75.129999999999995 109.361 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.508 ' O ' ' CG2' ' A' ' 83' ' ' THR . 0.5 OUTLIER -126.47 112.33 15.46 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.452 1.095 . . . . 74.25 110.418 -179.97 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.635 HD11 ' HB3' ' A' ' 77' ' ' PHE . 0.5 OUTLIER -73.34 115.21 38.82 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.59 1.181 . . . . 64.219999999999999 109.241 -179.969 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 161.06 39.44 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.447 1.761 . . . . 73.140000000000001 111.022 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' PRO . . . . . 0.713 ' HD2' ' HB2' ' A' ' 89' ' ' ALA . 18.4 Cg_endo -75.08 -179.79 5.35 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.486 1.782 . . . . 70.439999999999998 110.995 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 2.7 p -82.16 -35.05 28.8 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.438 1.086 . . . . 62.409999999999997 110.443 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -80.97 6.02 14.6 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.533 1.146 . . . . 71.439999999999998 109.302 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 1.095 ' HB1' HD11 ' A' ' 94' ' ' ILE . . . -76.34 62.66 1.84 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 73.430000000000007 109.263 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.559 ' C ' ' O ' ' A' ' 89' ' ' ALA . 0.6 OUTLIER -26.73 114.89 0.06 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.556 1.16 . . . . 71.209999999999994 109.309 179.963 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 91' ' ' MET . . . . . 0.631 ' HE2' HG21 ' A' ' 51' ' ' VAL . 48.7 mmm -40.28 -27.77 0.05 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.57 1.169 . . . . 71.209999999999994 110.984 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 92' ' ' SER . . . . . 0.419 ' N ' ' O ' ' A' ' 90' ' ' LEU . 0.4 OUTLIER -66.64 -52.08 48.96 Favored 'General case' 0 C--N 1.323 -0.563 0 O-C-N 124.543 1.152 . . . . 61.219999999999999 109.962 -179.907 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.407 ' N ' ' O ' ' A' ' 90' ' ' LEU . . . -69.99 -8.27 47.69 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.56 1.163 . . . . 70.439999999999998 109.307 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 1.095 HD11 ' HB1' ' A' ' 89' ' ' ALA . 36.8 mm -92.44 -42.41 13.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.105 . . . . 61.530000000000001 109.297 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 95' ' ' TYR . . . . . 0.679 ' CB ' HG23 ' A' ' 29' ' ' ILE . 4.0 t80 -76.58 -4.54 43.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.115 . . . . 52.140000000000001 110.989 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 96' ' ' GLN . . . . . 0.442 ' O ' ' CG ' ' A' ' 96' ' ' GLN . 22.8 tp60 -104.26 -10.3 17.96 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.547 1.155 . . . . 73.329999999999998 110.242 -179.906 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 97' ' ' GLU . . . . . 0.408 ' HG3' ' CD2' ' A' ' 98' ' ' HIS . 5.8 pt-20 -121.22 -5.89 9.42 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.486 1.116 . . . . 70.129999999999995 110.287 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 98' ' ' HIS . . . . . 0.71 ' HB2' HD11 ' A' ' 105' ' ' LEU . 49.5 m170 -123.46 11.98 9.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.657 1.223 . . . . 62.030000000000001 109.606 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.482 ' HB3' ' O ' ' A' ' 95' ' ' TYR . 0.1 OUTLIER -67.09 155.45 38.68 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.537 1.148 . . . . 60.420000000000002 109.317 179.959 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 100' ' ' ASP . . . . . 0.422 ' O ' ' N ' ' A' ' 103' ' ' GLY . 1.3 t70 -130.63 178.21 6.8 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.425 1.078 . . . . 64.510000000000005 109.28 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 29.8 mtmm -47.06 -53.87 11.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.584 1.177 . . . . 74.239999999999995 109.265 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -61.62 -26.16 67.82 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.485 1.115 . . . . 52.350000000000001 109.312 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' GLY . . . . . 0.422 ' N ' ' O ' ' A' ' 100' ' ' ASP . . . 93.88 -39.39 2.94 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.519 1.137 . . . . 42.140000000000001 110.976 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 104' ' ' PHE . . . . . 0.553 ' O ' ' CE2' ' A' ' 106' ' ' TYR . 12.6 m-85 -57.36 122.18 11.96 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.499 0.764 . . . . 73.230000000000004 111.003 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.857 ' HB3' HG23 ' A' ' 31' ' ' VAL . 0.2 OUTLIER -61.75 163.48 7.32 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.435 1.084 . . . . 74.420000000000002 109.268 -179.95 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 106' ' ' TYR . . . . . 0.553 ' CE2' ' O ' ' A' ' 104' ' ' PHE . 81.5 m-85 -145.64 115.33 7.27 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.56 1.163 . . . . 64.400000000000006 110.983 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.711 HG23 ' N ' ' A' ' 108' ' ' THR . 1.4 m -122.42 -178.29 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.455 1.097 . . . . 71.319999999999993 109.316 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 108' ' ' THR . . . . . 0.711 ' N ' HG23 ' A' ' 107' ' ' VAL . 1.2 m -153.22 106.12 2.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 74.209999999999994 110.372 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 109' ' ' TYR . . . . . 0.707 ' CD1' HD11 ' A' ' 76' ' ' ILE . 11.4 p90 -94.87 122.9 37.98 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.478 1.112 . . . . 63.539999999999999 110.974 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 110' ' ' SER . . . . . 0.458 ' HB2' ' HB3' ' A' ' 36' ' ' ALA . 15.2 t -134.46 155.14 50.87 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.538 1.149 . . . . 73.5 109.998 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -58.78 -40.64 95.28 Favored Glycine 0 CA--C 1.528 0.9 0 O-C-N 124.415 1.072 . . . . 54.340000000000003 110.935 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 25.9 pm0 -94.26 151.89 19.1 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.454 0.738 . . . . 65.25 110.326 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 60.2 t-20 -93.56 38.62 1.06 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 71.129999999999995 109.328 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 114' ' ' THR . . . . . 0.707 HG22 ' H ' ' A' ' 115' ' ' PHE . 7.0 m -155.84 -174.59 5.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.146 . . . . 73.219999999999999 110.41 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 115' ' ' PHE . . . . . 0.707 ' H ' HG22 ' A' ' 114' ' ' THR . 4.0 p90 -115.18 98.25 6.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.146 . . . . 74.329999999999998 110.996 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.921 0 O-C-N 124.574 1.171 . . . . 63.520000000000003 111.047 -179.959 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 597' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.029 0 N-CA-C 110.964 -0.854 . . . . 75.340000000000003 110.964 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 598' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -172.44 1.25 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.477 1.778 . . . . 62.549999999999997 110.987 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 599' ' ' HIS . . . . . . . . . . . . . 5.5 m170 -80.8 155.36 26.68 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.516 1.135 . . . . 61.329999999999998 109.618 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 600' ' ' MET . . . . . 0.416 ' HG2' ' N ' ' B' ' 601' ' ' ILE . 4.6 ttt -41.07 159.06 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.541 1.151 . . . . 71.310000000000002 111.005 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 601' ' ' ILE . . . . . 0.536 HG22 ' H ' ' B' ' 602' ' ' SER . 5.1 mm -134.25 171.04 18.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 72.439999999999998 109.314 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 602' ' ' SER . . . . . 0.536 ' H ' HG22 ' B' ' 601' ' ' ILE . 1.1 t -45.19 169.43 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 55.439999999999998 110.01 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 603' ' ' GLY . . . . . . . . . . . . . . . -70.51 125.88 14.57 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.536 1.148 . . . . 71.310000000000002 111.069 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 604' ' ' LEU . . . . . . . . . . . . . 6.1 tp -119.46 149.92 41.07 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.47 0.747 . . . . 63.329999999999998 109.303 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 605' ' ' SER . . . . . . . . . . . . . 15.0 p -86.39 119.35 26.57 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.415 1.072 . . . . 73.049999999999997 109.973 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 606' ' ' VAL . . . . . 0.582 HG22 ' H ' ' B' ' 607' ' ' ILE . 7.3 p -104.64 173.12 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.515 1.135 . . . . 74.109999999999999 109.315 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 607' ' ' ILE . . . . . 0.582 ' H ' HG22 ' B' ' 606' ' ' VAL . 14.2 mm -84.59 152.07 3.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.551 1.157 . . . . 71.450000000000003 109.308 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 608' ' ' LYS . . . . . . . . . . . . . 8.9 pttm -105.99 -19.54 13.7 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.522 1.139 . . . . 71.519999999999996 109.312 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 609' ' ' GLN . . . . . 0.452 ' CG ' ' HD3' ' A' ' 10' ' ' PRO . 82.4 mm-40 -49.4 178.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 75.510000000000005 110.203 -179.904 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 610' ' ' GLU . . . . . . . . . . . . . 24.8 mm-40 -98.19 172.83 7.33 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.443 1.09 . . . . 74.310000000000002 110.295 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 611' ' ' VAL . . . . . 0.728 HG13 ' OE1' ' A' ' 8' ' ' GLU . 50.4 t -130.59 133.1 64.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 74.530000000000001 109.343 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 612' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -115.46 -62.6 1.57 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.464 1.102 . . . . 72.219999999999999 110.325 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 613' ' ' ARG . . . . . 0.418 ' HB3' ' NH1' ' B' ' 613' ' ' ARG . 4.9 ptp180 -120.04 -30.27 4.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.42 1.075 . . . . 71.310000000000002 110.24 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 614' ' ' LEU . . . . . 0.83 HD12 ' CB ' ' A' ' 8' ' ' GLU . 2.9 mt -86.49 -157.38 0.35 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.462 1.101 . . . . 75.010000000000005 109.334 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 615' ' ' GLY . . . . . 0.408 ' CA ' ' OE2' ' B' ' 620' ' ' GLU . . . -171.18 -102.38 0.16 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.445 1.091 . . . . 55.229999999999997 110.941 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 616' ' ' ASN . . . . . . . . . . . . . 7.4 t-20 -81.9 -79.65 0.17 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.405 0.709 . . . . 73.319999999999993 109.29 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 617' ' ' ASP . . . . . 0.4 ' O ' ' C ' ' B' ' 618' ' ' VAL . 48.1 m-20 -71.64 133.43 45.69 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.15 . . . . 64.209999999999994 109.316 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 618' ' ' VAL . . . . . 0.999 HG12 ' CZ ' ' A' ' 9' ' ' TYR . 0.2 OUTLIER -40.13 -38.84 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 73.239999999999995 109.339 -179.961 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 619' ' ' PHE . . . . . 0.529 ' O ' ' CG ' ' B' ' 620' ' ' GLU . 4.7 m-30 -82.76 -84.48 0.12 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.55 1.156 . . . . 72.230000000000004 111.009 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 620' ' ' GLU . . . . . 0.529 ' CG ' ' O ' ' B' ' 619' ' ' PHE . 5.6 pt-20 49.88 20.95 0.62 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.542 1.151 . . . . 53.420000000000002 110.324 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 621' ' ' TRP . . . . . 0.643 ' CD1' ' O ' ' B' ' 622' ' ' GLU . 0.6 OUTLIER -138.87 168.5 19.68 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 108.079 -1.082 . . . . 73.319999999999993 108.079 179.924 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 622' ' ' GLU . . . . . 0.643 ' O ' ' CD1' ' B' ' 621' ' ' TRP . 5.4 pm0 -53.35 -162.64 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.444 1.09 . . . . 64.150000000000006 110.299 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 623' ' ' ASP . . . . . 0.419 ' C ' ' O ' ' B' ' 622' ' ' GLU . 2.3 m-20 38.89 55.28 2.03 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.424 1.077 . . . . 72.319999999999993 109.266 -179.924 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 624' ' ' ASP . . . . . 0.447 ' OD2' ' N ' ' B' ' 625' ' ' GLU . 2.2 t70 -59.54 -78.6 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.548 1.155 . . . . 63.210000000000001 109.275 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 625' ' ' GLU . . . . . 0.465 ' O ' ' C ' ' B' ' 626' ' ' SER . 1.4 pp20? -112.35 -7.0 14.0 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.465 1.103 . . . . 75.099999999999994 110.282 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 626' ' ' SER . . . . . 0.465 ' C ' ' O ' ' B' ' 625' ' ' GLU . 41.0 t -33.85 148.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 72.439999999999998 110.017 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 627' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -83.19 8.35 13.48 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.474 1.109 . . . . 61.450000000000003 109.379 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 628' ' ' GLU . . . . . 0.42 ' OE1' ' NH1' ' A' ' 67' ' ' ARG . 0.0 OUTLIER -56.4 -31.08 63.52 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.475 1.11 . . . . 70.040000000000006 110.371 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 629' ' ' ILE . . . . . 0.653 ' HA ' HG11 ' A' ' 63' ' ' VAL . 0.8 OUTLIER -93.33 21.81 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.431 1.082 . . . . 61.409999999999997 109.27 179.955 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 630' ' ' ALA . . . . . 0.574 ' HB2' HG12 ' A' ' 51' ' ' VAL . . . . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 73.25 109.311 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 0' ' ' HIS . . . . . . . . . . . . . 8.4 p-80 . . . . . 0 N--CA 1.454 -0.251 0 N-CA-C 109.602 -0.518 . . . . 72.510000000000005 109.602 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.9 ptp -108.55 -173.5 2.29 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.513 1.133 . . . . 71.219999999999999 110.976 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 6.1 mtmm -137.14 -47.92 0.59 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.576 1.173 . . . . 64.099999999999994 109.152 -179.878 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 95.4 p -75.56 135.68 40.57 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.478 1.111 . . . . 61.210000000000001 110.057 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 2.1 p -127.49 -79.52 0.59 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 74.439999999999998 110.391 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.609 ' CZ ' ' OH ' ' A' ' 9' ' ' TYR . 20.2 t80 -62.67 -12.7 25.09 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 75.109999999999999 110.997 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 12.0 tttt -100.48 -13.8 18.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.566 1.166 . . . . 72.109999999999999 109.302 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 28.8 t -103.63 5.29 36.37 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.528 1.143 . . . . 63.350000000000001 110.039 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.598 ' OE1' HG22 ' B' ' 611' ' ' VAL . 18.9 tp10 -84.13 -18.4 36.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.412 1.07 . . . . 75.049999999999997 110.232 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.609 ' OH ' ' CZ ' ' A' ' 5' ' ' PHE . 0.3 OUTLIER -159.26 171.33 7.51 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.565 1.166 . . . . 62.130000000000003 110.976 179.986 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.435 ' N ' ' HG2' ' B' ' 609' ' ' GLN . 18.2 Cg_endo -75.01 -177.17 3.28 Favored 'Trans proline' 0 C--N 1.361 1.232 0 O-C-N 124.421 1.748 . . . . 44.439999999999998 111.033 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.53 ' HA ' ' CD ' ' A' ' 14' ' ' ARG . 1.0 OUTLIER -73.27 -22.85 60.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.41 1.069 . . . . 73.120000000000005 110.987 -179.95 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.48 ' HA ' ' CD ' ' A' ' 15' ' ' LYS . 40.4 mt-10 -75.57 -4.09 37.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.57 1.169 . . . . 72.25 110.351 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.542 ' HA ' ' HZ3' ' A' ' 13' ' ' LYS . 0.1 OUTLIER -86.17 -64.66 1.12 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.411 1.069 . . . . 72.310000000000002 109.29 -179.971 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.53 ' CD ' ' HA ' ' A' ' 11' ' ' PHE . 0.0 OUTLIER -57.83 -25.35 60.52 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.546 1.154 . . . . 72.400000000000006 110.348 179.97 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.48 ' CD ' ' HA ' ' A' ' 12' ' ' GLU . 34.0 pttt -76.55 -40.3 50.21 Favored 'General case' 0 C--N 1.323 -0.566 0 O-C-N 124.512 1.132 . . . . 63.020000000000003 109.27 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -74.81 -27.92 60.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.57 1.169 . . . . 52.130000000000003 109.352 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 36.7 tp10 -71.7 -42.59 67.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 64.25 110.261 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.52 ' HB3' ' CD1' ' A' ' 104' ' ' PHE . 60.2 p -73.58 -8.61 56.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.148 . . . . 73.400000000000006 110.027 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -81.45 -28.41 34.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 72.310000000000002 110.285 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 23.0 ptt180 -101.81 -29.8 11.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.412 1.07 . . . . 74.030000000000001 110.275 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 6.7 mt -62.34 -20.89 25.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.112 . . . . 70.129999999999995 109.251 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -71.98 -20.11 61.78 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.486 1.116 . . . . 53.32 109.263 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -101.74 -36.56 8.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.585 1.178 . . . . 74.040000000000006 109.297 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.506 ' HB3' ' CD2' ' A' ' 25' ' ' PHE . 0.2 OUTLIER -71.01 -53.1 15.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.459 1.099 . . . . 72.200000000000003 110.224 -179.929 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.506 ' CD2' ' HB3' ' A' ' 24' ' ' ARG . 4.7 m-85 -136.32 81.84 36.28 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.477 1.111 . . . . 64.319999999999993 110.995 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 -8.18 19.91 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.392 1.733 . . . . 74.200000000000003 110.91 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 7.5 p30 -107.42 27.29 9.25 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.421 1.075 . . . . 72.439999999999998 109.285 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.53 ' HB3' HD11 ' A' ' 50' ' ' LEU . 19.8 mmt-85 -113.85 178.1 4.4 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.477 1.111 . . . . 75.129999999999995 110.232 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.574 HG23 ' CB ' ' A' ' 95' ' ' TYR . 37.4 mm -147.64 93.02 4.65 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.351 1.032 . . . . 73.209999999999994 109.292 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.584 ' HD2' ' CE2' ' A' ' 95' ' ' TYR . 18.4 Cg_endo -75.04 119.72 5.76 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.554 1.818 . . . . 64.019999999999996 110.982 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.814 HG23 ' HB3' ' A' ' 105' ' ' LEU . 3.8 p -137.6 148.5 25.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.456 1.097 . . . . 75.340000000000003 109.39 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.554 HG23 ' O ' ' A' ' 47' ' ' ARG . 40.4 mm -113.1 105.53 18.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.142 . . . . 65.239999999999995 109.263 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.45 ' HB3' ' CE1' ' A' ' 49' ' ' TYR . 2.6 t -93.31 128.01 39.15 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.482 1.114 . . . . 43.200000000000003 108.3 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.458 ' O ' ' CD1' ' A' ' 109' ' ' TYR . 5.8 tp10 -125.77 166.04 17.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 74.129999999999995 110.308 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.569 ' HG2' ' CE2' ' A' ' 109' ' ' TYR . 0.0 OUTLIER -103.99 127.61 51.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.567 1.167 . . . . 74.109999999999999 109.292 179.957 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.419 ' N ' ' HD2' ' A' ' 35' ' ' LYS . . . -70.91 138.42 50.1 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.57 1.169 . . . . 61.539999999999999 109.274 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.453 ' CG ' ' N ' ' A' ' 38' ' ' LYS . 11.7 pt-20 -62.08 -49.28 76.57 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.537 1.148 . . . . 72.099999999999994 110.352 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.453 ' N ' ' CG ' ' A' ' 37' ' ' GLU . 0.1 OUTLIER -44.92 -50.93 10.21 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.543 1.152 . . . . 70.129999999999995 109.274 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -42.69 164.03 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.549 1.155 . . . . 61.219999999999999 110.039 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 68.3 m-20 -117.54 1.62 12.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.412 1.07 . . . . 65.120000000000005 109.313 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.601 HD11 ' CE2' ' A' ' 109' ' ' TYR . 0.1 OUTLIER -75.26 166.2 47.39 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.137 . . . . 75.430000000000007 109.35 179.916 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.433 ' O ' HG21 ' A' ' 68' ' ' ILE . 18.3 Cg_endo -75.0 127.82 10.99 Favored 'Trans proline' 0 C--N 1.358 1.077 0 O-C-N 124.528 1.804 . . . . 64.400000000000006 110.942 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 7.7 tt0 -62.4 156.37 22.78 Favored 'General case' 0 C--N 1.327 -0.404 0 O-C-N 124.415 1.072 . . . . 74.430000000000007 110.301 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.496 HD12 ' OH ' ' A' ' 49' ' ' TYR . 16.5 tt -85.4 157.94 3.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.563 1.164 . . . . 73.530000000000001 109.284 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -62.22 -48.41 80.12 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.559 1.162 . . . . 74.129999999999995 109.263 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -143.3 165.49 27.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.566 1.166 . . . . 72.310000000000002 109.266 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.554 ' O ' HG23 ' A' ' 32' ' ' ILE . 3.5 ptm180 -111.46 94.88 5.19 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.636 1.21 . . . . 73.310000000000002 110.361 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.546 ' HD3' ' CE1' ' A' ' 5' ' ' PHE . 15.0 tptp -166.65 127.89 1.7 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 65.409999999999997 109.303 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.698 ' CE2' ' CD1' ' A' ' 64' ' ' ILE . 44.8 m-85 -149.43 104.14 3.35 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.465 1.103 . . . . 72.340000000000003 110.996 -179.899 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.53 HD11 ' HB3' ' A' ' 28' ' ' ARG . 17.9 tp -98.6 77.26 2.28 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.504 1.127 . . . . 74.329999999999998 109.318 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 1.027 HG12 ' HB2' ' B' ' 630' ' ' ALA . 30.2 m -82.35 157.7 67.49 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.463 1.102 . . . . 63.399999999999999 109.245 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.06 176.76 9.51 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.477 1.777 . . . . 72.439999999999998 110.977 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -89.65 18.31 5.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 72.450000000000003 109.281 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -117.42 -38.05 3.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.449 1.093 . . . . 72.409999999999997 109.361 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.444 HD21 ' HA ' ' A' ' 60' ' ' PHE . 0.4 OUTLIER -56.43 135.58 54.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 73.349999999999994 109.276 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 56' ' ' THR . . . . . 1.074 HG22 ' CD2' ' A' ' 90' ' ' LEU . 10.6 p -95.18 169.67 9.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 33.539999999999999 110.406 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.418 ' HB ' ' O ' ' A' ' 86' ' ' PRO . 2.4 t -59.83 -47.85 89.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 60.439999999999998 109.296 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -61.27 -30.96 75.41 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.442 1.089 . . . . 73.230000000000004 110.982 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 9.2 mt-30 -82.35 -21.12 36.11 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.519 0.776 . . . . 74.530000000000001 110.272 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.444 ' HA ' HD21 ' A' ' 55' ' ' LEU . 20.7 t80 -76.14 -41.98 48.29 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.501 1.126 . . . . 73.030000000000001 110.952 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.864 HG13 ' CG2' ' A' ' 76' ' ' ILE . 48.0 t -51.53 -38.05 20.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 73.010000000000005 109.311 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.522 ' CZ ' ' HE2' ' A' ' 66' ' ' LYS . 0.7 OUTLIER -55.19 -38.85 68.89 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.536 1.148 . . . . 74.540000000000006 110.956 -179.977 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.746 HG21 ' HA ' ' B' ' 630' ' ' ALA . 64.1 t -65.0 -38.14 82.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.123 . . . . 65.319999999999993 109.312 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.698 ' CD1' ' CE2' ' A' ' 49' ' ' TYR . 6.4 mm -69.04 -39.8 80.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.123 . . . . 74.049999999999997 109.361 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.458 ' CD ' ' HB3' ' A' ' 70' ' ' LEU . 5.9 tpp85 -72.84 -3.78 27.65 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.424 1.077 . . . . 63.25 110.387 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.522 ' HE2' ' CZ ' ' A' ' 62' ' ' TYR . 0.7 OUTLIER -94.14 -42.73 8.83 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.395 1.059 . . . . 71.450000000000003 109.25 -179.91 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -60.55 -36.95 79.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.582 1.176 . . . . 74.150000000000006 110.297 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.545 HD11 ' CD1' ' A' ' 76' ' ' ILE . 2.7 pt -105.57 4.03 10.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.557 1.161 . . . . 74.209999999999994 109.348 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.405 ' C ' ' O ' ' A' ' 68' ' ' ILE . 4.9 ptp 37.47 33.55 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.142 . . . . 64.340000000000003 111.006 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.489 HD22 HD12 ' A' ' 68' ' ' ILE . 5.4 tp -54.24 140.48 53.96 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 62.43 109.288 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.95 170.93 19.31 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.57 1.826 . . . . 75.310000000000002 111.026 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 -2.15 12.16 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.554 1.818 . . . . 73.310000000000002 111.051 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -87.96 2.13 52.44 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.504 1.128 . . . . 75.109999999999999 110.311 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 11.1 mttm -121.38 -179.09 3.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 74.239999999999995 109.284 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -141.67 149.61 40.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 54.009999999999998 109.272 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.864 ' CG2' HG13 ' A' ' 61' ' ' VAL . 2.6 tt -141.83 124.91 15.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.576 1.173 . . . . 71.129999999999995 109.326 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.831 ' HB3' HD21 ' A' ' 84' ' ' LEU . 99.0 m-85 -119.87 134.32 55.28 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.553 1.158 . . . . 70.230000000000004 111.013 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.658 ' CG2' HG21 ' A' ' 107' ' ' VAL . 3.2 mm -86.85 114.22 25.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 70.040000000000006 109.347 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -104.47 118.74 37.35 Favored 'General case' 0 C--N 1.323 -0.556 0 O-C-N 124.6 1.188 . . . . 63.119999999999997 110.974 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.778 HG22 ' OD1' ' A' ' 81' ' ' ASN . 1.7 p -125.9 105.22 14.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.409 1.068 . . . . 75.209999999999994 109.312 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' ASN . . . . . 0.778 ' OD1' HG22 ' A' ' 80' ' ' VAL . 1.8 m120 74.71 31.87 0.91 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.458 1.099 . . . . 74.420000000000002 109.297 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 69.43 13.16 8.4 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.494 1.121 . . . . 75.129999999999995 109.285 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.67 HG22 ' O ' ' A' ' 80' ' ' VAL . 0.6 OUTLIER -119.5 141.58 49.06 Favored 'General case' 0 C--N 1.327 -0.408 0 O-C-N 124.526 1.141 . . . . 74.25 110.387 179.951 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.831 HD21 ' HB3' ' A' ' 77' ' ' PHE . 1.3 mt -103.59 110.33 63.66 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 64.219999999999999 109.25 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.12 156.83 42.51 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.52 1.8 . . . . 73.140000000000001 111.029 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' PRO . . . . . 0.68 ' HD2' ' HB2' ' A' ' 89' ' ' ALA . 18.3 Cg_endo -75.0 175.59 11.04 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.491 1.785 . . . . 70.439999999999998 110.99 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 20.8 p -77.43 -35.36 54.14 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.478 1.111 . . . . 62.409999999999997 110.371 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -77.19 1.48 18.27 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.542 1.152 . . . . 71.439999999999998 109.306 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.915 ' HB1' HD11 ' A' ' 94' ' ' ILE . . . -75.92 61.21 1.45 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 73.430000000000007 109.31 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 1.074 ' CD2' HG22 ' A' ' 56' ' ' THR . 20.8 mt -27.65 118.79 0.1 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.55 1.156 . . . . 71.209999999999994 109.273 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 91' ' ' MET . . . . . 0.589 ' HE2' HG21 ' A' ' 51' ' ' VAL . 48.7 mmm -39.68 -28.01 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.148 . . . . 71.209999999999994 111.004 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 92' ' ' SER . . . . . 0.437 ' N ' ' O ' ' A' ' 90' ' ' LEU . 18.0 t -65.56 -49.28 69.47 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.464 1.102 . . . . 61.219999999999999 110.015 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.458 ' N ' ' O ' ' A' ' 90' ' ' LEU . . . -73.21 -8.3 55.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 70.439999999999998 109.286 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.915 HD11 ' HB1' ' A' ' 89' ' ' ALA . 13.2 mm -88.18 -52.1 11.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.128 . . . . 61.530000000000001 109.217 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 95' ' ' TYR . . . . . 0.75 ' CD2' HD23 ' A' ' 105' ' ' LEU . 5.2 t80 -69.28 -6.33 28.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.552 1.157 . . . . 52.140000000000001 110.952 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 96' ' ' GLN . . . . . 0.435 ' O ' ' CG ' ' A' ' 96' ' ' GLN . 3.7 tt0 -102.82 -11.68 18.13 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.496 1.122 . . . . 73.329999999999998 110.321 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -113.59 -18.24 11.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 70.129999999999995 110.3 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' HIS . . . . . 0.516 ' HD2' HG23 ' A' ' 94' ' ' ILE . 60.0 m-70 -119.65 19.15 12.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 62.030000000000001 109.572 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.512 ' HB3' ' O ' ' A' ' 95' ' ' TYR . 0.1 OUTLIER -58.75 158.11 8.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.117 . . . . 60.420000000000002 109.316 179.928 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 100' ' ' ASP . . . . . 0.436 ' O ' ' N ' ' A' ' 103' ' ' GLY . 0.3 OUTLIER -127.76 170.57 12.6 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.424 1.078 . . . . 64.510000000000005 109.303 179.933 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 30.9 mtmt -42.75 -65.68 0.45 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 74.239999999999995 109.292 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -52.81 -28.45 22.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.444 1.09 . . . . 52.350000000000001 109.359 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 103' ' ' GLY . . . . . 0.436 ' N ' ' O ' ' A' ' 100' ' ' ASP . . . 104.98 -38.6 3.21 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.588 1.18 . . . . 42.140000000000001 110.934 179.882 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 104' ' ' PHE . . . . . 0.52 ' CD1' ' HB3' ' A' ' 18' ' ' SER . 2.9 m-85 -54.96 144.68 22.38 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.517 0.775 . . . . 73.230000000000004 111.048 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.814 ' HB3' HG23 ' A' ' 31' ' ' VAL . 0.2 OUTLIER -85.89 155.34 20.98 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.568 1.167 . . . . 74.420000000000002 109.248 -179.961 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 106' ' ' TYR . . . . . 0.515 ' OH ' ' CZ ' ' A' ' 14' ' ' ARG . 59.9 m-85 -146.21 109.13 4.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.55 1.156 . . . . 64.400000000000006 111.017 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.727 HG23 ' N ' ' A' ' 108' ' ' THR . 1.3 m -119.54 -176.35 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.11 . . . . 71.319999999999993 109.295 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 108' ' ' THR . . . . . 0.727 ' N ' HG23 ' A' ' 107' ' ' VAL . 1.2 m -153.28 113.52 3.97 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.552 1.157 . . . . 74.209999999999994 110.337 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 109' ' ' TYR . . . . . 0.767 ' CD2' HD11 ' A' ' 76' ' ' ILE . 29.9 p90 -94.41 131.73 39.78 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.465 1.103 . . . . 63.539999999999999 111.008 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 110' ' ' SER . . . . . 0.416 ' HB3' ' HB3' ' A' ' 36' ' ' ALA . 0.1 OUTLIER -132.6 166.5 21.97 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.431 1.082 . . . . 73.5 109.981 179.974 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 111' ' ' GLY . . . . . 0.445 ' HA3' ' CG2' ' A' ' 41' ' ' ILE . . . -83.95 2.94 86.96 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.581 1.176 . . . . 54.340000000000003 111.024 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -121.39 156.03 33.53 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.436 0.727 . . . . 65.25 110.35 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 113' ' ' ASN . . . . . 0.552 ' ND2' HD13 ' A' ' 84' ' ' LEU . 16.2 t-20 -103.42 -1.22 28.9 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.562 1.164 . . . . 71.129999999999995 109.241 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 114' ' ' THR . . . . . 0.536 HG22 ' H ' ' A' ' 115' ' ' PHE . 4.2 m -93.59 178.5 5.68 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.509 1.131 . . . . 73.219999999999999 110.446 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 115' ' ' PHE . . . . . 0.536 ' H ' HG22 ' A' ' 114' ' ' THR . 1.3 p90 -125.55 97.91 5.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 74.329999999999998 111.0 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.051 0 O-C-N 124.44 1.087 . . . . 63.520000000000003 110.997 179.957 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 597' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.973 0 N-CA-C 110.978 -0.849 . . . . 75.340000000000003 110.978 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 598' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 151.31 39.6 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.46 1.769 . . . . 62.549999999999997 111.018 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 599' ' ' HIS . . . . . . . . . . . . . 53.9 p-80 -149.54 160.32 43.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.423 1.077 . . . . 61.329999999999998 109.541 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 600' ' ' MET . . . . . . . . . . . . . 1.9 ptt? -144.06 138.29 28.19 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.51 1.131 . . . . 71.310000000000002 111.063 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 601' ' ' ILE . . . . . 0.422 HG22 ' N ' ' B' ' 602' ' ' SER . 23.9 mm -142.41 161.57 19.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.54 1.15 . . . . 72.439999999999998 109.298 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 602' ' ' SER . . . . . 0.422 ' N ' HG22 ' B' ' 601' ' ' ILE . 1.8 m -155.99 167.91 28.91 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.461 1.101 . . . . 55.439999999999998 109.997 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 603' ' ' GLY . . . . . . . . . . . . . . . -130.16 56.62 0.74 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.472 1.107 . . . . 71.310000000000002 110.957 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 604' ' ' LEU . . . . . . . . . . . . . 1.2 pt? -134.63 -173.98 3.45 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.55 0.794 . . . . 63.329999999999998 109.349 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 605' ' ' SER . . . . . 0.422 ' O ' HG23 ' B' ' 606' ' ' VAL . 2.2 m -76.42 62.09 1.8 Allowed 'General case' 0 C--N 1.323 -0.565 0 O-C-N 124.46 1.1 . . . . 73.049999999999997 110.09 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 606' ' ' VAL . . . . . 0.465 HG12 ' O ' ' B' ' 607' ' ' ILE . 36.7 t -152.36 156.47 5.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 74.109999999999999 109.28 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 607' ' ' ILE . . . . . 0.703 HG22 ' H ' ' B' ' 608' ' ' LYS . 0.7 OUTLIER -96.3 179.1 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.427 1.08 . . . . 71.450000000000003 109.22 -179.923 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 608' ' ' LYS . . . . . 0.703 ' H ' HG22 ' B' ' 607' ' ' ILE . 0.0 OUTLIER -129.84 103.68 6.95 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.394 1.059 . . . . 71.519999999999996 109.279 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 609' ' ' GLN . . . . . 0.435 ' HG2' ' N ' ' A' ' 10' ' ' PRO . 1.9 mp0 -114.85 121.9 44.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.585 1.178 . . . . 75.510000000000005 110.303 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 610' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -64.29 173.36 2.05 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.554 1.159 . . . . 74.310000000000002 110.324 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 611' ' ' VAL . . . . . 0.598 HG22 ' OE1' ' A' ' 8' ' ' GLU . 41.8 t -133.56 133.61 57.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.451 1.094 . . . . 74.530000000000001 109.36 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 612' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -113.67 -93.58 0.47 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.579 1.174 . . . . 72.219999999999999 110.29 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 613' ' ' ARG . . . . . 0.756 ' HG2' HD23 ' B' ' 614' ' ' LEU . 12.7 ptp180 -115.05 -32.26 5.78 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.481 1.113 . . . . 71.310000000000002 110.287 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 614' ' ' LEU . . . . . 0.864 HD22 ' CZ3' ' B' ' 621' ' ' TRP . 0.4 OUTLIER -101.25 -171.79 2.05 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.622 1.202 . . . . 75.010000000000005 109.344 179.932 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 615' ' ' GLY . . . . . 0.461 ' HA2' ' CG ' ' A' ' 8' ' ' GLU . . . 162.38 -69.04 0.23 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.484 1.115 . . . . 55.229999999999997 111.046 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 616' ' ' ASN . . . . . 0.411 ' OD1' ' N ' ' B' ' 616' ' ' ASN . 7.1 p-10 -40.39 -50.95 2.86 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.5 0.765 . . . . 73.319999999999993 109.306 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 617' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -145.79 172.11 13.8 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.48 1.113 . . . . 64.209999999999994 109.35 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 618' ' ' VAL . . . . . 0.515 HG12 ' CZ ' ' A' ' 5' ' ' PHE . 3.6 m -66.39 -34.67 71.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.552 1.158 . . . . 73.239999999999995 109.304 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 619' ' ' PHE . . . . . 0.497 ' HZ ' ' HZ2' ' A' ' 48' ' ' LYS . 17.0 m-30 -117.2 86.59 2.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 72.230000000000004 111.042 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 620' ' ' GLU . . . . . . . . . . . . . 2.4 pp20? -118.87 -6.96 10.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 53.420000000000002 110.333 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 621' ' ' TRP . . . . . 0.864 ' CZ3' HD22 ' B' ' 614' ' ' LEU . 2.8 p90 -108.85 164.92 11.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.556 1.16 . . . . 73.319999999999993 108.02 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 622' ' ' GLU . . . . . 0.569 ' O ' ' CD1' ' B' ' 621' ' ' TRP . 20.3 tp10 -42.0 157.73 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.458 1.099 . . . . 64.150000000000006 110.279 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 623' ' ' ASP . . . . . 0.413 ' N ' ' HG3' ' B' ' 622' ' ' GLU . 11.5 m-20 61.1 61.62 1.56 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.553 1.158 . . . . 72.319999999999993 109.374 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 624' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -56.4 -79.5 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 63.210000000000001 109.28 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 625' ' ' GLU . . . . . 0.405 ' O ' ' C ' ' B' ' 626' ' ' SER . 4.0 pt-20 -98.24 7.52 46.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.42 1.075 . . . . 75.099999999999994 110.307 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 626' ' ' SER . . . . . 0.405 ' C ' ' O ' ' B' ' 625' ' ' GLU . 0.7 OUTLIER -37.8 154.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.426 1.079 . . . . 72.439999999999998 110.079 179.952 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 627' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -89.06 15.7 8.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.113 . . . . 61.450000000000003 109.303 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 628' ' ' GLU . . . . . 0.419 ' O ' HG13 ' A' ' 63' ' ' VAL . 13.6 pt-20 -60.34 -28.06 67.86 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.511 1.132 . . . . 70.040000000000006 110.258 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 629' ' ' ILE . . . . . 0.607 ' C ' HG11 ' A' ' 63' ' ' VAL . 0.8 OUTLIER -94.65 14.26 2.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 O-C-N 124.577 1.173 . . . . 61.409999999999997 109.312 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 630' ' ' ALA . . . . . 1.027 ' HB2' HG12 ' A' ' 51' ' ' VAL . . . . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.402 1.064 . . . . 73.25 109.357 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 0' ' ' HIS . . . . . . . . . . . . . 89.1 m-70 . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 109.516 -0.55 . . . . 72.510000000000005 109.516 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.7 ptp -152.85 -176.81 5.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.599 1.187 . . . . 71.219999999999999 111.002 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 3.4 mtpm? -132.42 -46.22 0.9 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.527 1.142 . . . . 64.099999999999994 109.304 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.431 ' HA ' ' NH1' ' A' ' 47' ' ' ARG . 96.3 p -80.95 137.37 36.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.424 1.077 . . . . 61.210000000000001 109.91 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.453 ' OG1' ' N ' ' A' ' 5' ' ' PHE . 71.0 p -120.03 -75.33 0.59 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.563 1.165 . . . . 74.439999999999998 110.394 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.603 ' CE1' ' OH ' ' A' ' 9' ' ' TYR . 8.5 t80 -60.85 -16.63 43.45 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.55 1.156 . . . . 75.109999999999999 110.993 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.427 ' CB ' ' HD3' ' A' ' 47' ' ' ARG . 27.8 ttpp -96.77 -24.47 15.92 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.532 1.145 . . . . 72.109999999999999 109.286 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 1.8 t -97.68 3.62 50.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 63.350000000000001 109.941 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.409 ' OE2' ' HA ' ' A' ' 8' ' ' GLU . 1.6 mm-40 -78.01 -10.69 59.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.148 . . . . 75.049999999999997 110.282 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.831 ' CE2' HG12 ' B' ' 618' ' ' VAL . 0.8 OUTLIER -170.12 167.68 4.71 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.495 1.122 . . . . 62.130000000000003 111.005 -179.985 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 172.14 16.93 Favored 'Trans proline' 0 C--N 1.361 1.237 0 O-C-N 124.444 1.76 . . . . 44.439999999999998 111.009 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.577 ' CE2' ' HB3' ' A' ' 102' ' ' ASP . 0.9 OUTLIER -63.15 -44.02 96.68 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.466 1.104 . . . . 73.120000000000005 110.986 179.953 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.424 ' HA ' ' CD ' ' A' ' 15' ' ' LYS . 38.5 mt-10 -58.84 -15.27 11.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 72.25 110.24 -179.905 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 9.5 tppt? -94.75 -52.72 4.15 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.44 1.087 . . . . 72.310000000000002 109.357 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.477 ' HD3' ' CB ' ' A' ' 104' ' ' PHE . 1.7 tmm_? -63.61 -19.72 65.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 72.400000000000006 110.26 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.566 ' HD3' ' CE1' ' A' ' 11' ' ' PHE . 48.0 pttt -77.06 -43.96 32.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.456 1.097 . . . . 63.020000000000003 109.297 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -71.16 -13.52 61.97 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.577 1.173 . . . . 52.130000000000003 109.333 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 39.1 tp10 -76.69 -41.06 46.8 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.439 1.087 . . . . 64.25 110.334 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.447 ' HB3' ' CD2' ' A' ' 104' ' ' PHE . 0.6 OUTLIER -76.58 -17.99 58.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 73.400000000000006 109.982 179.976 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 20.5 mm-40 -65.41 -58.03 6.86 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.593 1.183 . . . . 72.310000000000002 110.337 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 3.8 ptt180 -63.65 -26.28 68.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 74.030000000000001 110.305 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 5.6 mt -65.82 -24.32 34.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.104 . . . . 70.129999999999995 109.232 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -71.5 -27.51 63.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 53.32 109.218 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 39.1 t0 -88.37 -48.79 7.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 74.040000000000006 109.329 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.507 ' HB3' ' CD2' ' A' ' 25' ' ' PHE . 1.8 ttp85 -61.23 -44.27 97.54 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.467 1.104 . . . . 72.200000000000003 110.302 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.507 ' CD2' ' HB3' ' A' ' 24' ' ' ARG . 9.5 m-85 -142.73 88.29 8.64 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.445 1.091 . . . . 64.319999999999993 111.051 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 -25.75 11.68 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.483 1.781 . . . . 74.200000000000003 111.066 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 -97.24 43.01 1.08 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.399 1.062 . . . . 72.439999999999998 109.311 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.461 ' CG ' ' HB3' ' A' ' 25' ' ' PHE . 0.1 OUTLIER -128.35 168.25 15.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 75.129999999999995 110.358 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.561 HG23 ' CB ' ' A' ' 95' ' ' TYR . 11.7 mm -127.38 99.8 27.01 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 73.209999999999994 109.22 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.602 ' HA ' HD22 ' A' ' 50' ' ' LEU . 18.4 Cg_endo -75.02 109.74 2.99 Favored 'Trans proline' 0 C--N 1.361 1.224 0 O-C-N 124.423 1.749 . . . . 64.019999999999996 110.982 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.641 ' O ' HD13 ' A' ' 32' ' ' ILE . 1.5 m -129.4 168.12 23.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.559 1.162 . . . . 75.340000000000003 109.281 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.757 HD11 ' CD1' ' A' ' 104' ' ' PHE . 3.8 mm -136.43 99.6 2.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.451 1.094 . . . . 65.239999999999995 109.191 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.601 ' SG ' HD12 ' A' ' 64' ' ' ILE . 3.7 t -64.31 135.55 56.31 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.538 1.149 . . . . 43.200000000000003 108.347 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.879 ' CG ' HH21 ' A' ' 47' ' ' ARG . 2.4 tt0 -138.75 166.69 23.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.113 . . . . 74.129999999999995 110.236 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.26 136.87 53.42 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.419 1.074 . . . . 74.109999999999999 109.336 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -82.94 133.99 35.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 61.539999999999999 109.356 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.466 ' CG ' ' N ' ' A' ' 38' ' ' LYS . 11.5 pt-20 -61.99 -49.08 77.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 72.099999999999994 110.365 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.466 ' N ' ' CG ' ' A' ' 37' ' ' GLU . 0.0 OUTLIER -44.92 -30.41 1.0 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.419 1.074 . . . . 70.129999999999995 109.205 -179.98 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -65.87 171.74 4.15 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.136 . . . . 61.219999999999999 109.942 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 19.4 t0 -127.21 18.67 7.03 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.455 1.097 . . . . 65.120000000000005 109.222 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.594 HD11 ' CE2' ' A' ' 109' ' ' TYR . 0.1 OUTLIER -94.12 164.14 21.29 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.431 1.082 . . . . 75.430000000000007 109.312 -179.947 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.484 ' O ' HG21 ' A' ' 68' ' ' ILE . 18.2 Cg_endo -75.12 130.47 13.18 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.504 1.792 . . . . 64.400000000000006 111.006 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 15.5 tt0 -71.46 156.58 39.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 74.430000000000007 110.252 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.678 HD11 ' HG3' ' A' ' 67' ' ' ARG . 13.8 tt -73.59 170.72 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.554 1.159 . . . . 73.530000000000001 109.405 179.904 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 39.1 m-20 -76.17 -44.21 39.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 74.129999999999995 109.354 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.415 ' N ' ' CD ' ' A' ' 46' ' ' LYS . 0.0 OUTLIER -138.92 168.88 18.85 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 72.310000000000002 109.318 179.961 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.879 HH21 ' CG ' ' A' ' 34' ' ' GLU . 0.2 OUTLIER -119.28 92.16 3.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 73.310000000000002 110.332 -179.958 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.626 ' NZ ' HD23 ' A' ' 50' ' ' LEU . 17.5 tptt -167.89 113.47 0.69 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.644 1.215 . . . . 65.409999999999997 109.369 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.64 ' CE2' ' CD1' ' A' ' 64' ' ' ILE . 18.5 m-85 -137.46 121.72 18.09 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 72.340000000000003 110.965 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.626 HD23 ' NZ ' ' A' ' 48' ' ' LYS . 0.5 OUTLIER -105.42 76.58 1.22 Allowed 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.484 1.115 . . . . 74.329999999999998 109.344 179.976 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.724 HG23 ' HD2' ' A' ' 52' ' ' PRO . 2.4 p -75.61 144.03 76.47 Favored Pre-proline 0 C--N 1.326 -0.423 0 O-C-N 124.419 1.075 . . . . 63.399999999999999 109.284 -179.903 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.724 ' HD2' HG23 ' A' ' 51' ' ' VAL . 18.1 Cg_endo -75.01 174.89 12.0 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.506 1.793 . . . . 72.439999999999998 110.949 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.529 ' HB1' ' OG ' ' A' ' 92' ' ' SER . . . -89.64 19.16 4.81 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.592 1.182 . . . . 72.450000000000003 109.316 179.902 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -120.08 -38.72 2.9 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.478 1.111 . . . . 72.409999999999997 109.403 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.443 ' HG ' ' CB ' ' A' ' 59' ' ' GLN . 2.8 tp -60.66 132.84 55.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 73.349999999999994 109.231 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.416 HG22 ' CD1' ' A' ' 90' ' ' LEU . 1.3 p -89.59 -173.48 3.97 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.546 1.154 . . . . 33.539999999999999 110.355 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 2.4 t -73.56 -44.81 52.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.536 1.147 . . . . 60.439999999999998 109.299 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -70.22 -9.2 63.49 Favored Glycine 0 CA--C 1.529 0.921 0 O-C-N 124.411 1.069 . . . . 73.230000000000004 111.007 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.443 ' CB ' ' HG ' ' A' ' 55' ' ' LEU . 6.7 mt-30 -95.68 -24.74 16.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.449 0.735 . . . . 74.530000000000001 110.27 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.65 ' CE2' HD11 ' A' ' 64' ' ' ILE . 44.1 t80 -77.77 -42.62 33.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.116 . . . . 73.030000000000001 111.006 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.706 HG22 HG12 ' A' ' 78' ' ' ILE . 95.6 t -47.91 -34.01 4.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 73.010000000000005 109.248 -179.917 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.565 ' CE1' ' HG3' ' A' ' 66' ' ' LYS . 0.2 OUTLIER -60.79 -38.85 86.7 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.557 1.161 . . . . 74.540000000000006 111.0 -179.98 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 1.016 HG21 ' C ' ' B' ' 630' ' ' ALA . 43.7 t -70.07 -43.47 79.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 65.319999999999993 109.329 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.65 HD11 ' CE2' ' A' ' 60' ' ' PHE . 3.8 mm -65.51 -33.88 66.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.547 1.154 . . . . 74.049999999999997 109.318 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.463 ' HE ' HG22 ' A' ' 76' ' ' ILE . 4.4 tpp85 -81.27 -3.25 51.88 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.455 1.097 . . . . 63.25 110.243 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.565 ' HG3' ' CE1' ' A' ' 62' ' ' TYR . 6.7 mmmt -90.52 -49.9 6.24 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.595 1.184 . . . . 71.450000000000003 109.297 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.678 ' HG3' HD11 ' A' ' 44' ' ' ILE . 5.5 mmp_? -50.17 -67.5 0.25 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 74.150000000000006 110.293 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.496 ' O ' ' CG ' ' A' ' 69' ' ' MET . 5.7 pt -72.02 -6.23 7.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.128 . . . . 74.209999999999994 109.283 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.496 ' CG ' ' O ' ' A' ' 68' ' ' ILE . 5.2 ptp 42.73 44.04 3.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 64.340000000000003 110.98 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.535 HD12 ' HA ' ' A' ' 70' ' ' LEU . 5.2 tp -53.96 140.51 51.07 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 62.43 109.276 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 170.04 21.29 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.544 1.813 . . . . 75.310000000000002 110.937 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.12 -0.42 9.98 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.457 1.767 . . . . 73.310000000000002 111.012 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 18.3 pt-20 -92.62 2.92 56.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 75.109999999999999 110.311 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -125.87 -179.62 4.76 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.5 1.125 . . . . 74.239999999999995 109.356 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -139.36 160.88 38.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.563 1.165 . . . . 54.009999999999998 109.304 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.883 HD11 ' CD2' ' A' ' 109' ' ' TYR . 1.6 tt -150.98 135.78 9.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.562 1.164 . . . . 71.129999999999995 109.231 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.735 ' HB3' HD11 ' A' ' 84' ' ' LEU . 94.8 m-85 -135.97 138.01 41.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 70.230000000000004 111.04 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.736 HG23 HG13 ' A' ' 107' ' ' VAL . 10.3 mm -84.1 135.4 24.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.557 1.161 . . . . 70.040000000000006 109.376 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' PHE . . . . . 0.507 ' CZ ' HD13 ' A' ' 84' ' ' LEU . 3.9 m-85 -127.2 119.99 27.71 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.433 1.083 . . . . 63.119999999999997 111.0 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.563 ' O ' HG22 ' A' ' 83' ' ' THR . 1.7 t -119.15 109.45 26.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.464 1.102 . . . . 75.209999999999994 109.38 179.888 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' ASN . . . . . 0.517 ' O ' ' CB ' ' A' ' 82' ' ' ASP . 2.7 m120 71.95 19.46 4.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.106 . . . . 74.420000000000002 109.24 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' ASP . . . . . 0.517 ' CB ' ' O ' ' A' ' 81' ' ' ASN . 3.9 m-20 82.78 23.42 0.17 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.411 1.069 . . . . 75.129999999999995 109.315 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.563 HG22 ' O ' ' A' ' 80' ' ' VAL . 0.7 OUTLIER -131.09 133.64 45.84 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.62 1.2 . . . . 74.25 110.375 179.987 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.735 HD11 ' HB3' ' A' ' 77' ' ' PHE . 0.2 OUTLIER -92.07 112.1 53.28 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 64.219999999999999 109.354 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 166.75 28.56 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.524 1.802 . . . . 73.140000000000001 111.043 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' PRO . . . . . 0.888 ' HG2' ' HB2' ' A' ' 89' ' ' ALA . 18.3 Cg_endo -75.04 -167.41 0.42 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.478 1.778 . . . . 70.439999999999998 111.017 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 2.8 p -97.48 -37.96 9.78 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.476 1.11 . . . . 62.409999999999997 110.351 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -82.42 6.77 16.13 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 71.439999999999998 109.307 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 1.039 ' HB1' HD11 ' A' ' 94' ' ' ILE . . . -76.11 61.65 1.59 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.529 1.143 . . . . 73.430000000000007 109.335 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.589 ' C ' ' O ' ' A' ' 89' ' ' ALA . 0.4 OUTLIER -24.48 122.4 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.521 1.138 . . . . 71.209999999999994 109.239 -179.959 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 91' ' ' MET . . . . . 0.432 ' CG ' ' O ' ' A' ' 55' ' ' LEU . 41.5 mmm -53.55 -17.94 2.47 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.464 1.103 . . . . 71.209999999999994 110.984 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 92' ' ' SER . . . . . 0.529 ' OG ' ' HB1' ' A' ' 53' ' ' ALA . 5.3 t -72.92 -39.31 66.4 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.447 1.092 . . . . 61.219999999999999 109.987 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -85.28 -9.91 57.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 70.439999999999998 109.315 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 1.039 HD11 ' HB1' ' A' ' 89' ' ' ALA . 23.3 mm -83.88 -46.22 18.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.569 1.168 . . . . 61.530000000000001 109.262 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 95' ' ' TYR . . . . . 0.596 ' CE2' ' HD2' ' A' ' 30' ' ' PRO . 14.5 t80 -70.52 -4.24 21.92 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.464 1.102 . . . . 52.140000000000001 111.023 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -100.92 -12.44 18.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 73.329999999999998 110.272 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -118.75 -8.18 10.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.457 1.098 . . . . 70.129999999999995 110.25 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 98' ' ' HIS . . . . . 0.512 ' CD2' ' OD1' ' A' ' 81' ' ' ASN . 39.1 m80 -129.45 18.07 5.87 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 62.030000000000001 109.635 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.509 ' HB3' ' O ' ' A' ' 95' ' ' TYR . 0.0 OUTLIER -54.64 174.0 0.07 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.422 1.077 . . . . 60.420000000000002 109.264 -179.944 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -137.06 166.07 24.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 64.510000000000005 109.26 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 19.1 mtmm -58.85 -46.31 88.03 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.45 1.094 . . . . 74.239999999999995 109.319 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' ASP . . . . . 0.577 ' HB3' ' CE2' ' A' ' 11' ' ' PHE . 0.4 OUTLIER -70.09 -8.28 48.22 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.495 1.122 . . . . 52.350000000000001 109.322 179.944 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 87.73 -39.68 3.1 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.538 1.149 . . . . 42.140000000000001 110.954 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 104' ' ' PHE . . . . . 0.757 ' CD1' HD11 ' A' ' 32' ' ' ILE . 2.9 m-85 -65.08 130.04 41.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 0.781 . . . . 73.230000000000004 110.965 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.466 HD12 ' HA ' ' A' ' 105' ' ' LEU . 4.2 tp -71.27 167.7 18.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 74.420000000000002 109.261 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 106' ' ' TYR . . . . . 0.449 ' OH ' ' NH2' ' A' ' 14' ' ' ARG . 63.6 m-85 -141.91 88.76 2.14 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.59 1.181 . . . . 64.400000000000006 110.979 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.736 HG13 HG23 ' A' ' 78' ' ' ILE . 2.1 t -90.98 163.45 2.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.552 1.158 . . . . 71.319999999999993 109.253 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 108' ' ' THR . . . . . 0.825 HG23 ' HB3' ' A' ' 34' ' ' GLU . 0.2 OUTLIER -152.56 108.59 3.36 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.114 . . . . 74.209999999999994 110.476 180.0 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 109' ' ' TYR . . . . . 0.883 ' CD2' HD11 ' A' ' 76' ' ' ILE . 37.4 p90 -95.07 138.79 32.32 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.132 . . . . 63.539999999999999 110.949 -179.909 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 28.8 t -137.1 154.18 50.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.461 1.101 . . . . 73.5 110.066 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -81.14 5.13 67.9 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.512 1.132 . . . . 54.340000000000003 110.99 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -116.77 134.91 54.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 0.753 . . . . 65.25 110.326 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 113' ' ' ASN . . . . . 0.467 ' HB2' ' CE2' ' A' ' 77' ' ' PHE . 21.8 t-20 -91.84 16.3 11.17 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.467 1.105 . . . . 71.129999999999995 109.368 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 114' ' ' THR . . . . . 0.506 HG22 ' H ' ' A' ' 115' ' ' PHE . 10.8 m -107.74 174.87 5.69 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.566 1.167 . . . . 73.219999999999999 110.372 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 115' ' ' PHE . . . . . 0.506 ' H ' HG22 ' A' ' 114' ' ' THR . 2.1 p90 -122.66 97.53 5.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.56 1.163 . . . . 74.329999999999998 110.949 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.088 0 O-C-N 124.525 1.14 . . . . 63.520000000000003 110.926 -179.986 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 597' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 N-CA-C 110.914 -0.874 . . . . 75.340000000000003 110.914 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 598' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 113.95 3.91 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.392 1.733 . . . . 62.549999999999997 111.005 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 599' ' ' HIS . . . . . . . . . . . . . 9.3 p80 -146.79 160.07 42.71 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.337 1.023 . . . . 61.329999999999998 109.523 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 600' ' ' MET . . . . . . . . . . . . . 7.6 ttm -41.94 150.84 0.11 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.474 1.109 . . . . 71.310000000000002 110.888 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 601' ' ' ILE . . . . . 0.64 HG22 ' O ' ' B' ' 601' ' ' ILE . 4.8 mp -92.25 61.19 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.599 1.187 . . . . 72.439999999999998 109.25 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 602' ' ' SER . . . . . . . . . . . . . 69.0 m -73.24 -74.79 0.16 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.427 1.079 . . . . 55.439999999999998 109.971 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 603' ' ' GLY . . . . . 0.402 ' HA3' ' NZ ' ' B' ' 608' ' ' LYS . . . 46.74 87.17 0.01 OUTLIER Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.472 1.108 . . . . 71.310000000000002 111.038 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 604' ' ' LEU . . . . . . . . . . . . . 3.9 pp -49.33 -34.75 16.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 0.775 . . . . 63.329999999999998 109.275 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 605' ' ' SER . . . . . . . . . . . . . 17.2 p -67.97 -175.1 0.53 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.149 . . . . 73.049999999999997 110.015 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 606' ' ' VAL . . . . . . . . . . . . . 3.5 p -42.52 150.75 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 74.109999999999999 109.302 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 607' ' ' ILE . . . . . . . . . . . . . 4.3 mm -53.1 143.67 4.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.449 1.093 . . . . 71.450000000000003 109.282 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 608' ' ' LYS . . . . . 0.402 ' NZ ' ' HA3' ' B' ' 603' ' ' GLY . 0.0 OUTLIER -139.87 152.4 46.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.403 1.064 . . . . 71.519999999999996 109.308 -179.98 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 609' ' ' GLN . . . . . 0.445 ' CD ' ' N ' ' B' ' 609' ' ' GLN . 0.8 OUTLIER -120.74 147.61 45.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.585 1.178 . . . . 75.510000000000005 110.39 179.967 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 610' ' ' GLU . . . . . 0.577 ' O ' HG13 ' B' ' 611' ' ' VAL . 87.4 mt-10 -43.79 167.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.477 1.111 . . . . 74.310000000000002 110.345 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 611' ' ' VAL . . . . . 0.577 HG13 ' O ' ' B' ' 610' ' ' GLU . 0.7 OUTLIER -156.79 111.55 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 74.530000000000001 109.204 -179.949 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 612' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -109.79 -56.2 2.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 72.219999999999999 110.331 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 613' ' ' ARG . . . . . . . . . . . . . 18.1 ptp180 -131.13 -43.29 1.06 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.437 1.086 . . . . 71.310000000000002 110.376 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 614' ' ' LEU . . . . . 0.738 HD22 ' O ' ' B' ' 618' ' ' VAL . 3.3 pp -109.9 -169.34 1.45 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.466 1.104 . . . . 75.010000000000005 109.272 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 615' ' ' GLY . . . . . 0.401 ' O ' ' C ' ' B' ' 616' ' ' ASN . . . -173.18 -111.65 0.27 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.546 1.154 . . . . 55.229999999999997 111.009 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 616' ' ' ASN . . . . . 0.419 ' ND2' ' OD2' ' B' ' 617' ' ' ASP . 0.5 OUTLIER -39.79 -70.68 0.1 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.521 0.777 . . . . 73.319999999999993 109.384 179.932 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 617' ' ' ASP . . . . . 0.438 ' C ' ' N ' ' B' ' 619' ' ' PHE . 0.3 OUTLIER -95.7 98.1 10.22 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.482 1.113 . . . . 64.209999999999994 109.282 179.939 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 618' ' ' VAL . . . . . 0.831 HG12 ' CE2' ' A' ' 9' ' ' TYR . 5.2 m -39.11 -31.12 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.45 1.094 . . . . 73.239999999999995 109.301 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 619' ' ' PHE . . . . . 0.83 ' CD1' HG23 ' B' ' 618' ' ' VAL . 7.7 m-30 -89.28 78.9 7.18 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.461 1.101 . . . . 72.230000000000004 110.948 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 620' ' ' GLU . . . . . 0.418 ' CD ' ' HA ' ' B' ' 614' ' ' LEU . 6.0 pt-20 -140.71 49.54 1.69 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.554 1.159 . . . . 53.420000000000002 110.32 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 621' ' ' TRP . . . . . 0.669 ' CZ3' HD23 ' B' ' 614' ' ' LEU . 1.0 OUTLIER -142.46 -166.63 2.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 73.319999999999993 108.005 -179.96 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 622' ' ' GLU . . . . . 0.542 ' C ' ' O ' ' B' ' 621' ' ' TRP . 2.4 mm-40 -26.98 -81.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.104 . . . . 64.150000000000006 110.291 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 623' ' ' ASP . . . . . 0.531 ' O ' ' CB ' ' B' ' 626' ' ' SER . 3.6 m-20 -153.04 105.56 2.93 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 72.319999999999993 109.299 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 624' ' ' ASP . . . . . 0.651 ' CB ' ' CG ' ' B' ' 619' ' ' PHE . 2.1 p-10 -54.7 -47.5 73.61 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.44 1.088 . . . . 63.210000000000001 109.354 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 625' ' ' GLU . . . . . 0.401 ' O ' ' C ' ' B' ' 626' ' ' SER . 1.4 pt-20 -81.79 5.94 17.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.146 . . . . 75.099999999999994 110.294 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 626' ' ' SER . . . . . 0.531 ' CB ' ' O ' ' B' ' 623' ' ' ASP . 12.9 t -38.37 156.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 72.439999999999998 110.046 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 627' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -86.76 7.3 27.42 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 61.450000000000003 109.328 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 628' ' ' GLU . . . . . 0.48 ' O ' ' CG1' ' A' ' 63' ' ' VAL . 4.9 pt-20 -96.59 -3.98 42.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.61 1.194 . . . . 70.040000000000006 110.382 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 629' ' ' ILE . . . . . 0.6 ' C ' HD12 ' B' ' 629' ' ' ILE . 1.2 pp -109.03 16.53 7.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 61.409999999999997 109.251 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 630' ' ' ALA . . . . . 1.016 ' C ' HG21 ' A' ' 63' ' ' VAL . . . . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.114 . . . . 73.25 109.342 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 0' ' ' HIS . . . . . . . . . . . . . 30.8 p-80 . . . . . 0 N--CA 1.452 -0.336 0 N-CA-C 109.677 -0.49 . . . . 72.510000000000005 109.677 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.8 ptp -123.88 161.06 26.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 71.219999999999999 111.026 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 17.3 mtpt -127.69 -51.78 1.36 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.112 . . . . 64.099999999999994 109.342 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.434 ' OG ' ' NH1' ' A' ' 47' ' ' ARG . 4.3 m -90.5 148.09 22.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 61.210000000000001 109.94 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.433 ' OG1' ' HA ' ' A' ' 46' ' ' LYS . 61.5 p -132.03 -75.75 0.51 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.425 1.078 . . . . 74.439999999999998 110.399 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.564 ' O ' ' CZ ' ' A' ' 9' ' ' TYR . 9.5 t80 -55.26 -17.61 4.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.554 1.159 . . . . 75.109999999999999 111.017 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.486 ' HZ2' ' CZ ' ' A' ' 47' ' ' ARG . 0.0 OUTLIER -100.13 -26.71 13.85 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.515 1.134 . . . . 72.109999999999999 109.368 179.956 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -87.12 4.95 40.17 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.365 1.041 . . . . 63.350000000000001 109.973 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.743 ' O ' HG12 ' B' ' 611' ' ' VAL . 1.4 tp10 -87.09 -37.15 17.66 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 75.049999999999997 110.279 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.568 ' CD2' ' HB3' ' A' ' 8' ' ' GLU . 0.4 OUTLIER -143.7 169.09 11.07 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.506 1.129 . . . . 62.130000000000003 110.974 -179.965 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 177.81 8.07 Favored 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.528 1.804 . . . . 44.439999999999998 111.079 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.436 ' CE2' ' HB3' ' A' ' 102' ' ' ASP . 2.0 t80 -62.07 -54.05 46.86 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.604 1.19 . . . . 73.120000000000005 110.991 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.435 ' O ' ' N ' ' A' ' 15' ' ' LYS . 29.3 mp0 -46.81 -55.34 8.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.13 . . . . 72.25 110.277 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.42 ' HG2' ' CB ' ' A' ' 9' ' ' TYR . 0.1 OUTLIER -45.45 -31.41 1.72 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.396 1.06 . . . . 72.310000000000002 109.315 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.469 ' NH2' ' CZ ' ' A' ' 106' ' ' TYR . 14.8 mtp85 -84.39 -35.02 23.44 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.469 1.106 . . . . 72.400000000000006 110.229 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.435 ' N ' ' O ' ' A' ' 12' ' ' GLU . 9.3 pttt -62.48 -42.57 99.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.135 . . . . 63.020000000000003 109.348 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -68.38 -25.38 65.04 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.402 1.063 . . . . 52.130000000000003 109.315 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.401 ' C ' ' N ' ' A' ' 19' ' ' GLU . 28.0 tp10 -71.79 -68.24 0.47 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.385 1.053 . . . . 64.25 110.306 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 4.4 p -47.48 -24.6 0.86 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 73.400000000000006 110.006 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.401 ' N ' ' C ' ' A' ' 17' ' ' GLU . 6.1 mm-40 -63.28 -42.86 99.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 72.310000000000002 110.28 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 24.5 mtp180 -77.49 -36.11 52.99 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.509 1.13 . . . . 74.030000000000001 110.257 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 19.3 mt -60.62 -18.5 17.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.55 1.156 . . . . 70.129999999999995 109.285 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -74.36 -26.08 59.91 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.559 1.162 . . . . 53.32 109.331 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 63.1 t0 -94.97 -37.07 11.32 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.455 1.097 . . . . 74.040000000000006 109.27 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.543 ' HB3' ' CE2' ' A' ' 25' ' ' PHE . 6.8 mtp180 -68.31 -50.69 51.77 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.564 1.165 . . . . 72.200000000000003 110.312 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.543 ' CE2' ' HB3' ' A' ' 24' ' ' ARG . 3.2 m-85 -140.02 91.26 10.29 Favored Pre-proline 0 C--N 1.324 -0.528 0 O-C-N 124.598 1.186 . . . . 64.319999999999993 111.002 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 -29.61 8.14 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.485 1.782 . . . . 74.200000000000003 111.048 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 5.1 m-20 -91.14 40.03 1.01 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 72.439999999999998 109.214 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.404 ' HD3' ' HA ' ' A' ' 52' ' ' PRO . 12.5 mmt85 -125.25 171.26 10.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 75.129999999999995 110.32 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.544 HD12 ' HA ' ' A' ' 92' ' ' SER . 20.3 mm -138.55 96.73 9.55 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 73.209999999999994 109.276 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.564 ' HD2' ' CE2' ' A' ' 95' ' ' TYR . 18.1 Cg_endo -75.07 121.08 6.33 Favored 'Trans proline' 0 C--N 1.359 1.099 0 O-C-N 124.464 1.77 . . . . 64.019999999999996 110.965 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.511 HG13 HG22 ' A' ' 51' ' ' VAL . 0.9 OUTLIER -132.74 173.92 14.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.584 1.177 . . . . 75.340000000000003 109.251 -179.966 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.593 HG22 ' HB2' ' A' ' 47' ' ' ARG . 6.1 mm -136.1 98.5 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.467 1.105 . . . . 65.239999999999995 109.282 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.62 ' HA ' HG13 ' A' ' 107' ' ' VAL . 2.0 t -85.41 122.48 29.63 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.573 1.17 . . . . 43.200000000000003 108.266 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.442 ' OE2' HG22 ' A' ' 44' ' ' ILE . 7.7 tp10 -134.23 159.22 41.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.555 1.159 . . . . 74.129999999999995 110.238 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.567 ' HG2' ' CE2' ' A' ' 109' ' ' TYR . 0.1 OUTLIER -99.59 124.26 44.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.12 . . . . 74.109999999999999 109.293 -179.92 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.412 ' N ' ' HD2' ' A' ' 35' ' ' LYS . . . -55.35 176.78 0.05 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.562 1.163 . . . . 61.539999999999999 109.283 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.455 ' CG ' ' N ' ' A' ' 38' ' ' LYS . 11.9 pt-20 -96.3 -51.07 4.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.626 1.204 . . . . 72.099999999999994 110.31 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.455 ' N ' ' CG ' ' A' ' 37' ' ' GLU . 12.0 mmmt -47.74 -48.48 29.81 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.478 1.111 . . . . 70.129999999999995 109.245 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.413 ' HB3' ' NZ ' ' A' ' 35' ' ' LYS . 0.3 OUTLIER -39.74 158.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 61.219999999999999 110.035 -179.994 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -114.25 2.65 14.87 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.4 1.063 . . . . 65.120000000000005 109.299 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.626 HD11 ' CE2' ' A' ' 109' ' ' TYR . 0.1 OUTLIER -77.27 166.77 41.89 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.547 1.155 . . . . 75.430000000000007 109.293 -179.959 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.416 ' O ' HG21 ' A' ' 68' ' ' ILE . 18.3 Cg_endo -75.06 120.3 5.99 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.52 1.8 . . . . 64.400000000000006 111.004 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -58.39 141.64 50.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.144 . . . . 74.430000000000007 110.23 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.762 HD11 ' OH ' ' A' ' 49' ' ' TYR . 4.6 tt -60.61 173.83 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.132 . . . . 73.530000000000001 109.356 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -77.77 -35.35 51.72 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.441 1.088 . . . . 74.129999999999995 109.321 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.532 ' HE2' ' CE2' ' B' ' 621' ' ' TRP . 0.0 OUTLIER -163.48 169.55 18.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.142 . . . . 72.310000000000002 109.287 179.965 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.593 ' HB2' HG22 ' A' ' 32' ' ' ILE . 3.5 ptm180 -113.94 94.98 5.08 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.44 1.087 . . . . 73.310000000000002 110.308 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.556 ' HB2' ' CD2' ' A' ' 5' ' ' PHE . 15.2 tptp -166.64 108.93 0.71 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.573 1.171 . . . . 65.409999999999997 109.185 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.762 ' OH ' HD11 ' A' ' 44' ' ' ILE . 30.9 m-85 -140.13 121.72 15.22 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.115 . . . . 72.340000000000003 110.927 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 6.8 tp -105.55 77.33 1.27 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.12 . . . . 74.329999999999998 109.34 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.745 HG12 ' HA ' ' B' ' 630' ' ' ALA . 19.7 m -75.33 150.07 84.78 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.573 1.171 . . . . 63.399999999999999 109.308 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.404 ' HA ' ' HD3' ' A' ' 28' ' ' ARG . 18.2 Cg_endo -75.0 -177.6 3.58 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.453 1.765 . . . . 72.439999999999998 110.963 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -94.63 18.8 10.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 72.450000000000003 109.304 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -119.59 -39.0 2.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.545 1.153 . . . . 72.409999999999997 109.31 179.897 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.863 HD13 ' N ' ' A' ' 56' ' ' THR . 1.2 tm? -52.93 164.52 0.38 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 73.349999999999994 109.316 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.863 ' N ' HD13 ' A' ' 55' ' ' LEU . 0.2 OUTLIER -133.13 179.2 6.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.427 1.079 . . . . 33.539999999999999 110.434 179.973 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 2.8 t -67.33 -59.58 3.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 60.439999999999998 109.279 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -55.28 -16.94 10.3 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.59 1.181 . . . . 73.230000000000004 111.001 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.553 ' HB3' HD21 ' A' ' 55' ' ' LEU . 37.7 mt-30 -99.15 -29.47 12.83 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.58 0.812 . . . . 74.530000000000001 110.363 179.883 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.572 ' HE2' HG11 ' A' ' 107' ' ' VAL . 14.0 t80 -69.57 -38.37 77.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.146 . . . . 73.030000000000001 110.956 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.596 HG22 ' CG1' ' A' ' 78' ' ' ILE . 84.6 t -56.75 -44.31 81.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.529 1.143 . . . . 73.010000000000005 109.302 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.571 ' CD1' ' O ' ' A' ' 62' ' ' TYR . 0.0 OUTLIER -47.33 -26.19 1.2 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.513 1.133 . . . . 74.540000000000006 111.001 180.0 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.96 HG21 ' C ' ' B' ' 630' ' ' ALA . 78.2 t -82.98 -43.28 18.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 65.319999999999993 109.358 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.516 HG21 ' CG ' ' A' ' 109' ' ' TYR . 11.6 mm -63.92 -30.37 49.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.444 1.09 . . . . 74.049999999999997 109.363 179.89 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 8.9 tpp85 -80.87 -3.12 50.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.145 . . . . 63.25 110.269 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 2.2 mttm -91.18 -52.34 4.87 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.132 . . . . 71.450000000000003 109.304 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.401 ' HG3' ' OH ' ' A' ' 49' ' ' TYR . 5.1 mmp_? -47.78 -70.48 0.09 Allowed 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.529 1.143 . . . . 74.150000000000006 110.264 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.49 ' O ' ' CG ' ' A' ' 69' ' ' MET . 4.9 pt -69.92 -7.83 9.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.433 1.083 . . . . 74.209999999999994 109.244 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.49 ' CG ' ' O ' ' A' ' 68' ' ' ILE . 3.0 ptt? 43.31 40.41 2.55 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.475 1.109 . . . . 64.340000000000003 110.955 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.504 HD12 ' HA ' ' A' ' 70' ' ' LEU . 4.7 tp -50.96 140.73 20.08 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.546 1.154 . . . . 62.43 109.257 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 171.15 18.88 Favored 'Trans proline' 0 C--N 1.362 1.271 0 O-C-N 124.474 1.776 . . . . 75.310000000000002 110.983 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -75.03 0.26 9.14 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.5 1.79 . . . . 73.310000000000002 110.94 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -94.65 8.38 42.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.154 . . . . 75.109999999999999 110.3 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -130.6 -179.19 5.14 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.515 1.134 . . . . 74.239999999999995 109.301 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -140.02 163.08 33.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 54.009999999999998 109.307 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.703 HD11 ' CD2' ' A' ' 109' ' ' TYR . 2.3 tt -150.69 137.12 12.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.427 1.079 . . . . 71.129999999999995 109.276 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 79.9 m-85 -136.79 139.47 41.81 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.435 1.084 . . . . 70.230000000000004 110.95 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.6 ' CG2' ' CG2' ' A' ' 107' ' ' VAL . 5.7 mm -84.62 155.26 3.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.534 1.146 . . . . 70.040000000000006 109.292 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' PHE . . . . . 0.487 ' CE1' ' HB3' ' A' ' 115' ' ' PHE . 5.7 m-85 -145.72 128.27 16.06 Favored 'General case' 0 C--N 1.323 -0.569 0 O-C-N 124.58 1.175 . . . . 63.119999999999997 111.065 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.751 ' O ' HG22 ' A' ' 83' ' ' THR . 2.4 t -131.78 105.4 9.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.123 . . . . 75.209999999999994 109.401 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' ASN . . . . . 0.461 ' O ' ' CB ' ' A' ' 82' ' ' ASP . 3.1 m120 72.32 24.22 3.08 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.12 . . . . 74.420000000000002 109.292 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' ASP . . . . . 0.461 ' CB ' ' O ' ' A' ' 81' ' ' ASN . 4.3 m-20 78.85 18.09 0.92 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 75.129999999999995 109.349 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.751 HG22 ' O ' ' A' ' 80' ' ' VAL . 1.0 OUTLIER -120.25 143.16 48.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 74.25 110.419 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.401 ' CD1' ' CZ ' ' A' ' 79' ' ' PHE . 0.2 OUTLIER -100.56 108.46 53.41 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.455 1.097 . . . . 64.219999999999999 109.315 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.13 162.25 37.09 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.493 1.786 . . . . 73.140000000000001 110.946 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' PRO . . . . . 0.741 ' HD2' ' HB2' ' A' ' 89' ' ' ALA . 18.4 Cg_endo -74.95 -163.83 0.2 Allowed 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.483 1.781 . . . . 70.439999999999998 110.996 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 3.7 p -96.7 -31.75 12.53 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.522 1.139 . . . . 62.409999999999997 110.41 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -86.03 10.39 14.35 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.528 1.142 . . . . 71.439999999999998 109.372 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 1.03 ' HB1' HD11 ' A' ' 94' ' ' ILE . . . -75.89 60.73 1.39 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.528 1.142 . . . . 73.430000000000007 109.238 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.507 ' C ' ' O ' ' A' ' 89' ' ' ALA . 0.4 OUTLIER -31.74 117.37 0.2 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 71.209999999999994 109.308 179.869 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 91' ' ' MET . . . . . 0.425 ' C ' ' O ' ' A' ' 90' ' ' LEU . 55.9 mmm -36.06 -32.02 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.398 1.061 . . . . 71.209999999999994 110.989 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 92' ' ' SER . . . . . 0.544 ' HA ' HD12 ' A' ' 29' ' ' ILE . 6.0 p -62.61 -54.95 31.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 61.219999999999999 110.016 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.438 ' N ' ' O ' ' A' ' 90' ' ' LEU . . . -66.17 -10.95 46.19 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.605 1.191 . . . . 70.439999999999998 109.298 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 1.03 HD11 ' HB1' ' A' ' 89' ' ' ALA . 30.5 mm -90.92 -39.09 11.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 O-C-N 124.505 1.128 . . . . 61.530000000000001 109.323 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 95' ' ' TYR . . . . . 0.762 ' CD2' HD23 ' A' ' 105' ' ' LEU . 9.6 t80 -79.91 -5.99 56.62 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.629 1.205 . . . . 52.140000000000001 111.021 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 96' ' ' GLN . . . . . 0.436 ' O ' ' CG ' ' A' ' 96' ' ' GLN . 3.3 tp-100 -100.25 -10.53 21.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.14 . . . . 73.329999999999998 110.343 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -120.27 -8.27 9.69 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.469 1.106 . . . . 70.129999999999995 110.319 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' HIS . . . . . 0.629 ' HB2' HD11 ' A' ' 105' ' ' LEU . 32.6 m170 -126.36 16.21 7.71 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.563 1.164 . . . . 62.030000000000001 109.639 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.506 ' HB3' ' O ' ' A' ' 95' ' ' TYR . 0.1 OUTLIER -58.37 153.41 15.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.603 1.189 . . . . 60.420000000000002 109.302 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -120.29 177.02 5.18 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.46 1.1 . . . . 64.510000000000005 109.308 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 19.3 mtpt -61.79 -27.74 68.97 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.414 1.071 . . . . 74.239999999999995 109.357 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' ASP . . . . . 0.436 ' HB3' ' CE2' ' A' ' 11' ' ' PHE . 0.6 OUTLIER -89.67 -14.01 35.73 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 52.350000000000001 109.376 179.971 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 103' ' ' GLY . . . . . 0.544 ' O ' ' CZ ' ' A' ' 95' ' ' TYR . . . 91.18 -38.33 3.23 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.5 1.125 . . . . 42.140000000000001 111.095 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 104' ' ' PHE . . . . . 0.509 ' CD1' ' HB2' ' A' ' 30' ' ' PRO . 10.1 m-85 -57.89 135.25 56.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.458 0.74 . . . . 73.230000000000004 110.967 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.762 HD23 ' CD2' ' A' ' 95' ' ' TYR . 0.3 OUTLIER -82.0 145.91 30.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.102 . . . . 74.420000000000002 109.343 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 106' ' ' TYR . . . . . 0.469 ' CZ ' ' NH2' ' A' ' 14' ' ' ARG . 68.7 m-85 -121.4 92.39 3.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.105 . . . . 64.400000000000006 110.986 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.62 HG13 ' HA ' ' A' ' 33' ' ' CYS . 12.8 p -103.56 167.54 2.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.15 . . . . 71.319999999999993 109.351 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 108' ' ' THR . . . . . 0.471 ' N ' HG22 ' A' ' 107' ' ' VAL . 0.2 OUTLIER -150.17 153.74 36.83 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.393 1.058 . . . . 74.209999999999994 110.432 179.964 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 109' ' ' TYR . . . . . 0.703 ' CD2' HD11 ' A' ' 76' ' ' ILE . 32.0 p90 -132.94 136.18 45.97 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.49 1.119 . . . . 63.539999999999999 110.993 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 45.8 t -137.26 153.73 50.28 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.49 1.119 . . . . 73.5 109.986 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -79.11 3.48 65.68 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.488 1.117 . . . . 54.340000000000003 111.022 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -123.99 131.66 53.59 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.553 0.796 . . . . 65.25 110.349 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 12.1 t-20 -73.15 -5.23 37.78 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.572 1.17 . . . . 71.129999999999995 109.467 179.869 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -74.63 161.7 29.44 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.51 1.131 . . . . 73.219999999999999 110.396 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 115' ' ' PHE . . . . . 0.487 ' HB3' ' CE1' ' A' ' 79' ' ' PHE . 0.7 OUTLIER -140.65 67.82 1.36 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 74.329999999999998 110.996 179.959 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.016 0 O-C-N 124.493 1.121 . . . . 63.520000000000003 110.993 -179.996 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 597' ' ' GLY . . . . . 0.414 ' N ' ' HD3' ' B' ' 598' ' ' PRO . . . . . . . . 0 CA--C 1.531 1.032 0 N-CA-C 111.025 -0.83 . . . . 75.340000000000003 111.025 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 598' ' ' PRO . . . . . 0.414 ' HD3' ' N ' ' B' ' 597' ' ' GLY . 18.2 Cg_endo -75.06 168.79 24.01 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.611 1.848 . . . . 62.549999999999997 110.989 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 599' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -103.68 143.31 32.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.583 1.177 . . . . 61.329999999999998 109.575 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 600' ' ' MET . . . . . . . . . . . . . 33.0 ttp -168.77 157.03 8.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.128 . . . . 71.310000000000002 110.972 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 601' ' ' ILE . . . . . 0.413 HG22 ' O ' ' B' ' 601' ' ' ILE . 25.3 mm -90.23 59.62 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.544 1.153 . . . . 72.439999999999998 109.276 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 602' ' ' SER . . . . . . . . . . . . . 4.7 p -49.88 129.09 19.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.428 1.08 . . . . 55.439999999999998 110.019 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 603' ' ' GLY . . . . . . . . . . . . . . . -95.57 -31.33 7.53 Favored Glycine 0 CA--C 1.529 0.908 0 O-C-N 124.504 1.128 . . . . 71.310000000000002 111.036 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 604' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -64.72 -15.59 61.71 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 0.752 . . . . 63.329999999999998 109.321 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 605' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -116.46 70.61 0.77 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.418 1.073 . . . . 73.049999999999997 109.928 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 606' ' ' VAL . . . . . 0.53 HG12 ' N ' ' B' ' 607' ' ' ILE . 21.9 t -50.69 170.38 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 74.109999999999999 109.287 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 607' ' ' ILE . . . . . 0.53 ' N ' HG12 ' B' ' 606' ' ' VAL . 6.3 mt -40.36 154.72 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.431 1.082 . . . . 71.450000000000003 109.209 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 608' ' ' LYS . . . . . 0.444 ' HB3' ' HZ3' ' B' ' 608' ' ' LYS . 0.0 OUTLIER -163.06 138.34 6.68 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.552 1.158 . . . . 71.519999999999996 109.31 179.969 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 609' ' ' GLN . . . . . . . . . . . . . 5.2 mp0 -89.95 -1.97 58.07 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.122 . . . . 75.510000000000005 110.289 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 610' ' ' GLU . . . . . 0.409 ' HG2' ' CG ' ' B' ' 608' ' ' LYS . 15.6 pt-20 -55.59 -172.08 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.42 1.075 . . . . 74.310000000000002 110.278 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 611' ' ' VAL . . . . . 0.743 HG12 ' O ' ' A' ' 8' ' ' GLU . 14.7 m -136.38 -171.76 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 74.530000000000001 109.27 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 612' ' ' GLU . . . . . 0.409 ' HG3' ' N ' ' B' ' 613' ' ' ARG . 17.6 pt-20 -116.8 -49.48 2.63 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.576 1.173 . . . . 72.219999999999999 110.291 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 613' ' ' ARG . . . . . 0.763 ' CG ' HD12 ' B' ' 614' ' ' LEU . 18.6 ptp180 -137.29 -45.17 0.56 Allowed 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.551 1.157 . . . . 71.310000000000002 110.353 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 614' ' ' LEU . . . . . 0.844 HD21 ' CZ3' ' B' ' 621' ' ' TRP . 4.6 mp -76.4 133.97 39.75 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.474 1.109 . . . . 75.010000000000005 109.31 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 615' ' ' GLY . . . . . . . . . . . . . . . -137.88 -98.41 0.47 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.547 1.155 . . . . 55.229999999999997 110.971 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 616' ' ' ASN . . . . . 0.454 ' CG ' ' N ' ' B' ' 617' ' ' ASP . 14.1 p-10 -89.17 -45.04 9.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.578 0.811 . . . . 73.319999999999993 109.317 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 617' ' ' ASP . . . . . 0.454 ' N ' ' CG ' ' B' ' 616' ' ' ASN . 56.6 m-20 -72.71 -12.0 60.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.413 1.071 . . . . 64.209999999999994 109.277 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 618' ' ' VAL . . . . . 0.578 ' O ' ' CD1' ' B' ' 619' ' ' PHE . 0.0 OUTLIER 39.66 33.52 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.123 . . . . 73.239999999999995 109.316 -179.897 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 619' ' ' PHE . . . . . 0.578 ' CD1' ' O ' ' B' ' 618' ' ' VAL . 14.0 m-85 -153.62 123.69 6.92 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.434 1.084 . . . . 72.230000000000004 110.959 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 620' ' ' GLU . . . . . 0.402 ' CD ' ' O ' ' B' ' 619' ' ' PHE . 4.0 mm-40 -140.41 -54.48 0.52 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 53.420000000000002 110.326 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 621' ' ' TRP . . . . . 0.844 ' CZ3' HD21 ' B' ' 614' ' ' LEU . 9.0 p90 -53.42 167.5 0.21 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.139 . . . . 73.319999999999993 108.054 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 622' ' ' GLU . . . . . 0.428 ' HG3' ' N ' ' B' ' 623' ' ' ASP . 36.1 tp10 -39.13 153.1 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 64.150000000000006 110.294 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 623' ' ' ASP . . . . . 0.428 ' N ' ' HG3' ' B' ' 622' ' ' GLU . 45.7 m-20 55.04 103.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 72.319999999999993 109.271 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 624' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -72.05 -62.75 1.32 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.566 1.166 . . . . 63.210000000000001 109.277 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 625' ' ' GLU . . . . . 0.403 ' O ' ' C ' ' B' ' 626' ' ' SER . 2.1 pt-20 -126.9 16.48 7.38 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 75.099999999999994 110.344 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 626' ' ' SER . . . . . 0.428 ' CB ' ' HB3' ' B' ' 623' ' ' ASP . 7.1 t -39.18 153.98 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 72.439999999999998 109.97 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 627' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -92.02 11.11 26.33 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.412 1.07 . . . . 61.450000000000003 109.341 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 628' ' ' GLU . . . . . . . . . . . . . 15.0 pt-20 -69.41 -14.09 62.71 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.507 1.129 . . . . 70.040000000000006 110.368 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 629' ' ' ILE . . . . . 0.489 ' C ' HD12 ' B' ' 629' ' ' ILE . 0.7 OUTLIER -93.12 30.88 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.525 1.141 . . . . 61.409999999999997 109.285 -179.977 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 630' ' ' ALA . . . . . 0.96 ' C ' HG21 ' A' ' 63' ' ' VAL . . . . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.567 1.167 . . . . 73.25 109.384 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 0' ' ' HIS . . . . . . . . . . . . . 16.0 p80 . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 109.549 -0.538 . . . . 72.510000000000005 109.549 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.3 ptp -65.61 -173.49 0.16 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.534 1.146 . . . . 71.219999999999999 111.005 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 39.0 mttm -140.2 -49.41 0.46 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.542 1.151 . . . . 64.099999999999994 109.333 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.454 ' OG ' ' CB ' ' A' ' 7' ' ' SER . 77.7 p -67.6 174.91 3.16 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 61.210000000000001 109.989 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.835 HG23 HH21 ' A' ' 47' ' ' ARG . 70.8 p -145.36 -91.74 0.1 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 74.439999999999998 110.468 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.621 ' CZ ' ' OH ' ' A' ' 9' ' ' TYR . 1.6 t80 -49.21 -28.65 4.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 75.109999999999999 110.99 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.524 ' HD3' HG21 ' A' ' 32' ' ' ILE . 21.6 mtmm -93.68 -23.59 18.18 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.556 1.16 . . . . 72.109999999999999 109.318 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.454 ' CB ' ' OG ' ' A' ' 3' ' ' SER . 0.3 OUTLIER -76.36 -12.56 60.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.142 . . . . 63.350000000000001 109.992 179.984 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.659 ' OE1' HG22 ' B' ' 611' ' ' VAL . 0.0 OUTLIER -73.4 -50.47 21.67 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.563 1.164 . . . . 75.049999999999997 110.252 -179.929 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.621 ' OH ' ' CZ ' ' A' ' 5' ' ' PHE . 0.2 OUTLIER -125.52 169.52 11.17 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 62.130000000000003 110.951 -179.928 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.424 ' N ' ' HG2' ' B' ' 609' ' ' GLN . 18.4 Cg_endo -74.99 175.91 10.6 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.586 1.835 . . . . 44.439999999999998 110.96 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.564 ' CE2' ' HB3' ' A' ' 102' ' ' ASP . 1.7 t80 -63.38 -43.98 96.04 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.526 1.141 . . . . 73.120000000000005 111.025 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 20.2 mt-10 -49.46 -22.64 1.25 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.489 1.118 . . . . 72.25 110.297 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.89 -36.29 36.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 72.310000000000002 109.315 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 1.055 HH21 HD11 ' A' ' 32' ' ' ILE . 0.1 OUTLIER -71.1 -54.77 9.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.144 . . . . 72.400000000000006 110.274 -179.931 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.419 ' HD3' ' CE1' ' A' ' 11' ' ' PHE . 16.8 pttt -53.4 -42.47 67.01 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.554 1.158 . . . . 63.020000000000003 109.359 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.407 ' N ' ' HG2' ' A' ' 15' ' ' LYS . . . -61.67 -35.34 77.68 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.538 1.149 . . . . 52.130000000000003 109.322 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 1.001 ' OE1' HG11 ' B' ' 618' ' ' VAL . 26.2 tt0 -68.21 -54.29 18.8 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.46 1.1 . . . . 64.25 110.318 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.416 ' HB3' ' CE2' ' A' ' 104' ' ' PHE . 11.2 p -59.41 -16.11 21.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 73.400000000000006 109.969 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 16.4 mm-40 -79.78 -23.92 41.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.421 1.076 . . . . 72.310000000000002 110.277 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.415 ' HG3' ' N ' ' A' ' 21' ' ' ILE . 11.4 ptt180 -101.75 -23.87 14.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 74.030000000000001 110.288 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.433 HD11 ' OE2' ' A' ' 17' ' ' GLU . 5.5 mt -63.71 -18.04 21.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.555 1.159 . . . . 70.129999999999995 109.327 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -74.89 -15.21 60.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.112 . . . . 53.32 109.319 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -105.79 -24.94 12.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.551 1.157 . . . . 74.040000000000006 109.276 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.542 ' HB3' ' CE2' ' A' ' 25' ' ' PHE . 30.1 mmm-85 -83.6 -52.58 6.34 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.556 1.16 . . . . 72.200000000000003 110.304 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.542 ' CE2' ' HB3' ' A' ' 24' ' ' ARG . 12.0 m-85 -145.34 86.06 7.69 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.149 . . . . 64.319999999999993 111.006 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.86 -26.67 11.0 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.457 1.767 . . . . 74.200000000000003 110.996 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 84.5 m-20 -92.33 41.58 1.08 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.132 . . . . 72.439999999999998 109.288 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.483 ' O ' HD13 ' A' ' 29' ' ' ILE . 1.7 mmt85 -131.22 -178.11 4.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.543 1.152 . . . . 75.129999999999995 110.304 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.483 HD13 ' O ' ' A' ' 28' ' ' ARG . 21.3 mm -141.81 102.1 5.88 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 73.209999999999994 109.272 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.593 ' HD2' ' CE2' ' A' ' 95' ' ' TYR . 18.3 Cg_endo -75.0 126.3 9.88 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.639 1.863 . . . . 64.019999999999996 110.985 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.895 ' O ' HD13 ' A' ' 32' ' ' ILE . 0.8 OUTLIER -141.42 173.37 8.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.574 1.171 . . . . 75.340000000000003 109.349 179.897 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 1.055 HD11 HH21 ' A' ' 14' ' ' ARG . 4.5 mm -142.16 111.68 2.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.576 1.173 . . . . 65.239999999999995 109.264 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.534 ' HA ' HG13 ' A' ' 107' ' ' VAL . 1.0 OUTLIER -82.44 129.59 34.93 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.534 1.146 . . . . 43.200000000000003 108.227 -179.96 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.75 ' HB3' HG23 ' A' ' 108' ' ' THR . 0.3 OUTLIER -124.82 149.64 47.23 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.485 1.116 . . . . 74.129999999999995 110.309 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.449 ' NZ ' ' O ' ' A' ' 39' ' ' SER . 7.9 tptt -91.34 124.4 35.51 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.518 1.136 . . . . 74.109999999999999 109.387 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.465 ' CB ' ' HB3' ' A' ' 110' ' ' SER . . . -59.38 169.48 1.21 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.449 1.093 . . . . 61.539999999999999 109.288 -179.907 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.44 ' CG ' ' N ' ' A' ' 38' ' ' LYS . 11.8 pt-20 -96.93 -48.88 5.25 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.435 1.085 . . . . 72.099999999999994 110.39 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.44 ' N ' ' CG ' ' A' ' 37' ' ' GLU . 0.1 OUTLIER -53.16 -46.82 69.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.142 . . . . 70.129999999999995 109.254 179.963 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.449 ' O ' ' NZ ' ' A' ' 35' ' ' LYS . 0.3 OUTLIER -59.5 158.98 8.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.575 1.172 . . . . 61.219999999999999 110.019 -179.968 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -122.93 34.29 5.18 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.47 1.106 . . . . 65.120000000000005 109.33 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.619 HD11 ' CE2' ' A' ' 109' ' ' TYR . 0.0 OUTLIER -83.54 167.38 28.94 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.5 1.125 . . . . 75.430000000000007 109.273 -179.979 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.59 ' O ' HG21 ' A' ' 68' ' ' ILE . 18.5 Cg_endo -74.95 115.0 4.16 Favored 'Trans proline' 0 C--N 1.358 1.064 0 O-C-N 124.465 1.771 . . . . 64.400000000000006 110.957 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -56.27 140.85 43.48 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.452 1.095 . . . . 74.430000000000007 110.271 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.628 HD11 ' HG3' ' A' ' 67' ' ' ARG . 12.2 tt -68.36 158.54 5.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 73.530000000000001 109.305 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 32.8 m-20 -61.06 -46.36 91.01 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.54 1.15 . . . . 74.129999999999995 109.293 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.578 ' HE3' ' CZ2' ' B' ' 621' ' ' TRP . 0.0 OUTLIER -147.83 167.75 23.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 72.310000000000002 109.372 179.911 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.835 HH21 HG23 ' A' ' 4' ' ' THR . 2.7 ptp180 -116.64 93.85 4.37 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.536 1.147 . . . . 73.310000000000002 110.248 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.562 ' HB2' ' CD2' ' A' ' 5' ' ' PHE . 12.8 tptp -166.23 93.48 0.52 Allowed 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.56 1.163 . . . . 65.409999999999997 109.188 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.678 ' HE2' HG12 ' A' ' 63' ' ' VAL . 20.2 m-85 -116.84 124.31 49.22 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.514 1.134 . . . . 72.340000000000003 110.997 179.904 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.417 ' HA ' HD13 ' A' ' 50' ' ' LEU . 0.0 OUTLIER -109.4 76.88 1.02 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 74.329999999999998 109.204 -179.909 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.924 HG21 ' SD ' ' A' ' 91' ' ' MET . 5.7 m -76.64 145.49 75.16 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.494 1.121 . . . . 63.399999999999999 109.262 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.9 -177.66 3.6 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.538 1.809 . . . . 72.439999999999998 111.027 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -92.02 18.7 7.59 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.513 1.133 . . . . 72.450000000000003 109.262 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.79 ' O ' HD11 ' A' ' 90' ' ' LEU . 21.9 t0 -118.89 -37.8 3.18 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.461 1.101 . . . . 72.409999999999997 109.29 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 1.038 HD23 ' HB1' ' B' ' 630' ' ' ALA . 0.0 OUTLIER -59.98 132.13 53.0 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.46 1.1 . . . . 73.349999999999994 109.242 -179.949 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.603 ' N ' HD12 ' A' ' 55' ' ' LEU . 9.1 p -92.79 -161.39 0.83 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.152 . . . . 33.539999999999999 110.387 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 2.9 t -86.76 -59.46 2.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 60.439999999999998 109.314 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -59.63 -13.91 26.33 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.478 1.111 . . . . 73.230000000000004 110.964 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.504 ' CB ' ' CD1' ' A' ' 55' ' ' LEU . 31.7 mt-30 -97.07 -27.39 14.61 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.485 0.756 . . . . 74.530000000000001 110.302 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.687 ' CD1' HG11 ' A' ' 51' ' ' VAL . 68.4 t80 -70.18 -41.03 74.28 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.44 1.087 . . . . 73.030000000000001 111.053 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.663 HG13 ' CG2' ' A' ' 76' ' ' ILE . 65.7 t -48.73 -47.23 15.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 O-C-N 124.571 1.17 . . . . 73.010000000000005 109.31 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.509 ' C ' ' CD1' ' A' ' 62' ' ' TYR . 0.1 OUTLIER -44.19 -33.71 1.62 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.531 1.145 . . . . 74.540000000000006 110.923 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.995 HG21 ' C ' ' B' ' 630' ' ' ALA . 88.9 t -73.83 -40.25 53.1 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 O-C-N 124.541 1.15 . . . . 65.319999999999993 109.286 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.559 HD11 ' CZ ' ' A' ' 60' ' ' PHE . 14.2 mm -67.31 -31.85 54.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.553 1.158 . . . . 74.049999999999997 109.322 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 5.5 tpp85 -80.43 -3.49 50.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 63.25 110.277 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -89.9 -50.83 5.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.152 . . . . 71.450000000000003 109.31 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.628 ' HG3' HD11 ' A' ' 44' ' ' ILE . 6.9 mmp_? -50.41 -65.68 0.52 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.449 1.093 . . . . 74.150000000000006 110.288 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.59 HG21 ' O ' ' A' ' 42' ' ' PRO . 5.6 pt -75.06 -3.3 4.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 74.209999999999994 109.215 -179.907 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.492 ' CG ' ' O ' ' A' ' 68' ' ' ILE . 10.6 ptp 43.47 38.41 1.79 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.434 1.083 . . . . 64.340000000000003 111.018 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.522 HD12 ' HA ' ' A' ' 70' ' ' LEU . 5.1 tp -50.97 140.97 19.63 Favored Pre-proline 0 C--N 1.324 -0.526 0 O-C-N 124.513 1.133 . . . . 62.43 109.265 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' ' 70' ' ' LEU . 18.0 Cg_endo -75.11 169.49 22.46 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.527 1.804 . . . . 75.310000000000002 111.005 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 -0.05 9.48 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.553 1.817 . . . . 73.310000000000002 111.054 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -91.69 -19.39 22.69 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.465 1.103 . . . . 75.109999999999999 110.246 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.498 ' NZ ' HD11 ' A' ' 70' ' ' LEU . 1.2 mttp -99.27 -178.96 4.08 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.627 1.204 . . . . 74.239999999999995 109.316 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -138.44 163.54 31.66 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.146 . . . . 54.009999999999998 109.337 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.663 ' CG2' HG13 ' A' ' 61' ' ' VAL . 1.6 tt -156.84 115.21 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.423 1.077 . . . . 71.129999999999995 109.342 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 77.1 m-85 -114.22 141.81 47.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.541 1.151 . . . . 70.230000000000004 110.991 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.601 ' CG1' HG22 ' A' ' 61' ' ' VAL . 2.5 mm -84.88 156.86 3.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.446 1.091 . . . . 70.040000000000006 109.33 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -149.34 128.51 12.81 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.102 . . . . 63.119999999999997 111.044 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.568 ' O ' HG22 ' A' ' 83' ' ' THR . 2.6 t -133.13 119.62 36.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.476 1.11 . . . . 75.209999999999994 109.322 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' ASN . . . . . 0.481 ' O ' ' CB ' ' A' ' 82' ' ' ASP . 2.6 m120 62.4 20.32 11.77 Favored 'General case' 0 C--N 1.327 -0.408 0 O-C-N 124.503 1.127 . . . . 74.420000000000002 109.324 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' ASP . . . . . 0.481 ' CB ' ' O ' ' A' ' 81' ' ' ASN . 4.3 t70 80.48 23.18 0.39 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 75.129999999999995 109.245 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.568 HG22 ' O ' ' A' ' 80' ' ' VAL . 0.7 OUTLIER -130.97 137.23 49.15 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.534 1.146 . . . . 74.25 110.436 179.944 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.493 ' CD1' ' O ' ' A' ' 78' ' ' ILE . 0.2 OUTLIER -91.58 112.42 54.29 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.55 1.157 . . . . 64.219999999999999 109.332 -179.989 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.09 162.6 36.64 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.432 1.754 . . . . 73.140000000000001 110.943 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' PRO . . . . . 0.748 ' HD2' ' HB2' ' A' ' 89' ' ' ALA . 18.5 Cg_endo -74.9 -176.68 2.98 Favored 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.544 1.813 . . . . 70.439999999999998 111.1 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 2.2 p -84.52 -32.41 23.92 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.464 1.103 . . . . 62.409999999999997 110.381 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -85.02 9.87 13.46 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.47 1.106 . . . . 71.439999999999998 109.322 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 1.053 ' HB1' HD11 ' A' ' 94' ' ' ILE . . . -76.0 60.66 1.43 Allowed 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.484 1.115 . . . . 73.430000000000007 109.28 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.79 HD11 ' O ' ' A' ' 54' ' ' ASP . 0.0 OUTLIER -30.41 118.66 0.17 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 71.209999999999994 109.306 180.0 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 91' ' ' MET . . . . . 0.924 ' SD ' HG21 ' A' ' 51' ' ' VAL . 0.3 OUTLIER -39.45 -27.95 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 71.209999999999994 110.999 -179.979 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 92' ' ' SER . . . . . 0.449 ' N ' ' O ' ' A' ' 90' ' ' LEU . 2.8 t -67.42 -57.05 7.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 61.219999999999999 110.03 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -62.75 -13.22 30.19 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.54 1.15 . . . . 70.439999999999998 109.302 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 1.053 HD11 ' HB1' ' A' ' 89' ' ' ALA . 34.9 mm -87.61 -42.35 15.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.447 1.092 . . . . 61.530000000000001 109.298 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 95' ' ' TYR . . . . . 0.855 ' CD2' HD23 ' A' ' 105' ' ' LEU . 10.0 t80 -77.41 -5.19 48.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 52.140000000000001 110.959 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 96' ' ' GLN . . . . . 0.455 ' O ' ' CG ' ' A' ' 96' ' ' GLN . 1.7 tt0 -102.47 -9.94 19.81 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.536 1.148 . . . . 73.329999999999998 110.299 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -120.44 -7.26 9.74 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.557 1.161 . . . . 70.129999999999995 110.382 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 98' ' ' HIS . . . . . 0.451 ' HB2' HD11 ' A' ' 105' ' ' LEU . 32.6 m170 -128.76 17.56 6.29 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.486 1.116 . . . . 62.030000000000001 109.613 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.488 ' HB3' ' O ' ' A' ' 95' ' ' TYR . 0.1 OUTLIER -59.74 155.77 15.29 Favored 'General case' 0 C--N 1.326 -0.413 0 O-C-N 124.453 1.096 . . . . 60.420000000000002 109.248 -179.946 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -128.53 177.05 7.28 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.409 1.068 . . . . 64.510000000000005 109.29 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 24.1 mtmm -57.16 -49.63 75.37 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 74.239999999999995 109.354 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' ASP . . . . . 0.564 ' HB3' ' CE2' ' A' ' 11' ' ' PHE . 0.2 OUTLIER -62.34 -14.42 39.44 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.456 1.097 . . . . 52.350000000000001 109.249 179.985 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 103' ' ' GLY . . . . . 0.403 ' O ' ' CZ ' ' A' ' 95' ' ' TYR . . . 87.25 -39.25 3.11 Favored Glycine 0 CA--C 1.532 1.109 0 O-C-N 124.514 1.134 . . . . 42.140000000000001 110.98 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 104' ' ' PHE . . . . . 0.677 ' CE1' ' NH2' ' A' ' 14' ' ' ARG . 23.8 m-85 -62.23 145.82 52.54 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.564 0.802 . . . . 73.230000000000004 110.942 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.855 HD23 ' CD2' ' A' ' 95' ' ' TYR . 0.2 OUTLIER -84.62 147.13 27.13 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.407 1.067 . . . . 74.420000000000002 109.271 -179.958 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 50.4 m-85 -121.94 91.9 3.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 64.400000000000006 111.015 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.553 HG22 ' N ' ' A' ' 108' ' ' THR . 8.1 p -98.59 169.72 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.521 1.138 . . . . 71.319999999999993 109.345 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 108' ' ' THR . . . . . 0.75 HG23 ' HB3' ' A' ' 34' ' ' GLU . 0.2 OUTLIER -148.18 134.95 19.98 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.428 1.08 . . . . 74.209999999999994 110.4 -179.905 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 109' ' ' TYR . . . . . 0.619 ' CE2' HD11 ' A' ' 41' ' ' ILE . 27.8 p90 -119.8 129.74 54.59 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.586 1.179 . . . . 63.539999999999999 110.991 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 110' ' ' SER . . . . . 0.465 ' HB3' ' CB ' ' A' ' 36' ' ' ALA . 25.4 p -128.89 142.21 51.03 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.483 1.114 . . . . 73.5 110.024 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 111' ' ' GLY . . . . . 0.438 ' N ' HG21 ' A' ' 41' ' ' ILE . . . -63.81 -11.6 44.12 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.511 1.132 . . . . 54.340000000000003 110.998 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 20.6 pt-20 -111.54 161.88 15.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 0.766 . . . . 65.25 110.303 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 49.9 t30 -117.07 42.41 2.53 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.132 . . . . 71.129999999999995 109.292 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 114' ' ' THR . . . . . 0.512 HG22 ' H ' ' A' ' 115' ' ' PHE . 4.3 m -112.0 177.29 4.69 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.545 1.153 . . . . 73.219999999999999 110.292 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 115' ' ' PHE . . . . . 0.512 ' H ' HG22 ' A' ' 114' ' ' THR . 3.6 p90 -136.98 104.76 5.55 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.496 1.122 . . . . 74.329999999999998 111.047 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.963 0 O-C-N 124.464 1.103 . . . . 63.520000000000003 111.11 -179.857 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 597' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.027 0 N-CA-C 110.965 -0.854 . . . . 75.340000000000003 110.965 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 598' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 179.17 6.34 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.501 1.79 . . . . 62.549999999999997 111.009 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 599' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -75.15 140.34 43.3 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.46 1.1 . . . . 61.329999999999998 109.597 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 600' ' ' MET . . . . . . . . . . . . . 20.9 mtm -144.15 162.83 35.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.135 . . . . 71.310000000000002 110.989 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 601' ' ' ILE . . . . . . . . . . . . . 18.5 mt -95.91 155.41 3.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.547 1.155 . . . . 72.439999999999998 109.246 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 602' ' ' SER . . . . . . . . . . . . . 5.2 m -64.15 -63.58 1.11 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 55.439999999999998 109.96 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 603' ' ' GLY . . . . . 0.484 ' O ' ' C ' ' B' ' 604' ' ' LEU . . . 48.76 -155.96 1.44 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.553 1.158 . . . . 71.310000000000002 111.008 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 604' ' ' LEU . . . . . 0.484 ' C ' ' O ' ' B' ' 603' ' ' GLY . 0.2 OUTLIER 34.02 37.55 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.56 0.8 . . . . 63.329999999999998 109.313 179.978 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 605' ' ' SER . . . . . 0.455 ' N ' ' O ' ' B' ' 603' ' ' GLY . 54.7 p -87.31 -15.84 36.84 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.13 . . . . 73.049999999999997 110.003 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 606' ' ' VAL . . . . . . . . . . . . . 67.0 t -93.81 156.14 3.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 74.109999999999999 109.318 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 607' ' ' ILE . . . . . . . . . . . . . 18.8 mt -76.94 154.36 5.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.418 1.074 . . . . 71.450000000000003 109.265 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 608' ' ' LYS . . . . . 0.517 ' CD ' ' N ' ' B' ' 608' ' ' LYS . 0.0 OUTLIER -172.77 139.69 0.92 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.557 1.16 . . . . 71.519999999999996 109.291 -179.977 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 609' ' ' GLN . . . . . 0.442 ' CD ' ' N ' ' B' ' 609' ' ' GLN . 2.7 mp0 -115.93 127.86 55.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.552 1.157 . . . . 75.510000000000005 110.368 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 610' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -84.75 -178.96 7.0 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.474 1.109 . . . . 74.310000000000002 110.29 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 611' ' ' VAL . . . . . 0.659 HG22 ' OE1' ' A' ' 8' ' ' GLU . 37.8 t -133.5 134.05 57.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.432 1.082 . . . . 74.530000000000001 109.29 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 612' ' ' GLU . . . . . 0.433 ' HG3' ' CG ' ' B' ' 613' ' ' ARG . 7.2 pt-20 -130.93 -53.92 1.05 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.584 1.178 . . . . 72.219999999999999 110.357 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 613' ' ' ARG . . . . . 0.433 ' CG ' ' HG3' ' B' ' 612' ' ' GLU . 0.6 OUTLIER -137.37 -45.3 0.55 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.137 . . . . 71.310000000000002 110.307 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 614' ' ' LEU . . . . . 0.685 HD21 ' CZ3' ' B' ' 621' ' ' TRP . 5.0 mp -84.96 179.36 7.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 75.010000000000005 109.323 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 615' ' ' GLY . . . . . 0.416 ' N ' ' HG3' ' B' ' 620' ' ' GLU . . . -177.48 -116.99 0.5 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.506 1.129 . . . . 55.229999999999997 111.009 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 616' ' ' ASN . . . . . 0.404 ' C ' ' O ' ' B' ' 615' ' ' GLY . 8.6 t30 -39.7 -87.73 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.508 0.77 . . . . 73.319999999999993 109.285 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 617' ' ' ASP . . . . . 0.436 ' N ' ' OE2' ' B' ' 620' ' ' GLU . 19.8 t0 -67.92 169.42 9.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 64.209999999999994 109.271 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 618' ' ' VAL . . . . . 1.001 HG11 ' OE1' ' A' ' 17' ' ' GLU . 4.1 m -89.74 15.86 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.427 1.079 . . . . 73.239999999999995 109.332 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 619' ' ' PHE . . . . . 0.575 ' CD1' ' O ' ' B' ' 618' ' ' VAL . 34.0 m-85 -151.54 90.94 1.61 Allowed 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.45 1.094 . . . . 72.230000000000004 110.966 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 620' ' ' GLU . . . . . 0.502 ' CG ' ' HA ' ' B' ' 614' ' ' LEU . 0.7 OUTLIER -112.99 -0.18 14.85 Favored 'General case' 0 C--N 1.327 -0.394 0 O-C-N 124.44 1.088 . . . . 53.420000000000002 110.315 179.961 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 621' ' ' TRP . . . . . 0.685 ' CZ3' HD21 ' B' ' 614' ' ' LEU . 5.4 p90 -113.7 -168.77 1.39 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.564 1.165 . . . . 73.319999999999993 107.934 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 622' ' ' GLU . . . . . 0.586 ' O ' ' CD1' ' B' ' 621' ' ' TRP . 1.2 pm0 -75.47 140.26 42.75 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.599 1.187 . . . . 64.150000000000006 110.358 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 623' ' ' ASP . . . . . 0.447 ' CB ' ' O ' ' B' ' 622' ' ' GLU . 2.8 m-20 77.51 91.81 0.07 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.552 1.158 . . . . 72.319999999999993 109.342 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 624' ' ' ASP . . . . . 0.469 ' CG ' ' N ' ' B' ' 625' ' ' GLU . 0.9 OUTLIER -89.49 -48.65 7.18 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.466 1.104 . . . . 63.210000000000001 109.279 -179.926 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 625' ' ' GLU . . . . . 0.469 ' N ' ' CG ' ' B' ' 624' ' ' ASP . 0.8 OUTLIER -127.86 3.23 6.0 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.489 1.118 . . . . 75.099999999999994 110.327 179.982 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 626' ' ' SER . . . . . 0.492 ' O ' HD11 ' B' ' 629' ' ' ILE . 0.2 OUTLIER -35.15 151.17 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.607 1.192 . . . . 72.439999999999998 109.937 -179.967 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 627' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -87.05 13.34 9.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 61.450000000000003 109.255 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 628' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -82.54 -0.38 46.45 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.547 1.154 . . . . 70.040000000000006 110.274 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 629' ' ' ILE . . . . . 0.492 HD11 ' O ' ' B' ' 626' ' ' SER . 1.1 pp -103.42 15.07 6.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.456 1.097 . . . . 61.409999999999997 109.327 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 630' ' ' ALA . . . . . 1.038 ' HB1' HD23 ' A' ' 55' ' ' LEU . . . . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 73.25 109.268 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.2 p . . . . . 0 N--CA 1.452 -0.352 0 N-CA-C 110.455 -0.202 . . . . 74.44 110.455 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . 0.617 ' CE1' ' OH ' ' A' ' 9' ' ' TYR . 8.6 t80 -59.4 -22.85 62.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 75.11 111.047 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 8.6 tmtt? -100.63 -11.88 19.66 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 72.11 109.283 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 16.5 t -88.81 -31.36 18.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.444 1.09 . . . . 63.35 110.01 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . 0.542 ' HB3' ' CD1' ' A' ' 9' ' ' TYR . 51.5 tt0 -45.46 -49.39 13.5 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.444 1.09 . . . . 75.05 110.342 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . 0.617 ' OH ' ' CE1' ' A' ' 5' ' ' PHE . 0.2 OUTLIER -122.47 168.99 10.45 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.11 . . . . 62.13 110.971 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -179.52 5.07 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.443 1.76 . . . . 44.44 110.952 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.486 ' CE2' ' HB3' ' A' ' 102' ' ' ASP . 5.3 t80 -65.14 -54.16 33.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 73.12 110.987 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -43.96 -26.51 0.28 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.474 1.109 . . . . 72.25 110.266 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.404 ' HB2' ' NZ ' ' A' ' 13' ' ' LYS . 0.0 OUTLIER -70.72 -46.23 63.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 72.31 109.28 -179.955 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.721 ' NH1' HD11 ' A' ' 32' ' ' ILE . 0.0 OUTLIER -63.0 -56.99 12.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.151 . . . . 72.4 110.309 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 2.1 pttt -47.83 -39.98 19.97 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.47 1.106 . . . . 63.02 109.282 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -67.89 -33.9 75.61 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.532 1.145 . . . . 52.13 109.308 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.443 ' N ' ' O ' ' A' ' 14' ' ' ARG . 19.0 tp10 -67.16 -49.48 64.6 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.12 . . . . 64.25 110.334 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 81.1 p -63.38 -23.72 67.53 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.109 . . . . 73.4 109.998 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -67.99 -22.96 64.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.435 1.085 . . . . 72.31 110.268 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 37.9 mtp180 -100.94 -36.73 8.93 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.472 1.107 . . . . 74.03 110.374 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.553 HD12 ' HZ ' ' A' ' 104' ' ' PHE . 7.9 mt -61.04 -17.31 15.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.576 1.172 . . . . 70.13 109.32 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -79.06 -23.0 44.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 53.32 109.338 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -101.11 -5.52 25.58 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.443 1.09 . . . . 74.04 109.227 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.571 ' HB3' ' CD2' ' A' ' 25' ' ' PHE . 11.3 mtp180 -101.93 -59.01 1.77 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 72.2 110.3 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.571 ' CD2' ' HB3' ' A' ' 24' ' ' ARG . 46.7 m-85 -131.98 89.88 37.13 Favored Pre-proline 0 C--N 1.324 -0.527 0 O-C-N 124.506 1.129 . . . . 64.32 111.014 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -27.59 9.84 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.462 1.769 . . . . 74.2 111.008 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 92.3 m-20 -93.53 41.27 1.08 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 72.44 109.311 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.453 ' CG ' ' HB3' ' A' ' 25' ' ' PHE . 1.5 mmt-85 -128.76 169.27 14.72 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.509 1.131 . . . . 75.13 110.293 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.522 HG23 ' CB ' ' A' ' 95' ' ' TYR . 34.5 mm -134.48 96.48 15.27 Favored Pre-proline 0 C--N 1.324 -0.543 0 O-C-N 124.497 1.123 . . . . 73.21 109.357 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.594 ' HD2' ' CE2' ' A' ' 95' ' ' TYR . 18.3 Cg_endo -74.96 122.98 7.57 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.485 1.781 . . . . 64.02 110.968 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.468 HG13 HG22 ' A' ' 51' ' ' VAL . 0.8 OUTLIER -137.36 173.47 13.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.457 1.098 . . . . 75.34 109.358 179.962 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.721 HD11 ' NH1' ' A' ' 14' ' ' ARG . 7.5 mm -137.28 108.78 6.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.569 1.168 . . . . 65.24 109.312 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.551 ' HA ' HG13 ' A' ' 107' ' ' VAL . 2.7 t -78.81 133.19 37.07 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.561 1.163 . . . . 43.2 108.262 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.944 ' HB3' HG23 ' A' ' 108' ' ' THR . 4.9 tm-20 -138.23 161.46 36.82 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 74.13 110.37 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.566 ' HZ3' ' CA ' ' A' ' 43' ' ' GLU . 0.0 OUTLIER -115.96 127.75 55.21 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.436 1.085 . . . . 74.11 109.276 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -59.58 156.11 14.12 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.558 1.161 . . . . 61.54 109.376 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.423 ' CG ' ' N ' ' A' ' 38' ' ' LYS . 12.6 pt-20 -77.38 -48.56 16.97 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.134 . . . . 72.1 110.312 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.423 ' N ' ' CG ' ' A' ' 37' ' ' GLU . 33.1 mttp -53.11 -40.18 63.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 70.13 109.312 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.4 ' O ' ' O ' ' A' ' 38' ' ' LYS . 6.5 t -41.18 161.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 61.22 109.992 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 71.5 m-20 -118.24 -4.74 10.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 65.12 109.311 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.548 HD11 ' CE2' ' A' ' 109' ' ' TYR . 0.1 OUTLIER -75.39 166.84 42.04 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.517 1.136 . . . . 75.43 109.23 -179.928 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 131.08 13.81 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.553 1.817 . . . . 64.4 111.032 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.566 ' CA ' ' HZ3' ' A' ' 35' ' ' LYS . 30.8 tt0 -69.45 146.98 51.55 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.516 1.135 . . . . 74.43 110.313 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.515 ' CD1' ' OH ' ' A' ' 49' ' ' TYR . 14.2 tt -64.4 171.54 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.577 1.173 . . . . 73.53 109.31 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -79.1 -41.12 29.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.537 1.148 . . . . 74.13 109.262 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.422 ' CD ' ' C ' ' A' ' 46' ' ' LYS . 0.0 OUTLIER -153.71 159.51 42.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 72.31 109.313 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.571 ' HB3' HG22 ' A' ' 32' ' ' ILE . 7.0 mtp180 -105.13 95.56 5.93 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.453 1.095 . . . . 73.31 110.289 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.528 ' HD3' ' CZ ' ' A' ' 5' ' ' PHE . 2.1 tptt -165.44 105.92 0.75 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.116 . . . . 65.41 109.274 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.613 ' HE2' HG12 ' A' ' 63' ' ' VAL . 15.4 m-85 -135.18 116.93 15.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 72.34 110.963 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.521 HD12 ' NZ ' ' A' ' 48' ' ' LYS . 0.3 OUTLIER -104.08 77.88 1.47 Allowed 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.503 1.127 . . . . 74.33 109.296 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.664 HG11 ' HD1' ' A' ' 60' ' ' PHE . 14.0 m -77.8 150.7 78.92 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.591 1.182 . . . . 63.4 109.312 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.01 -179.46 5.01 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.492 1.785 . . . . 72.44 111.02 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -93.77 17.9 11.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.146 . . . . 72.45 109.392 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -118.81 -38.19 3.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.545 1.153 . . . . 72.41 109.276 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.427 ' HG ' ' CB ' ' A' ' 59' ' ' GLN . 1.1 tp -58.38 135.79 57.29 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.484 1.115 . . . . 73.35 109.297 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.515 HG23 HE21 ' A' ' 59' ' ' GLN . 1.2 p -93.75 -173.45 3.16 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.144 . . . . 33.54 110.347 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 2.4 t -72.69 -49.83 38.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.527 1.142 . . . . 60.44 109.29 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -65.25 -9.61 43.25 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.502 1.126 . . . . 73.23 111.001 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . 0.515 HE21 HG23 ' A' ' 56' ' ' THR . 7.8 mt-30 -95.94 -26.55 15.54 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.458 0.74 . . . . 74.53 110.317 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.664 ' HD1' HG11 ' A' ' 51' ' ' VAL . 77.1 t80 -71.42 -50.22 34.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 73.03 111.002 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.746 HG22 ' CG1' ' A' ' 78' ' ' ILE . 59.7 t -40.57 -49.82 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 73.01 109.303 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -44.2 -44.12 7.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 74.54 111.042 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.748 HG21 ' HA ' ' B' ' 630' ' ' ALA . 57.1 t -61.76 -36.63 74.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.13 . . . . 65.32 109.298 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.61 ' N ' HD13 ' A' ' 64' ' ' ILE . 2.5 mm -71.61 -40.12 70.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.41 1.068 . . . . 74.05 109.301 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 5.5 tpp85 -70.59 -5.36 28.65 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.503 1.127 . . . . 63.25 110.339 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 3.0 mttm -90.81 -48.97 6.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 71.45 109.332 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . 0.443 ' NE ' ' HA ' ' A' ' 67' ' ' ARG . 6.6 mmp_? -54.44 -65.16 0.62 Allowed 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.546 1.154 . . . . 74.15 110.237 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.494 ' O ' ' CG ' ' A' ' 69' ' ' MET . 6.5 pt -74.08 -4.09 5.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 74.21 109.312 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . 0.494 ' CG ' ' O ' ' A' ' 68' ' ' ILE . 8.7 ptp 43.32 39.24 2.0 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 64.34 110.952 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.533 HD12 ' HA ' ' A' ' 70' ' ' LEU . 5.6 tp -54.11 140.62 52.41 Favored Pre-proline 0 C--N 1.324 -0.527 0 O-C-N 124.523 1.139 . . . . 62.43 109.3 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.421 ' HD3' ' HA ' ' A' ' 70' ' ' LEU . 18.3 Cg_endo -75.06 167.02 27.9 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.521 1.801 . . . . 75.31 111.002 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.91 0.7 8.54 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.474 1.776 . . . . 73.31 111.04 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -96.2 -1.19 48.79 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.476 1.11 . . . . 75.11 110.246 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -112.48 179.78 3.89 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.127 . . . . 74.24 109.35 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -134.51 154.62 51.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 54.01 109.303 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.685 HD11 ' CD2' ' A' ' 109' ' ' TYR . 1.1 tt -152.44 117.71 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.104 . . . . 71.13 109.283 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 63.9 m-85 -116.74 141.41 48.24 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 70.23 111.011 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.746 ' CG1' HG22 ' A' ' 61' ' ' VAL . 3.0 mm -85.04 157.22 3.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 70.04 109.266 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . 0.445 ' N ' ' O ' ' A' ' 108' ' ' THR . 5.0 m-85 -151.21 123.62 8.37 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.443 1.089 . . . . 63.12 110.953 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.728 ' O ' HG22 ' A' ' 83' ' ' THR . 2.0 t -126.57 105.95 14.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.445 1.091 . . . . 75.21 109.295 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . 0.54 ' ND2' ' CE1' ' A' ' 98' ' ' HIS . 3.1 m-80 71.36 21.6 4.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.453 1.095 . . . . 74.42 109.29 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . 0.496 ' CB ' ' O ' ' A' ' 81' ' ' ASN . 9.0 t0 81.92 21.88 0.29 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.562 1.164 . . . . 75.13 109.293 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . 0.728 HG22 ' O ' ' A' ' 80' ' ' VAL . 1.1 t -124.58 141.31 52.19 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.456 1.098 . . . . 74.25 110.392 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.448 ' CD1' ' O ' ' A' ' 78' ' ' ILE . 0.2 OUTLIER -101.32 107.91 52.78 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.482 1.113 . . . . 64.22 109.27 -179.934 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 163.38 35.35 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.497 1.788 . . . . 73.14 110.992 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . 0.766 ' HG2' ' HB2' ' A' ' 89' ' ' ALA . 18.4 Cg_endo -74.98 -168.21 0.49 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.486 1.782 . . . . 70.44 111.044 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 2.6 p -96.43 -35.22 11.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 62.41 110.402 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -83.82 6.95 19.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 71.44 109.282 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 1.031 ' HB1' HD11 ' A' ' 94' ' ' ILE . . . -76.34 60.77 1.58 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.533 1.146 . . . . 73.43 109.233 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.601 ' C ' ' O ' ' A' ' 89' ' ' ALA . 0.4 OUTLIER -23.86 123.31 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.45 1.094 . . . . 71.21 109.235 179.923 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' MET . . . . . 0.402 ' HE2' HG21 ' A' ' 51' ' ' VAL . 40.8 mmm -51.62 -20.22 1.9 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.521 1.138 . . . . 71.21 110.931 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 6.6 t -69.81 -45.63 67.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 61.22 110.048 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -78.25 -8.46 58.38 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.119 . . . . 70.44 109.35 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 1.031 HD11 ' HB1' ' A' ' 89' ' ' ALA . 21.9 mm -87.03 -48.4 15.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 61.53 109.304 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' TYR . . . . . 0.82 ' CD2' HD23 ' A' ' 105' ' ' LEU . 4.1 t80 -70.52 -6.19 34.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 52.14 111.035 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . 0.415 ' O ' ' CG ' ' A' ' 96' ' ' GLN . 27.2 tp60 -95.86 -12.74 24.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.441 1.088 . . . . 73.33 110.298 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -121.78 -6.14 9.1 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.467 1.105 . . . . 70.13 110.312 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . 0.7 ' HB2' HD11 ' A' ' 105' ' ' LEU . 14.3 m-70 -121.29 14.44 11.26 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.542 1.151 . . . . 62.03 109.584 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.519 ' HB3' ' O ' ' A' ' 95' ' ' TYR . 0.0 OUTLIER -70.61 157.04 38.64 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.469 1.105 . . . . 60.42 109.278 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . 0.448 ' O ' ' N ' ' A' ' 103' ' ' GLY . 0.4 OUTLIER -130.88 173.61 10.79 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.494 1.121 . . . . 64.51 109.257 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 43.6 mtmt -48.64 -41.1 30.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 74.24 109.283 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . 0.486 ' HB3' ' CE2' ' A' ' 11' ' ' PHE . 0.3 OUTLIER -63.5 -32.25 73.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.452 1.095 . . . . 52.35 109.314 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 100' ' ' ASP . . . 101.56 -39.44 2.75 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.504 1.128 . . . . 42.14 111.031 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . 0.654 ' CE2' ' NH2' ' A' ' 14' ' ' ARG . 21.2 m-85 -68.09 145.56 54.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 0.767 . . . . 73.23 111.002 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.82 HD23 ' CD2' ' A' ' 95' ' ' TYR . 0.2 OUTLIER -80.28 162.47 24.57 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.402 1.064 . . . . 74.42 109.256 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 31.0 m-85 -140.98 88.64 2.19 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 64.4 110.99 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . 0.551 HG13 ' HA ' ' A' ' 33' ' ' CYS . 9.9 p -94.05 169.06 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.514 1.134 . . . . 71.32 109.274 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . 0.944 HG23 ' HB3' ' A' ' 34' ' ' GLU . 0.2 OUTLIER -153.88 130.78 10.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 74.21 110.422 -179.952 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' TYR . . . . . 0.685 ' CD2' HD11 ' A' ' 76' ' ' ILE . 45.3 p90 -114.42 143.66 44.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.594 1.184 . . . . 63.54 110.972 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 18.8 t -146.79 141.93 27.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 73.5 110.018 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -64.33 -10.43 41.92 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.528 1.142 . . . . 54.34 110.991 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -110.92 130.92 55.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.413 0.714 . . . . 65.25 110.284 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . 0.4 ' CG ' ' O ' ' A' ' 113' ' ' ASN . 46.1 t-20 . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.544 1.153 . . . . 71.13 109.279 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 629' ' ' ILE . . . . . 0.543 ' C ' HD12 ' B' ' 629' ' ' ILE . 1.3 pp . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.262 -0.644 . . . . 61.41 109.262 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 630' ' ' ALA . . . . . 0.748 ' HA ' HG21 ' A' ' 63' ' ' VAL . . . . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 73.25 109.288 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.442 ' OG1' ' N ' ' A' ' 5' ' ' PHE . 69.9 p . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 110.441 -0.207 . . . . 74.44 110.441 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . 0.603 ' CE2' ' OH ' ' A' ' 9' ' ' TYR . 56.1 t80 -52.74 -26.33 13.79 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.504 1.127 . . . . 75.11 111.039 179.895 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.441 ' HE3' ' CE1' ' A' ' 106' ' ' TYR . 29.0 tttm -100.72 -20.6 15.52 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.593 1.183 . . . . 72.11 109.358 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 39.1 t -83.09 5.12 23.55 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.539 1.149 . . . . 63.35 110.043 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -90.49 -64.1 1.18 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.642 1.214 . . . . 75.05 110.292 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . 0.603 ' OH ' ' CE2' ' A' ' 5' ' ' PHE . 22.3 p90 -105.84 164.19 15.52 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.613 1.196 . . . . 62.13 111.012 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 171.16 18.86 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.486 1.782 . . . . 44.44 110.989 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.578 ' CE2' ' HB3' ' A' ' 102' ' ' ASP . 2.3 t80 -58.5 -34.88 71.43 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.585 1.178 . . . . 73.12 110.983 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -62.72 -12.32 23.1 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.517 1.136 . . . . 72.25 110.25 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.573 ' HB3' ' CD2' ' A' ' 9' ' ' TYR . 0.0 OUTLIER -93.75 -15.01 25.62 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.486 1.116 . . . . 72.31 109.388 179.983 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.594 ' NH2' ' CE2' ' A' ' 5' ' ' PHE . 3.9 ttm105 -97.32 -39.59 9.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 72.4 110.322 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 27.6 pttt -64.57 -38.8 92.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 63.02 109.26 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -77.81 -14.94 59.42 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.499 1.124 . . . . 52.13 109.236 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 77.3 tt0 -75.43 -48.5 22.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 64.25 110.311 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.1 -9.92 55.08 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.408 1.067 . . . . 73.4 110.109 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 -73.03 -25.86 61.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 72.31 110.243 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.405 ' HG3' ' N ' ' A' ' 21' ' ' ILE . 3.7 ptp180 -100.57 -32.54 10.72 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.532 1.145 . . . . 74.03 110.253 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.405 ' N ' ' HG3' ' A' ' 20' ' ' ARG . 4.8 mt -66.83 -17.53 22.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 70.13 109.32 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -76.61 -17.63 59.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 53.32 109.213 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -105.66 -16.82 14.59 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 74.04 109.315 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 2.8 mmm180 -95.34 -60.73 1.61 Allowed 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.463 1.102 . . . . 72.2 110.328 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.431 ' HB3' ' CG ' ' A' ' 28' ' ' ARG . 4.0 m-85 -122.11 80.74 43.65 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.561 1.163 . . . . 64.32 111.024 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 -32.05 5.82 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.427 1.751 . . . . 74.2 111.024 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 12.5 m-20 -91.28 39.07 0.99 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.436 1.085 . . . . 72.44 109.315 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.511 ' NH1' HD23 ' A' ' 50' ' ' LEU . 9.1 mmt85 -127.45 174.91 8.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 75.13 110.377 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.429 HG23 ' CB ' ' A' ' 95' ' ' TYR . 30.5 mm -137.11 99.39 9.97 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.127 . . . . 73.21 109.262 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.6 ' HD2' ' CE2' ' A' ' 95' ' ' TYR . 18.2 Cg_endo -75.06 118.9 5.41 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.425 1.75 . . . . 64.02 110.973 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.714 ' O ' HD13 ' A' ' 32' ' ' ILE . 1.4 m -134.11 172.15 16.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.466 1.104 . . . . 75.34 109.266 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.714 HD13 ' O ' ' A' ' 31' ' ' VAL . 5.0 mm -140.97 107.52 2.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.559 1.162 . . . . 65.24 109.278 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.471 ' HG ' ' HD1' ' A' ' 109' ' ' TYR . 1.0 OUTLIER -92.44 136.36 33.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.545 1.153 . . . . 43.2 108.264 -179.961 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.895 ' CB ' HH21 ' A' ' 47' ' ' ARG . 8.4 tm-20 -140.27 153.3 46.45 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.568 1.167 . . . . 74.13 110.302 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.444 ' NZ ' ' O ' ' A' ' 39' ' ' SER . 0.0 OUTLIER -82.89 128.03 34.05 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.58 1.175 . . . . 74.11 109.327 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.556 ' HB3' ' HB2' ' A' ' 110' ' ' SER . . . -76.87 112.08 13.09 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.467 1.105 . . . . 61.54 109.258 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.47 ' CG ' ' N ' ' A' ' 38' ' ' LYS . 14.1 pt-20 -42.6 -48.37 5.4 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.505 1.128 . . . . 72.1 110.299 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.47 ' N ' ' CG ' ' A' ' 37' ' ' GLU . 0.0 OUTLIER -42.38 -43.85 3.72 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.522 1.138 . . . . 70.13 109.332 179.938 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.444 ' O ' ' NZ ' ' A' ' 35' ' ' LYS . 0.2 OUTLIER -62.21 166.36 4.96 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.559 1.162 . . . . 61.22 109.98 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 10.0 t0 -120.14 27.21 8.77 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.476 1.11 . . . . 65.12 109.274 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.617 HD11 ' CE2' ' A' ' 109' ' ' TYR . 0.1 OUTLIER -92.21 171.28 7.89 Favored Pre-proline 0 C--N 1.323 -0.572 0 O-C-N 124.606 1.191 . . . . 75.43 109.349 179.912 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 123.08 7.61 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.586 1.835 . . . . 64.4 110.976 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -60.71 152.93 25.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 74.43 110.273 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.489 ' CD1' ' OH ' ' A' ' 49' ' ' TYR . 10.7 tt -83.16 161.62 3.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 73.53 109.238 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . 0.442 ' N ' HG12 ' A' ' 44' ' ' ILE . 1.0 OUTLIER -62.77 -49.91 73.12 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.425 1.078 . . . . 74.13 109.264 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.449 ' CD ' ' C ' ' A' ' 46' ' ' LYS . 0.0 OUTLIER -149.38 164.97 33.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 72.31 109.267 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.895 HH21 ' CB ' ' A' ' 34' ' ' GLU . 0.9 OUTLIER -109.45 95.33 5.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.105 . . . . 73.31 110.341 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.574 ' HB2' ' CD2' ' A' ' 5' ' ' PHE . 8.6 tptp -165.93 108.48 0.77 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.447 1.092 . . . . 65.41 109.335 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.708 ' CE2' HD13 ' A' ' 64' ' ' ILE . 43.9 m-85 -135.27 124.99 25.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.117 . . . . 72.34 110.962 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.511 HD23 ' NH1' ' A' ' 28' ' ' ARG . 0.4 OUTLIER -111.61 78.05 1.09 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 74.33 109.317 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.909 HG21 ' SD ' ' A' ' 91' ' ' MET . 28.4 m -77.51 150.13 79.14 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.114 . . . . 63.4 109.29 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . 0.52 ' HD3' ' HB1' ' B' ' 630' ' ' ALA . 18.2 Cg_endo -75.04 -178.09 3.93 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.484 1.781 . . . . 72.44 110.98 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -93.44 18.48 9.73 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.545 1.153 . . . . 72.45 109.272 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 18.8 m-20 -121.09 -38.86 2.76 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 72.41 109.255 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.431 ' HG ' ' CB ' ' A' ' 59' ' ' GLN . 0.9 OUTLIER -56.25 129.09 38.83 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.527 1.142 . . . . 73.35 109.296 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 1.001 HG22 ' CD2' ' A' ' 90' ' ' LEU . 5.0 p -90.65 177.0 6.46 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.457 1.098 . . . . 33.54 110.38 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.44 ' O ' HG23 ' A' ' 61' ' ' VAL . 2.8 t -64.9 -43.27 96.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 60.44 109.268 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -70.73 -7.86 62.44 Favored Glycine 0 CA--C 1.528 0.897 0 O-C-N 124.422 1.077 . . . . 73.23 111.038 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . 0.431 ' CB ' ' HG ' ' A' ' 55' ' ' LEU . 8.7 mt-30 -99.26 -23.88 15.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.449 0.735 . . . . 74.53 110.226 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.724 ' CD1' HG11 ' A' ' 51' ' ' VAL . 16.0 t80 -77.41 -53.35 7.76 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.518 1.136 . . . . 73.03 110.936 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.669 HG22 ' CG1' ' A' ' 78' ' ' ILE . 50.8 t -39.24 -36.13 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.423 1.077 . . . . 73.01 109.315 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.547 ' CG ' ' N ' ' A' ' 63' ' ' VAL . 0.4 OUTLIER -58.25 -66.4 0.49 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.531 1.144 . . . . 74.54 111.016 -179.972 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.742 HG11 ' C ' ' B' ' 629' ' ' ILE . 77.0 t -44.01 -32.86 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.45 1.094 . . . . 65.32 109.234 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.708 HD13 ' CE2' ' A' ' 49' ' ' TYR . 28.7 mm -69.28 -65.3 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.403 1.064 . . . . 74.05 109.35 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.457 ' O ' ' N ' ' A' ' 69' ' ' MET . 4.2 tpp85 -44.86 -25.83 0.34 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.458 1.099 . . . . 63.25 110.284 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.445 ' HD3' ' CD1' ' A' ' 62' ' ' TYR . 0.0 OUTLIER -71.79 -44.95 63.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 71.45 109.237 -179.936 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . 0.446 ' N ' ' O ' ' A' ' 64' ' ' ILE . 0.2 OUTLIER -57.92 -39.76 78.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 74.15 110.305 -179.984 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.679 HD11 ' CD1' ' A' ' 76' ' ' ILE . 3.3 pt -101.32 6.6 9.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.523 1.14 . . . . 74.21 109.336 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . 0.457 ' N ' ' O ' ' A' ' 65' ' ' ARG . 0.0 OUTLIER 33.89 36.15 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.565 1.166 . . . . 64.34 110.95 -179.976 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.493 HD12 ' HA ' ' A' ' 70' ' ' LEU . 5.4 tp -50.74 140.54 19.43 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 62.43 109.303 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' ' 70' ' ' LEU . 18.3 Cg_endo -75.02 167.7 26.44 Favored 'Trans proline' 0 C--N 1.359 1.102 0 O-C-N 124.555 1.818 . . . . 75.31 110.963 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 0.62 8.7 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.527 1.803 . . . . 73.31 110.966 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -97.58 5.24 49.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.413 1.071 . . . . 75.11 110.252 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -124.26 -179.02 4.28 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.514 1.134 . . . . 74.24 109.299 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -140.18 171.96 13.42 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.524 1.14 . . . . 54.01 109.296 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.724 HD11 ' CD2' ' A' ' 109' ' ' TYR . 1.4 tt -163.12 114.32 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 71.13 109.324 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.679 ' HB3' HD21 ' A' ' 84' ' ' LEU . 66.6 m-85 -110.58 137.46 48.24 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.48 1.112 . . . . 70.23 111.067 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.678 ' O ' HD23 ' A' ' 84' ' ' LEU . 7.5 mm -84.59 132.41 31.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.108 . . . . 70.04 109.315 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -123.39 123.7 41.27 Favored 'General case' 0 C--N 1.323 -0.563 0 O-C-N 124.53 1.144 . . . . 63.12 111.062 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.751 ' O ' HG22 ' A' ' 83' ' ' THR . 2.2 t -126.97 107.19 16.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.533 1.145 . . . . 75.21 109.265 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . 0.599 ' ND2' ' CE1' ' A' ' 98' ' ' HIS . 1.9 m-80 68.91 21.07 7.69 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.413 1.071 . . . . 74.42 109.325 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . 0.497 ' CB ' ' O ' ' A' ' 81' ' ' ASN . 1.8 m-20 82.04 24.08 0.22 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.125 . . . . 75.13 109.278 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . 0.751 HG22 ' O ' ' A' ' 80' ' ' VAL . 1.2 t -127.09 142.63 51.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.43 1.081 . . . . 74.25 110.408 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.679 HD21 ' HB3' ' A' ' 77' ' ' PHE . 2.0 mt -101.38 108.15 53.97 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 64.22 109.278 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -74.91 155.74 43.38 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.514 1.797 . . . . 73.14 110.944 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . 0.735 ' HD2' ' HB2' ' A' ' 89' ' ' ALA . 18.6 Cg_endo -74.96 177.68 8.25 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.477 1.777 . . . . 70.44 110.966 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 8.6 p -78.89 -32.77 45.97 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.561 1.163 . . . . 62.41 110.32 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -80.53 3.47 21.56 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.562 1.164 . . . . 71.44 109.32 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 1.061 ' HB1' HD11 ' A' ' 94' ' ' ILE . . . -75.94 60.58 1.39 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 73.43 109.4 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 1.001 ' CD2' HG22 ' A' ' 56' ' ' THR . 14.7 mt -31.12 120.46 0.22 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.461 1.1 . . . . 71.21 109.274 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' MET . . . . . 0.909 ' SD ' HG21 ' A' ' 51' ' ' VAL . 0.0 OUTLIER -34.7 -36.82 0.05 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 71.21 110.969 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . 0.419 ' N ' ' O ' ' A' ' 90' ' ' LEU . 7.3 t -58.9 -59.18 5.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 61.22 109.999 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -59.2 -16.05 18.39 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.459 1.099 . . . . 70.44 109.229 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 1.061 HD11 ' HB1' ' A' ' 89' ' ' ALA . 19.0 mm -86.43 -38.31 12.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.553 1.158 . . . . 61.53 109.344 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' TYR . . . . . 0.806 ' CD2' HD23 ' A' ' 105' ' ' LEU . 9.3 t80 -80.42 -6.06 57.48 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 52.14 110.976 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . 0.444 ' O ' ' CG ' ' A' ' 96' ' ' GLN . 1.5 tt0 -101.67 -10.38 20.06 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.47 1.106 . . . . 73.33 110.308 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -119.31 -8.17 10.13 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.135 . . . . 70.13 110.307 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . 0.599 ' CE1' ' ND2' ' A' ' 81' ' ' ASN . 35.4 m-70 -127.7 16.83 6.93 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.101 . . . . 62.03 109.653 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.469 ' HB3' ' O ' ' A' ' 95' ' ' TYR . 0.0 OUTLIER -57.74 157.66 7.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.099 . . . . 60.42 109.34 179.938 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -128.56 173.08 10.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 64.51 109.352 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 13.1 mtpt -58.65 -38.9 79.14 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.447 1.092 . . . . 74.24 109.279 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . 0.578 ' HB3' ' CE2' ' A' ' 11' ' ' PHE . 0.4 OUTLIER -71.65 -12.36 61.3 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 52.35 109.343 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . 0.478 ' O ' ' CZ ' ' A' ' 95' ' ' TYR . . . 88.06 -39.49 3.11 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.562 1.164 . . . . 42.14 110.927 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . 0.572 ' CD1' ' HG2' ' A' ' 14' ' ' ARG . 15.5 m-85 -60.83 156.31 17.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.569 0.805 . . . . 73.23 110.926 -179.881 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.806 HD23 ' CD2' ' A' ' 95' ' ' TYR . 0.2 OUTLIER -96.64 146.94 24.39 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.454 1.096 . . . . 74.42 109.238 -179.944 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . 0.441 ' CE1' ' HE3' ' A' ' 6' ' ' LYS . 78.9 m-85 -124.7 96.43 4.89 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.474 1.109 . . . . 64.4 110.944 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . 0.704 HG23 HG22 ' A' ' 80' ' ' VAL . 11.2 p -108.86 171.55 2.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.517 1.135 . . . . 71.32 109.284 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . 0.527 ' H ' HG22 ' A' ' 107' ' ' VAL . 0.6 OUTLIER -153.21 163.62 39.56 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.533 1.145 . . . . 74.21 110.468 179.912 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' TYR . . . . . 0.724 ' CD2' HD11 ' A' ' 76' ' ' ILE . 23.6 p90 -141.21 138.37 33.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 63.54 110.967 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . 0.556 ' HB2' ' HB3' ' A' ' 36' ' ' ALA . 38.2 t -138.29 120.48 15.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.546 1.153 . . . . 73.5 110.004 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' GLY . . . . . 0.453 ' H ' HG21 ' A' ' 41' ' ' ILE . . . -38.76 -31.59 0.13 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.571 1.169 . . . . 54.34 111.005 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 -99.68 151.1 21.6 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.468 0.746 . . . . 65.25 110.333 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . 0.538 HD21 HD13 ' A' ' 84' ' ' LEU . 35.8 t-20 . . . . . 0 C--N 1.324 -0.516 0 O-C-N 124.447 1.092 . . . . 71.13 109.313 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 629' ' ' ILE . . . . . 0.742 ' C ' HG11 ' A' ' 63' ' ' VAL . 1.3 pp . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.291 -0.633 . . . . 61.41 109.291 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 630' ' ' ALA . . . . . 0.695 ' CA ' HG21 ' A' ' 63' ' ' VAL . . . . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.496 1.122 . . . . 73.25 109.352 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.884 HG23 HH21 ' A' ' 47' ' ' ARG . 23.0 p . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 110.385 -0.228 . . . . 74.44 110.385 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . 0.597 ' CZ ' ' OH ' ' A' ' 9' ' ' TYR . 6.1 t80 -63.68 -33.26 75.23 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.453 1.095 . . . . 75.11 110.924 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.532 ' NZ ' ' CE1' ' A' ' 106' ' ' TYR . 0.1 OUTLIER -78.68 -37.56 41.44 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.551 1.157 . . . . 72.11 109.289 -179.976 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 1.9 t -69.84 -23.5 63.3 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.526 1.141 . . . . 63.35 109.986 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . 0.456 ' HB3' ' CD1' ' A' ' 9' ' ' TYR . 7.2 tp10 -44.04 -58.14 2.98 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.564 1.165 . . . . 75.05 110.349 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . 0.597 ' OH ' ' CZ ' ' A' ' 5' ' ' PHE . 1.2 p90 -120.19 166.07 16.25 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.601 1.188 . . . . 62.13 110.999 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . 0.478 ' HA ' ' NH2' ' A' ' 14' ' ' ARG . 18.4 Cg_endo -75.0 171.69 17.84 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.41 1.742 . . . . 44.44 111.066 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.457 ' O ' ' N ' ' A' ' 14' ' ' ARG . 12.3 t80 -55.83 -55.44 32.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 73.12 110.976 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -39.42 -29.58 0.05 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 72.25 110.264 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.424 ' N ' ' O ' ' A' ' 11' ' ' PHE . 4.1 tppt? -82.65 -49.29 9.97 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.468 1.105 . . . . 72.31 109.297 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.478 ' NH2' ' HA ' ' A' ' 10' ' ' PRO . 11.6 mtt180 -56.44 -27.33 56.43 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.46 1.1 . . . . 72.4 110.302 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 23.5 pttt -82.79 -44.17 15.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.444 1.09 . . . . 63.02 109.332 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.65 -30.11 71.13 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.459 1.099 . . . . 52.13 109.311 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 30.1 tp10 -72.74 -58.91 2.99 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.466 1.104 . . . . 64.25 110.386 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.594 ' OG ' ' CD2' ' A' ' 104' ' ' PHE . 0.9 OUTLIER -56.32 -18.27 10.27 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.484 1.115 . . . . 73.4 109.998 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -69.91 -33.15 71.81 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.466 1.104 . . . . 72.31 110.372 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 26.7 mtm180 -89.76 -36.5 15.12 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.486 1.116 . . . . 74.03 110.347 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 13.0 mt -58.05 -21.84 17.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 70.13 109.29 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -74.65 -27.19 60.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 53.32 109.346 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -91.25 -19.78 22.64 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.123 . . . . 74.04 109.315 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.602 ' O ' ' CD1' ' A' ' 25' ' ' PHE . 5.6 mtp85 -90.39 -31.82 16.7 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.456 1.097 . . . . 72.2 110.277 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.602 ' CD1' ' O ' ' A' ' 24' ' ' ARG . 5.8 m-85 -153.19 86.45 4.07 Favored Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.433 1.083 . . . . 64.32 111.074 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -16.39 20.17 Favored 'Trans proline' 0 C--N 1.361 1.215 0 O-C-N 124.481 1.779 . . . . 74.2 110.977 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.1 p30 -109.91 49.85 0.82 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 72.44 109.356 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.729 ' HB3' HD11 ' A' ' 50' ' ' LEU . 5.0 mmt-85 -134.63 -178.17 4.94 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 75.13 110.358 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.607 HG23 ' CB ' ' A' ' 95' ' ' TYR . 37.1 mm -145.27 97.4 4.76 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 73.21 109.255 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.585 ' HD2' ' CE2' ' A' ' 95' ' ' TYR . 18.2 Cg_endo -74.95 124.21 8.48 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.522 1.801 . . . . 64.02 110.963 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.511 HG22 ' O ' ' A' ' 49' ' ' TYR . 0.7 OUTLIER -134.17 173.34 14.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.435 1.085 . . . . 75.34 109.279 179.963 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.456 HD13 ' O ' ' A' ' 31' ' ' VAL . 6.4 mm -137.88 103.6 2.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.547 1.154 . . . . 65.24 109.305 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.504 ' HA ' HG22 ' A' ' 107' ' ' VAL . 0.5 OUTLIER -75.56 129.05 36.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.445 1.091 . . . . 43.2 108.271 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.665 ' HB3' HG23 ' A' ' 108' ' ' THR . 5.7 tm-20 -121.26 163.82 17.97 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.544 1.152 . . . . 74.13 110.198 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.569 ' HG2' ' CE1' ' A' ' 109' ' ' TYR . 0.0 OUTLIER -121.09 112.53 18.81 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.451 1.095 . . . . 74.11 109.269 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -51.32 166.43 0.11 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.555 1.16 . . . . 61.54 109.332 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.408 ' CG ' ' N ' ' A' ' 38' ' ' LYS . 14.9 pt-20 -92.36 -48.39 6.69 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.582 1.176 . . . . 72.1 110.259 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.408 ' N ' ' CG ' ' A' ' 37' ' ' GLU . 53.6 mttm -56.49 -23.16 37.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 70.13 109.339 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.2 t -57.5 155.87 8.89 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.505 1.128 . . . . 61.22 109.961 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -115.58 13.83 16.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.133 . . . . 65.12 109.323 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.605 HD11 ' CE1' ' A' ' 109' ' ' TYR . 0.1 OUTLIER -90.92 163.5 29.44 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.501 1.125 . . . . 75.43 109.327 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . 0.477 ' O ' HG21 ' A' ' 68' ' ' ILE . 18.4 Cg_endo -74.91 130.71 13.63 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.589 1.836 . . . . 64.4 111.068 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -62.76 146.63 52.01 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 74.43 110.336 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.797 HD11 ' OH ' ' A' ' 49' ' ' TYR . 5.4 tt -72.54 172.68 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.545 1.153 . . . . 73.53 109.286 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -74.68 -45.75 42.39 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.448 1.092 . . . . 74.13 109.373 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.517 ' N ' ' CD ' ' A' ' 46' ' ' LYS . 0.0 OUTLIER -153.08 161.83 42.04 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.471 1.107 . . . . 72.31 109.311 179.956 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.884 HH21 HG23 ' A' ' 4' ' ' THR . 12.8 mtt-85 -108.42 94.79 5.25 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.435 1.084 . . . . 73.31 110.265 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.568 ' HB2' ' CD1' ' A' ' 5' ' ' PHE . 3.0 tptt -167.31 108.72 0.63 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 65.41 109.362 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.797 ' OH ' HD11 ' A' ' 44' ' ' ILE . 53.5 m-85 -140.94 113.47 8.13 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.448 1.092 . . . . 72.34 111.03 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.729 HD11 ' HB3' ' A' ' 28' ' ' ARG . 35.4 tp -100.62 78.15 1.96 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.344 1.028 . . . . 74.33 109.315 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.709 HG21 ' HE2' ' A' ' 91' ' ' MET . 16.4 m -72.79 153.17 91.32 Favored Pre-proline 0 C--N 1.324 -0.531 0 O-C-N 124.472 1.107 . . . . 63.4 109.262 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 178.48 7.19 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.49 1.784 . . . . 72.44 111.005 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.509 ' HB1' ' HB2' ' A' ' 92' ' ' SER . . . -90.71 18.66 6.17 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.497 1.123 . . . . 72.45 109.3 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.444 ' N ' ' OD1' ' A' ' 54' ' ' ASP . 0.0 OUTLIER -120.65 -38.84 2.81 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.521 1.138 . . . . 72.41 109.253 -179.922 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.823 HD13 ' HB1' ' B' ' 630' ' ' ALA . 0.5 OUTLIER -59.55 132.87 55.3 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.517 1.135 . . . . 73.35 109.249 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.574 HG22 ' CD1' ' A' ' 90' ' ' LEU . 3.0 p -91.93 -173.45 3.49 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.473 1.108 . . . . 33.54 110.31 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 2.8 t -74.41 -42.37 49.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 60.44 109.271 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -73.5 -5.74 68.76 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.505 1.128 . . . . 73.23 111.045 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . 0.426 ' CB ' ' HG ' ' A' ' 55' ' ' LEU . 4.5 mm100 -98.18 -24.43 15.28 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.552 0.795 . . . . 74.53 110.265 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 1.04 ' CE1' HD11 ' A' ' 64' ' ' ILE . 1.6 t80 -79.23 -40.26 31.09 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.516 1.135 . . . . 73.03 111.031 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.783 HG13 ' CG2' ' A' ' 76' ' ' ILE . 88.3 t -53.66 -31.53 19.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 73.01 109.325 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.569 ' CE1' ' HD2' ' A' ' 66' ' ' LYS . 0.1 OUTLIER -59.11 -30.85 68.42 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.515 1.134 . . . . 74.54 111.057 179.942 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.517 HG21 ' C ' ' B' ' 630' ' ' ALA . 18.1 t -84.0 -46.06 18.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.13 . . . . 65.32 109.306 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 1.04 HD11 ' CE1' ' A' ' 60' ' ' PHE . 15.0 mm -60.61 -30.4 46.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 74.05 109.237 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 7.4 tpp85 -83.62 -3.44 57.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.397 1.061 . . . . 63.25 110.331 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.569 ' HD2' ' CE1' ' A' ' 62' ' ' TYR . 6.3 mttp -93.38 -49.1 6.1 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.522 1.138 . . . . 71.45 109.327 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 2.5 mmp_? -49.86 -66.14 0.44 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.541 1.151 . . . . 74.15 110.359 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.512 ' O ' ' CG ' ' A' ' 69' ' ' MET . 5.9 pt -73.68 -4.46 5.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.151 . . . . 74.21 109.231 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . 0.512 ' CG ' ' O ' ' A' ' 68' ' ' ILE . 2.7 ptt? 42.97 44.05 3.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 64.34 110.935 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.448 HD12 ' HA ' ' A' ' 70' ' ' LEU . 5.0 tp -50.36 141.03 16.86 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.663 1.227 . . . . 62.43 109.294 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 167.8 26.23 Favored 'Trans proline' 0 C--N 1.361 1.213 0 O-C-N 124.392 1.733 . . . . 75.31 110.998 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 0.77 8.53 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.525 1.803 . . . . 73.31 110.996 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -97.99 2.64 49.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.143 . . . . 75.11 110.292 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -125.19 -178.94 4.37 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.514 1.134 . . . . 74.24 109.322 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -140.03 174.56 10.39 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.564 1.165 . . . . 54.01 109.318 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.783 ' CG2' HG13 ' A' ' 61' ' ' VAL . 1.2 tt -159.36 128.41 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.565 1.165 . . . . 71.13 109.315 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.751 ' HB3' HD11 ' A' ' 84' ' ' LEU . 58.6 m-85 -126.8 133.36 50.82 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.515 1.135 . . . . 70.23 110.98 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.598 HG23 ' CG2' ' A' ' 107' ' ' VAL . 5.2 mm -85.36 128.21 39.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.579 1.174 . . . . 70.04 109.328 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -118.76 120.21 36.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 63.12 110.999 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.771 HG22 ' ND2' ' A' ' 81' ' ' ASN . 9.1 p -121.39 106.33 18.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.384 1.052 . . . . 75.21 109.284 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . 0.771 ' ND2' HG22 ' A' ' 80' ' ' VAL . 7.0 m-80 73.31 34.32 1.02 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 74.42 109.339 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 67.04 10.98 8.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 75.13 109.262 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . 0.514 ' O ' ' CG2' ' A' ' 83' ' ' THR . 0.5 OUTLIER -121.71 110.8 16.39 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 74.25 110.417 -179.958 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.751 HD11 ' HB3' ' A' ' 77' ' ' PHE . 0.5 OUTLIER -73.66 113.91 27.22 Favored Pre-proline 0 C--N 1.326 -0.416 0 O-C-N 124.546 1.154 . . . . 64.22 109.311 -179.949 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 162.72 36.73 Favored 'Trans proline' 0 C--N 1.361 1.218 0 O-C-N 124.529 1.805 . . . . 73.14 111.012 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . 0.655 ' HG2' ' HB2' ' A' ' 89' ' ' ALA . 18.5 Cg_endo -75.02 -165.29 0.28 Allowed 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.455 1.766 . . . . 70.44 110.984 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 2.3 p -97.26 -34.37 11.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.14 . . . . 62.41 110.378 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -86.05 12.99 8.36 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 71.44 109.349 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 1.003 ' HB1' HD11 ' A' ' 94' ' ' ILE . . . -83.04 61.67 6.15 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.511 1.132 . . . . 73.43 109.214 -179.863 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.595 ' C ' ' O ' ' A' ' 89' ' ' ALA . 0.5 OUTLIER -23.73 117.09 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.59 1.181 . . . . 71.21 109.32 179.955 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' MET . . . . . 0.709 ' HE2' HG21 ' A' ' 51' ' ' VAL . 46.4 mmm -47.85 -22.93 0.63 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.397 1.061 . . . . 71.21 110.975 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . 0.509 ' HB2' ' HB1' ' A' ' 53' ' ' ALA . 0.1 OUTLIER -69.92 -41.81 74.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.128 . . . . 61.22 110.055 179.913 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -81.7 -7.9 59.64 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.462 1.101 . . . . 70.44 109.329 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 1.003 HD11 ' HB1' ' A' ' 89' ' ' ALA . 21.2 mm -87.19 -49.03 15.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.115 . . . . 61.53 109.238 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' TYR . . . . . 0.851 ' CD2' HD23 ' A' ' 105' ' ' LEU . 7.8 t80 -69.97 -6.11 30.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 52.14 111.033 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . 0.451 ' O ' ' CG ' ' A' ' 96' ' ' GLN . 4.5 tp60 -101.64 -9.72 20.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.577 1.173 . . . . 73.33 110.244 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -118.69 -9.3 10.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 70.13 110.277 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . 0.478 ' HD2' HG23 ' A' ' 94' ' ' ILE . 39.5 m-70 -128.28 17.54 6.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.445 1.09 . . . . 62.03 109.51 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.482 ' HB3' ' O ' ' A' ' 95' ' ' TYR . 0.0 OUTLIER -56.38 159.58 3.56 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.484 1.115 . . . . 60.42 109.298 179.973 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -127.9 173.48 9.97 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 64.51 109.327 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -60.88 -29.73 69.72 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.528 1.142 . . . . 74.24 109.214 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -86.58 -14.66 42.19 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.434 1.084 . . . . 52.35 109.297 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . 0.576 ' O ' ' CE2' ' A' ' 95' ' ' TYR . . . 87.71 -39.27 3.11 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.515 1.134 . . . . 42.14 111.003 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . 0.594 ' CD2' ' OG ' ' A' ' 18' ' ' SER . 9.5 m-85 -60.1 117.52 5.22 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.554 0.796 . . . . 73.23 111.048 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.851 HD23 ' CD2' ' A' ' 95' ' ' TYR . 0.2 OUTLIER -61.62 160.78 10.84 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.535 1.147 . . . . 74.42 109.294 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . 0.532 ' CE1' ' NZ ' ' A' ' 6' ' ' LYS . 52.4 m-85 -137.72 116.3 12.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.583 1.177 . . . . 64.4 110.921 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . 0.642 HG23 ' N ' ' A' ' 108' ' ' THR . 1.7 m -122.9 174.58 6.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.545 1.153 . . . . 71.32 109.342 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . 0.665 HG23 ' HB3' ' A' ' 34' ' ' GLU . 1.1 m -148.97 106.89 3.69 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.512 1.132 . . . . 74.21 110.356 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' TYR . . . . . 0.726 ' CD1' HD11 ' A' ' 76' ' ' ILE . 14.8 p90 -94.81 122.42 37.41 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.593 1.183 . . . . 63.54 111.029 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -136.06 154.22 51.1 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.436 1.085 . . . . 73.5 109.959 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -77.7 2.13 64.77 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.531 1.144 . . . . 54.34 110.962 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -121.56 135.05 55.03 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.465 0.744 . . . . 65.25 110.321 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 20.4 t-20 . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.462 1.101 . . . . 71.13 109.302 -179.976 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 629' ' ' ILE . . . . . 0.491 ' CD1' ' C ' ' B' ' 629' ' ' ILE . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 109.255 -0.646 . . . . 61.41 109.255 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 630' ' ' ALA . . . . . 0.823 ' HB1' HD13 ' A' ' 55' ' ' LEU . . . . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.484 1.115 . . . . 73.25 109.278 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.466 ' OG1' ' N ' ' A' ' 5' ' ' PHE . 6.0 p . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 110.413 -0.217 . . . . 74.44 110.413 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . 0.614 ' CZ ' ' OH ' ' A' ' 9' ' ' TYR . 83.4 t80 -81.66 -15.89 53.1 Favored 'General case' 0 C--N 1.323 -0.577 0 O-C-N 124.572 1.17 . . . . 75.11 110.989 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.701 ' HB3' HH21 ' A' ' 47' ' ' ARG . 0.1 OUTLIER -101.1 -28.96 12.41 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.597 1.186 . . . . 72.11 109.32 179.955 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -81.36 4.79 19.49 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.551 1.157 . . . . 63.35 109.894 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . 0.464 ' HB3' ' CD1' ' A' ' 9' ' ' TYR . 51.5 tt0 -81.86 -58.74 2.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.564 1.165 . . . . 75.05 110.322 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . 0.614 ' OH ' ' CZ ' ' A' ' 5' ' ' PHE . 1.3 p90 -120.45 165.78 17.32 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.443 1.089 . . . . 62.13 110.967 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 179.48 6.05 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.49 1.784 . . . . 44.44 111.027 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.459 ' CE2' ' HB3' ' A' ' 102' ' ' ASP . 2.9 t80 -68.8 -43.73 75.03 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.456 1.097 . . . . 73.12 110.968 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -58.05 -16.0 11.31 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.425 1.078 . . . . 72.25 110.269 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 6.4 tppt? -95.72 -48.0 5.96 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.594 1.184 . . . . 72.31 109.365 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.662 ' NH1' ' CE1' ' A' ' 104' ' ' PHE . 0.0 OUTLIER -64.2 -24.44 67.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.455 1.097 . . . . 72.4 110.326 179.975 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.412 ' N ' ' HG3' ' A' ' 14' ' ' ARG . 53.5 pttt -74.14 -44.31 54.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.587 1.179 . . . . 63.02 109.358 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -57.28 -22.0 38.59 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.445 1.091 . . . . 52.13 109.264 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.405 ' HA ' ' OE1' ' A' ' 17' ' ' GLU . 5.1 tp10 -72.51 -47.59 47.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.096 . . . . 64.25 110.317 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.509 ' HB3' ' CE1' ' A' ' 104' ' ' PHE . 11.3 p -68.03 -11.36 58.81 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.538 1.149 . . . . 73.4 109.947 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -77.48 -26.09 51.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.564 1.165 . . . . 72.31 110.298 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 54.4 mtm180 -101.96 -33.68 9.65 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.479 1.112 . . . . 74.03 110.292 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 6.9 mt -59.82 -22.07 23.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.65 1.219 . . . . 70.13 109.318 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -77.95 -22.42 49.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 53.32 109.398 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -95.87 -14.15 23.4 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 74.04 109.341 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.421 ' CZ ' ' CZ ' ' A' ' 25' ' ' PHE . 10.1 mtm180 -97.67 -59.66 1.73 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 72.2 110.343 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.421 ' CZ ' ' CZ ' ' A' ' 24' ' ' ARG . 3.5 m-85 -126.15 85.3 59.98 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 64.32 111.045 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -26.81 10.67 Favored 'Trans proline' 0 C--N 1.359 1.102 0 O-C-N 124.528 1.804 . . . . 74.2 111.002 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 12.0 p30 -92.07 36.06 0.98 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.534 1.146 . . . . 72.44 109.323 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.553 ' HB3' HD11 ' A' ' 50' ' ' LEU . 4.1 mmt85 -122.54 175.78 6.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 75.13 110.254 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.654 HG23 ' CB ' ' A' ' 95' ' ' TYR . 28.3 mm -144.51 96.41 5.24 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 73.21 109.282 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.448 ' O ' ' HB2' ' A' ' 105' ' ' LEU . 18.6 Cg_endo -75.05 142.34 27.58 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.463 1.77 . . . . 64.02 111.029 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.859 HG23 ' HB3' ' A' ' 105' ' ' LEU . 6.3 p -161.58 147.35 4.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.13 . . . . 75.34 109.304 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.739 HG23 ' O ' ' A' ' 47' ' ' ARG . 16.0 mm -113.12 114.61 47.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.485 1.116 . . . . 65.24 109.296 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.462 ' SG ' HG22 ' A' ' 107' ' ' VAL . 1.2 t -89.17 143.99 26.44 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 43.2 108.285 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.98 ' HB3' HG23 ' A' ' 108' ' ' THR . 49.2 tt0 -133.22 154.22 50.85 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.462 1.101 . . . . 74.13 110.287 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.572 ' HG2' ' CE2' ' A' ' 109' ' ' TYR . 0.0 OUTLIER -99.24 125.43 44.85 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.474 1.109 . . . . 74.11 109.291 179.979 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.618 ' HB3' ' HB2' ' A' ' 39' ' ' SER . . . -60.73 142.29 56.01 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.541 1.151 . . . . 61.54 109.293 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.425 ' CG ' ' N ' ' A' ' 38' ' ' LYS . 14.8 pt-20 -68.02 -52.64 33.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.462 1.101 . . . . 72.1 110.258 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.425 ' N ' ' CG ' ' A' ' 37' ' ' GLU . 40.1 mttp -55.62 -35.71 66.17 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.546 1.154 . . . . 70.13 109.276 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.618 ' HB2' ' HB3' ' A' ' 36' ' ' ALA . 8.6 t -39.36 156.23 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.451 1.094 . . . . 61.22 109.986 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -116.09 10.24 14.96 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.543 1.152 . . . . 65.12 109.271 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.56 HD11 ' CE2' ' A' ' 109' ' ' TYR . 0.1 OUTLIER -91.28 164.24 25.7 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.447 1.092 . . . . 75.43 109.376 179.952 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 129.79 12.67 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.484 1.781 . . . . 64.4 111.002 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -49.24 171.07 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.625 1.203 . . . . 74.43 110.319 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.507 HD12 ' OH ' ' A' ' 49' ' ' TYR . 3.5 tt -102.77 163.59 3.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.109 . . . . 73.53 109.301 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . 0.447 ' N ' ' CG1' ' A' ' 44' ' ' ILE . 0.9 OUTLIER -54.77 -59.67 4.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 74.13 109.377 179.981 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.425 ' HA ' ' OG1' ' A' ' 4' ' ' THR . 0.0 OUTLIER -150.06 178.52 8.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 72.31 109.321 179.936 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.739 ' O ' HG23 ' A' ' 32' ' ' ILE . 2.7 mtm180 -107.87 93.38 4.51 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.505 1.128 . . . . 73.31 110.308 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.53 ' HB2' ' CD2' ' A' ' 5' ' ' PHE . 1.1 tptt -168.2 123.62 0.99 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.558 1.161 . . . . 65.41 109.269 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.698 ' CE2' HD13 ' A' ' 64' ' ' ILE . 33.5 m-85 -149.37 110.57 4.4 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.551 1.157 . . . . 72.34 111.009 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.553 HD11 ' HB3' ' A' ' 28' ' ' ARG . 12.1 tp -103.0 76.67 1.49 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.148 . . . . 74.33 109.296 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.939 HG21 ' SD ' ' A' ' 91' ' ' MET . 5.9 m -76.55 153.12 83.6 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.12 . . . . 63.4 109.287 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -178.39 4.14 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.476 1.777 . . . . 72.44 110.96 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -92.73 18.02 9.48 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.453 1.096 . . . . 72.45 109.293 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -119.98 -38.73 2.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.544 1.153 . . . . 72.41 109.242 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.854 HD23 ' HB1' ' B' ' 630' ' ' ALA . 0.0 OUTLIER -58.29 133.52 55.76 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.448 1.092 . . . . 73.35 109.324 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.511 ' N ' HD12 ' A' ' 55' ' ' LEU . 0.1 OUTLIER -98.86 -170.72 1.97 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.44 1.088 . . . . 33.54 110.412 179.959 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 2.8 t -75.4 -62.98 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 60.44 109.289 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -53.48 -18.51 7.52 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.598 1.186 . . . . 73.23 111.032 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . 0.538 ' HB2' ' CD1' ' A' ' 55' ' ' LEU . 31.5 mt-30 -97.22 -24.98 15.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.544 0.79 . . . . 74.53 110.276 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.623 ' CZ ' HD11 ' A' ' 64' ' ' ILE . 34.3 t80 -69.05 -36.86 78.17 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.458 1.099 . . . . 73.03 111.042 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.741 HG13 ' CG2' ' A' ' 76' ' ' ILE . 94.2 t -56.43 -45.44 81.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 73.01 109.308 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.592 ' CD1' ' O ' ' A' ' 62' ' ' TYR . 0.1 OUTLIER -45.92 -25.58 0.56 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.551 1.157 . . . . 74.54 111.025 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.815 HG21 ' C ' ' B' ' 630' ' ' ALA . 54.4 t -86.65 -36.75 10.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 O-C-N 124.594 1.184 . . . . 65.32 109.215 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.698 HD13 ' CE2' ' A' ' 49' ' ' TYR . 35.4 mm -64.56 -45.7 94.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.561 1.163 . . . . 74.05 109.306 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.474 ' CD ' ' HB3' ' A' ' 70' ' ' LEU . 6.2 tpp85 -68.07 -8.3 36.73 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.477 1.111 . . . . 63.25 110.237 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.574 ' HD2' ' CE1' ' A' ' 62' ' ' TYR . 9.2 mttp -88.73 -40.2 13.41 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.447 1.092 . . . . 71.45 109.321 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -59.23 -39.93 84.31 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.552 1.158 . . . . 74.15 110.323 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.449 HD11 ' CD1' ' A' ' 76' ' ' ILE . 2.8 pt -104.29 3.15 10.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.528 1.143 . . . . 74.21 109.301 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . 0.419 ' CG ' ' O ' ' A' ' 68' ' ' ILE . 3.7 ptp 40.71 29.09 0.06 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.445 1.09 . . . . 64.34 111.001 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.474 ' HB3' ' CD ' ' A' ' 65' ' ' ARG . 5.6 tp -49.29 140.34 12.95 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 62.43 109.32 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.435 ' HD3' ' HA ' ' A' ' 70' ' ' LEU . 18.6 Cg_endo -74.89 170.3 20.7 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.463 1.77 . . . . 75.31 111.101 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 -1.73 11.61 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.441 1.758 . . . . 73.31 111.046 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -83.95 -0.04 49.83 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.452 1.095 . . . . 75.11 110.247 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 18.4 mttp -127.41 -178.96 4.66 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.485 1.116 . . . . 74.24 109.27 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -138.05 163.67 31.02 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.434 1.084 . . . . 54.01 109.339 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.741 ' CG2' HG13 ' A' ' 61' ' ' VAL . 2.3 tt -154.31 134.47 4.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.432 1.083 . . . . 71.13 109.316 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.721 ' HB3' HD11 ' A' ' 84' ' ' LEU . 31.3 m-85 -133.68 135.1 43.86 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.584 1.177 . . . . 70.23 110.939 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.6 ' CG2' HG21 ' A' ' 107' ' ' VAL . 3.6 mm -86.57 121.93 38.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 70.04 109.211 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . 0.521 ' CZ ' HD13 ' A' ' 84' ' ' LEU . 4.9 m-85 -112.88 125.04 53.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 63.12 110.951 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.456 HG11 ' CD2' ' A' ' 98' ' ' HIS . 2.1 t -120.09 109.47 26.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.496 1.123 . . . . 75.21 109.327 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . 0.487 ' O ' ' CB ' ' A' ' 82' ' ' ASP . 2.1 m-80 70.44 17.95 6.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.13 . . . . 74.42 109.301 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . 0.487 ' CB ' ' O ' ' A' ' 81' ' ' ASN . 3.2 m-20 80.66 27.22 0.25 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 75.13 109.298 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . 0.487 ' O ' ' CG2' ' A' ' 83' ' ' THR . 0.6 OUTLIER -136.6 113.82 10.69 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.454 1.096 . . . . 74.25 110.335 -179.952 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.721 HD11 ' HB3' ' A' ' 77' ' ' PHE . 0.3 OUTLIER -73.79 113.88 27.18 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.484 1.115 . . . . 64.22 109.292 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 170.59 20.08 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.505 1.792 . . . . 73.14 110.977 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . 0.654 ' HD2' ' HB2' ' A' ' 89' ' ' ALA . 18.3 Cg_endo -75.09 -169.32 0.62 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.554 1.818 . . . . 70.44 110.935 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 3.9 p -93.87 -34.13 13.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.56 1.163 . . . . 62.41 110.354 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -84.38 8.76 15.13 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.549 1.155 . . . . 71.44 109.273 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.988 ' HB1' HD11 ' A' ' 94' ' ' ILE . . . -75.72 61.02 1.34 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 73.43 109.308 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.531 ' C ' ' O ' ' A' ' 89' ' ' ALA . 0.4 OUTLIER -29.69 117.61 0.13 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.589 1.181 . . . . 71.21 109.321 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' MET . . . . . 0.939 ' SD ' HG21 ' A' ' 51' ' ' VAL . 0.5 OUTLIER -36.62 -31.18 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.54 1.15 . . . . 71.21 110.962 -179.923 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . 0.469 ' N ' ' O ' ' A' ' 90' ' ' LEU . 1.5 t -64.69 -56.81 11.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 61.22 110.033 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . 0.412 ' N ' ' O ' ' A' ' 90' ' ' LEU . . . -60.97 -15.06 27.23 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.52 1.138 . . . . 70.44 109.275 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.988 HD11 ' HB1' ' A' ' 89' ' ' ALA . 28.0 mm -90.27 -37.75 10.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 61.53 109.321 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' TYR . . . . . 0.654 ' CB ' HG23 ' A' ' 29' ' ' ILE . 5.9 t80 -79.07 -4.24 49.23 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 52.14 111.017 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . 0.459 ' O ' ' CG ' ' A' ' 96' ' ' GLN . 6.8 tp60 -104.41 -9.17 18.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.546 1.154 . . . . 73.33 110.264 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -120.69 -7.06 9.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.566 1.166 . . . . 70.13 110.294 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . 0.687 ' HB2' HD11 ' A' ' 105' ' ' LEU . 14.6 m-70 -123.94 11.78 9.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.443 1.089 . . . . 62.03 109.578 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.514 ' HB3' ' O ' ' A' ' 95' ' ' TYR . 0.1 OUTLIER -64.94 154.87 36.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.146 . . . . 60.42 109.28 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . 0.438 ' O ' ' N ' ' A' ' 103' ' ' GLY . 1.2 m-20 -120.97 175.46 6.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.449 1.093 . . . . 64.51 109.342 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 12.9 mtpt -48.59 -38.27 20.28 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.551 1.157 . . . . 74.24 109.29 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . 0.459 ' HB3' ' CE2' ' A' ' 11' ' ' PHE . 2.0 p30 -76.55 -28.96 56.49 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.491 1.119 . . . . 52.35 109.279 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . 0.438 ' N ' ' O ' ' A' ' 100' ' ' ASP . . . 104.96 -39.27 2.9 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.475 1.109 . . . . 42.14 111.011 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . 0.662 ' CE1' ' NH1' ' A' ' 14' ' ' ARG . 9.7 m-85 -55.41 142.49 32.34 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.528 0.781 . . . . 73.23 110.92 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.859 ' HB3' HG23 ' A' ' 31' ' ' VAL . 0.2 OUTLIER -85.09 161.95 19.48 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.534 1.146 . . . . 74.42 109.218 -179.969 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 57.1 m-85 -145.53 107.26 4.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 64.4 110.962 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . 0.7 HG23 ' N ' ' A' ' 108' ' ' THR . 1.9 m -117.34 179.55 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.413 1.071 . . . . 71.32 109.361 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . 0.98 HG23 ' HB3' ' A' ' 34' ' ' GLU . 0.7 OUTLIER -152.52 112.32 3.96 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 74.21 110.404 179.965 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' TYR . . . . . 0.69 ' CD2' HD11 ' A' ' 76' ' ' ILE . 25.9 p90 -94.89 132.57 39.57 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.406 1.066 . . . . 63.54 111.065 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . 0.512 ' OG ' ' HB2' ' A' ' 36' ' ' ALA . 0.7 OUTLIER -131.9 152.52 50.99 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.414 1.071 . . . . 73.5 110.024 179.956 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' GLY . . . . . 0.466 ' HA3' ' CG2' ' A' ' 41' ' ' ILE . . . -60.6 -46.18 94.91 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.518 1.136 . . . . 54.34 110.957 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 24.0 pt-20 -90.13 161.33 15.82 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.517 0.774 . . . . 65.25 110.261 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . 0.495 HD21 HD22 ' A' ' 84' ' ' LEU . 25.9 t-20 . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 71.13 109.302 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 629' ' ' ILE . . . . . . . . . . . . . 1.4 pp . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.247 -0.649 . . . . 61.41 109.247 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 630' ' ' ALA . . . . . 0.854 ' HB1' HD23 ' A' ' 55' ' ' LEU . . . . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 73.25 109.376 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.751 HG21 ' O ' ' A' ' 45' ' ' ASP . 63.9 p . . . . . 0 N--CA 1.454 -0.275 0 N-CA-C 110.357 -0.238 . . . . 74.44 110.357 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . 0.579 ' CD2' ' HD2' ' A' ' 6' ' ' LYS . 25.8 t80 -47.8 -22.4 0.54 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.429 1.081 . . . . 75.11 110.951 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 1.007 ' HZ2' HG21 ' A' ' 32' ' ' ILE . 2.0 mptm? -93.79 -31.84 14.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.144 . . . . 72.11 109.283 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . 0.452 ' N ' ' O ' ' A' ' 4' ' ' THR . 27.6 t -80.4 4.29 18.5 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.553 1.158 . . . . 63.35 110.115 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . 0.475 ' OE1' ' CE2' ' A' ' 9' ' ' TYR . 0.0 OUTLIER -85.23 -63.25 1.36 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 75.05 110.302 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . 0.491 ' CD2' ' HE3' ' A' ' 13' ' ' LYS . 0.1 OUTLIER -127.37 174.21 4.54 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 62.13 111.041 179.942 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . 0.442 ' O ' ' C ' ' A' ' 11' ' ' PHE . 18.1 Cg_endo -75.1 147.8 34.05 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.508 1.794 . . . . 44.44 111.002 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.539 ' CE1' ' HB3' ' A' ' 102' ' ' ASP . 0.6 OUTLIER -34.16 -56.05 0.5 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 73.12 110.961 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.505 ' N ' ' CD2' ' A' ' 11' ' ' PHE . 14.6 mp0 -41.6 -56.99 2.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 72.25 110.292 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.491 ' HE3' ' CD2' ' A' ' 9' ' ' TYR . 0.0 OUTLIER -37.81 -41.16 0.5 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.502 1.126 . . . . 72.31 109.281 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.754 HH21 ' HE3' ' A' ' 6' ' ' LYS . 11.2 mtp-105 -69.87 -50.64 40.56 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.584 1.177 . . . . 72.4 110.347 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.426 ' N ' ' O ' ' A' ' 12' ' ' GLU . 14.8 pttt -46.19 -41.38 12.63 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.453 1.096 . . . . 63.02 109.234 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -67.87 -35.63 78.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.589 1.181 . . . . 52.13 109.304 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.451 ' N ' ' O ' ' A' ' 14' ' ' ARG . 16.4 tp10 -65.58 -54.52 26.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.361 1.038 . . . . 64.25 110.292 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.7 t -56.89 -23.45 44.78 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 124.58 1.175 . . . . 73.4 110.002 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 -72.91 -33.33 65.91 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.449 1.093 . . . . 72.31 110.315 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 43.1 mtm180 -91.33 -24.86 19.67 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.534 1.146 . . . . 74.03 110.285 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.456 HD12 ' CZ ' ' A' ' 104' ' ' PHE . 11.8 mt -59.02 -22.03 20.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.429 1.081 . . . . 70.13 109.339 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -78.32 -24.09 46.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 53.32 109.288 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -88.89 -24.86 22.4 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 74.04 109.303 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.9 mtt180 -96.59 -61.96 1.34 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.425 1.078 . . . . 72.2 110.292 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.406 ' HB3' ' CG ' ' A' ' 28' ' ' ARG . 2.9 m-85 -118.16 78.49 13.64 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.494 1.121 . . . . 64.32 111.035 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -36.43 2.57 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.534 1.807 . . . . 74.2 110.954 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 19.7 m-20 -90.42 40.0 0.99 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.463 1.102 . . . . 72.44 109.271 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.456 ' O ' HD13 ' A' ' 29' ' ' ILE . 6.4 mmt-85 -129.14 -178.74 4.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.146 . . . . 75.13 110.319 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.464 HG23 ' CB ' ' A' ' 95' ' ' TYR . 25.8 mm -141.5 99.51 6.35 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.526 1.142 . . . . 73.21 109.324 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.59 ' HA ' ' CD2' ' A' ' 50' ' ' LEU . 18.3 Cg_endo -74.94 121.42 6.59 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.499 1.789 . . . . 64.02 111.032 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.4 HG12 ' HB2' ' A' ' 105' ' ' LEU . 1.3 m -135.7 173.04 14.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.125 . . . . 75.34 109.322 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 1.007 HG21 ' HZ2' ' A' ' 6' ' ' LYS . 7.0 mm -134.63 103.23 4.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.605 1.191 . . . . 65.24 109.339 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.569 ' HB3' ' CE1' ' A' ' 49' ' ' TYR . 2.1 t -87.23 130.8 34.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.137 . . . . 43.2 108.274 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.408 ' HG3' ' NE ' ' A' ' 47' ' ' ARG . 6.9 tm-20 -145.34 162.33 37.5 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.369 1.043 . . . . 74.13 110.344 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.566 ' HZ3' ' HB3' ' A' ' 39' ' ' SER . 0.0 OUTLIER -101.44 133.25 46.36 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.489 1.118 . . . . 74.11 109.271 -179.968 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.41 ' HB3' ' OG ' ' A' ' 110' ' ' SER . . . -60.55 177.89 0.26 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.53 1.144 . . . . 61.54 109.263 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.449 ' CG ' ' N ' ' A' ' 38' ' ' LYS . 16.5 pt-20 -96.51 -50.76 4.61 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.469 1.106 . . . . 72.1 110.246 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.449 ' N ' ' CG ' ' A' ' 37' ' ' GLU . 53.5 mttm -53.73 -36.5 62.35 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.139 . . . . 70.13 109.343 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.566 ' HB3' ' HZ3' ' A' ' 35' ' ' LYS . 1.1 t -47.49 163.91 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 61.22 109.996 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 23.8 m-20 -127.8 23.31 6.21 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 65.12 109.293 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.589 HD11 ' CE2' ' A' ' 109' ' ' TYR . 0.1 OUTLIER -98.91 166.92 12.2 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.558 1.161 . . . . 75.43 109.347 179.969 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . 0.773 ' O ' HG21 ' A' ' 68' ' ' ILE . 18.2 Cg_endo -75.01 112.43 3.56 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.514 1.797 . . . . 64.4 110.962 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.426 ' HG3' ' CB ' ' A' ' 35' ' ' LYS . 26.4 tt0 -59.21 163.3 3.86 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.524 1.14 . . . . 74.43 110.253 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.5 ' CD1' ' OH ' ' A' ' 49' ' ' TYR . 14.8 tt -83.09 169.66 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.151 . . . . 73.53 109.326 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . 0.751 ' O ' HG21 ' A' ' 4' ' ' THR . 4.9 m-20 -71.43 -47.69 54.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.415 1.072 . . . . 74.13 109.265 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.496 ' CB ' ' OG1' ' A' ' 4' ' ' THR . 0.1 OUTLIER -143.36 162.35 35.96 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.146 . . . . 72.31 109.306 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.568 ' O ' HG23 ' A' ' 32' ' ' ILE . 1.4 ptm180 -108.34 94.79 5.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.437 1.085 . . . . 73.31 110.312 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.665 ' NZ ' ' CE1' ' A' ' 104' ' ' PHE . 0.8 OUTLIER -167.82 122.69 1.0 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.389 1.056 . . . . 65.41 109.302 179.97 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.635 ' HE2' HG12 ' A' ' 63' ' ' VAL . 32.0 m-85 -146.88 132.0 18.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 72.34 111.046 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.59 ' CD2' ' HA ' ' A' ' 30' ' ' PRO . 3.3 mt -112.26 77.32 1.03 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 74.33 109.321 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.672 HG11 ' CD1' ' A' ' 60' ' ' PHE . 20.9 m -78.73 148.34 72.59 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.509 1.13 . . . . 63.4 109.296 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 177.02 9.12 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.456 1.766 . . . . 72.44 111.071 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -90.47 18.66 5.96 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.434 1.083 . . . . 72.45 109.3 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 69.1 m-20 -119.85 -38.43 2.96 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.129 . . . . 72.41 109.258 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 1.9 tp -57.24 137.89 55.39 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.427 1.079 . . . . 73.35 109.343 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.514 HG22 ' CD1' ' A' ' 90' ' ' LEU . 1.3 p -95.87 -158.01 0.62 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.547 1.155 . . . . 33.54 110.409 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 2.7 t -87.6 -41.64 14.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 O-C-N 124.491 1.119 . . . . 60.44 109.285 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -73.53 -6.75 71.81 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.489 1.118 . . . . 73.23 110.968 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -98.79 -24.74 14.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.381 0.695 . . . . 74.53 110.262 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.672 ' CD1' HG11 ' A' ' 51' ' ' VAL . 12.2 t80 -78.41 -50.89 10.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 73.03 111.029 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.675 HG13 ' CG2' ' A' ' 76' ' ' ILE . 63.8 t -41.7 -36.1 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.446 1.091 . . . . 73.01 109.314 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -56.65 -52.99 62.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.14 . . . . 74.54 111.124 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.881 HG21 ' C ' ' B' ' 630' ' ' ALA . 77.5 t -60.09 -39.17 79.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 65.32 109.319 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.528 HD12 ' SG ' ' A' ' 33' ' ' CYS . 24.6 mm -66.46 -34.42 70.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 O-C-N 124.476 1.11 . . . . 74.05 109.301 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 4.5 tpp85 -80.68 -3.67 51.53 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.401 1.063 . . . . 63.25 110.325 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 12.2 mttt -89.45 -46.2 8.88 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.531 1.144 . . . . 71.45 109.301 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . 0.495 ' HG3' HD11 ' A' ' 44' ' ' ILE . 2.9 mmp_? -52.95 -59.36 4.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.1 . . . . 74.15 110.369 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.773 HG21 ' O ' ' A' ' 42' ' ' PRO . 6.2 pt -79.98 -4.98 7.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 74.21 109.253 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . 0.495 ' CG ' ' O ' ' A' ' 68' ' ' ILE . 5.9 ptp 42.54 44.14 3.46 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.531 1.145 . . . . 64.34 110.968 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.474 HD12 ' HA ' ' A' ' 70' ' ' LEU . 5.3 tp -61.64 140.53 95.15 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.541 1.151 . . . . 62.43 109.342 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.434 ' HD3' ' HA ' ' A' ' 70' ' ' LEU . 18.4 Cg_endo -75.08 169.74 21.93 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.504 1.792 . . . . 75.31 110.965 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -0.67 10.25 Favored 'Trans proline' 0 C--N 1.362 1.27 0 O-C-N 124.468 1.772 . . . . 73.31 110.978 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 17.1 pt-20 -90.64 2.94 55.43 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.543 1.152 . . . . 75.11 110.266 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 19.2 mttt -121.53 -178.96 3.94 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.509 1.13 . . . . 74.24 109.291 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -139.11 147.08 41.48 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.576 1.172 . . . . 54.01 109.334 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.911 HD11 ' CD2' ' A' ' 109' ' ' TYR . 1.1 tt -142.88 121.66 8.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.411 1.069 . . . . 71.13 109.336 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.521 ' HB3' HD11 ' A' ' 84' ' ' LEU . 65.8 m-85 -122.16 140.57 52.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 70.23 110.931 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.6 ' CG2' ' CG2' ' A' ' 107' ' ' VAL . 9.1 mm -85.33 149.8 4.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 70.04 109.264 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -139.87 126.14 20.05 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 63.12 111.048 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.559 ' O ' HG22 ' A' ' 83' ' ' THR . 2.2 t -128.84 116.76 42.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.434 1.084 . . . . 75.21 109.302 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . 0.499 ' O ' ' CB ' ' A' ' 82' ' ' ASP . 1.8 m-80 64.03 19.9 11.96 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.57 1.168 . . . . 74.42 109.271 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . 0.499 ' CB ' ' O ' ' A' ' 81' ' ' ASN . 3.9 m-20 81.61 24.7 0.24 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 75.13 109.319 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . 0.559 HG22 ' O ' ' A' ' 80' ' ' VAL . 0.7 OUTLIER -131.76 135.17 46.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.112 . . . . 74.25 110.322 -179.941 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.663 HD22 HD21 ' A' ' 113' ' ' ASN . 0.2 OUTLIER -91.48 112.45 54.29 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.46 1.1 . . . . 64.22 109.268 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 163.55 35.18 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.491 1.785 . . . . 73.14 110.988 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . 0.736 ' HD2' ' HB2' ' A' ' 89' ' ' ALA . 18.2 Cg_endo -75.02 -164.97 0.26 Allowed 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.469 1.773 . . . . 70.44 111.017 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 4.8 p -96.12 -31.95 12.75 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.453 1.096 . . . . 62.41 110.399 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -86.42 11.27 12.8 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.555 1.159 . . . . 71.44 109.369 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 1.069 ' HB1' HD11 ' A' ' 94' ' ' ILE . . . -75.84 60.37 1.33 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 73.43 109.324 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.531 ' C ' ' O ' ' A' ' 89' ' ' ALA . 0.4 OUTLIER -28.95 114.99 0.09 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 71.21 109.303 179.94 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' MET . . . . . 0.543 ' SD ' HG21 ' A' ' 51' ' ' VAL . 0.0 OUTLIER -36.55 -32.17 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.612 1.195 . . . . 71.21 111.004 179.976 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . 0.45 ' N ' ' O ' ' A' ' 90' ' ' LEU . 1.3 t -62.79 -56.62 15.8 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.436 1.085 . . . . 61.22 110.006 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . 0.407 ' N ' ' O ' ' A' ' 90' ' ' LEU . . . -63.37 -13.31 37.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.434 1.083 . . . . 70.44 109.235 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 1.069 HD11 ' HB1' ' A' ' 89' ' ' ALA . 29.7 mm -87.48 -41.02 14.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.489 1.118 . . . . 61.53 109.352 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' TYR . . . . . 0.783 ' CD2' HD23 ' A' ' 105' ' ' LEU . 7.7 t80 -79.28 -5.65 54.9 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.554 1.159 . . . . 52.14 110.95 -179.9 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . 0.454 ' O ' ' CG ' ' A' ' 96' ' ' GLN . 1.4 tt0 -101.87 -10.12 20.13 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.559 1.162 . . . . 73.33 110.248 -179.905 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -120.45 -7.59 9.69 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.446 1.091 . . . . 70.13 110.332 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . 0.486 ' CE1' ' ND2' ' A' ' 81' ' ' ASN . 25.0 m-70 -126.99 16.55 7.32 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.555 1.159 . . . . 62.03 109.544 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.49 ' HB3' ' O ' ' A' ' 95' ' ' TYR . 0.1 OUTLIER -60.61 156.19 17.12 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.552 1.157 . . . . 60.42 109.287 -179.94 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -128.47 175.78 8.25 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.448 1.092 . . . . 64.51 109.303 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . 0.465 ' HA ' ' CE ' ' A' ' 101' ' ' LYS . 4.0 mmpt? -50.91 -57.38 8.65 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.424 1.078 . . . . 74.24 109.29 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . 0.539 ' HB3' ' CE1' ' A' ' 11' ' ' PHE . 0.5 OUTLIER -56.93 -19.92 20.61 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.484 1.115 . . . . 52.35 109.215 -179.912 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . 0.421 ' O ' ' CZ ' ' A' ' 95' ' ' TYR . . . 91.01 -25.78 13.1 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.466 1.104 . . . . 42.14 110.929 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . 0.665 ' CE1' ' NZ ' ' A' ' 48' ' ' LYS . 13.5 m-85 -68.9 145.81 53.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.444 0.732 . . . . 73.23 111.089 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.783 HD23 ' CD2' ' A' ' 95' ' ' TYR . 0.3 OUTLIER -86.94 143.09 27.54 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 74.42 109.34 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . 0.443 ' OH ' ' NH1' ' A' ' 14' ' ' ARG . 84.6 m-85 -120.74 95.09 4.57 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.486 1.116 . . . . 64.4 111.015 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . 0.6 ' CG2' ' CG2' ' A' ' 78' ' ' ILE . 12.0 p -106.82 169.31 2.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.538 1.149 . . . . 71.32 109.389 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . 0.49 ' N ' HG22 ' A' ' 107' ' ' VAL . 0.6 OUTLIER -152.75 158.17 41.9 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.511 1.132 . . . . 74.21 110.326 -179.939 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' TYR . . . . . 0.911 ' CD2' HD11 ' A' ' 76' ' ' ILE . 36.1 p90 -140.75 141.45 34.86 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.477 1.11 . . . . 63.54 111.012 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . 0.41 ' OG ' ' HB3' ' A' ' 36' ' ' ALA . 19.5 m -138.66 174.79 10.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.455 1.097 . . . . 73.5 110.018 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -87.92 2.69 85.82 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.528 1.143 . . . . 54.34 111.005 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 20.1 pm0 -118.29 149.82 40.5 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.433 0.725 . . . . 65.25 110.334 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . 0.663 HD21 HD22 ' A' ' 84' ' ' LEU . 18.4 t-20 . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.439 1.087 . . . . 71.13 109.282 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 629' ' ' ILE . . . . . 0.473 HD13 ' H ' ' A' ' 50' ' ' LEU . 1.2 pp . . . . . 0 N--CA 1.452 -0.351 0 N-CA-C 109.311 -0.626 . . . . 61.41 109.311 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 630' ' ' ALA . . . . . 0.881 ' C ' HG21 ' A' ' 63' ' ' VAL . . . . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.111 . . . . 73.25 109.32 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.451 ' OG1' ' N ' ' A' ' 5' ' ' PHE . 8.3 p . . . . . 0 N--CA 1.452 -0.336 0 N-CA-C 110.438 -0.208 . . . . 74.44 110.438 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . 0.612 ' CE2' ' OH ' ' A' ' 9' ' ' TYR . 69.0 t80 -71.6 -31.36 66.84 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.6 1.187 . . . . 75.11 111.075 179.897 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 1.034 ' HZ1' HG21 ' A' ' 32' ' ' ILE . 0.6 OUTLIER -80.64 -53.34 6.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 72.11 109.282 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 29.5 t -59.47 -15.36 17.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.571 1.17 . . . . 63.35 109.946 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . 0.575 ' HB3' ' CD1' ' A' ' 9' ' ' TYR . 8.9 tt0 -54.74 -46.92 74.37 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.468 1.105 . . . . 75.05 110.328 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . 0.612 ' OH ' ' CE2' ' A' ' 5' ' ' PHE . 1.9 p90 -134.46 167.28 23.6 Favored Pre-proline 0 C--N 1.326 -0.434 0 O-C-N 124.425 1.078 . . . . 62.13 110.948 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -178.68 4.34 Favored 'Trans proline' 0 C--N 1.361 1.211 0 O-C-N 124.493 1.786 . . . . 44.44 110.986 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.648 ' CE2' ' CD ' ' A' ' 101' ' ' LYS . 6.2 t80 -68.22 -48.03 66.25 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 73.12 110.927 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -52.97 -19.19 2.43 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 72.25 110.294 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -93.42 -51.5 4.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 72.31 109.376 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 11.6 ptp180 -60.85 -20.55 61.99 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.445 1.091 . . . . 72.4 110.231 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.432 ' HD3' ' CE1' ' A' ' 11' ' ' PHE . 34.9 pttt -81.4 -42.89 19.76 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.522 1.139 . . . . 63.02 109.322 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -57.57 -23.81 52.73 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.447 1.092 . . . . 52.13 109.251 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.439 ' O ' ' CG ' ' A' ' 20' ' ' ARG . 13.4 tp10 -68.32 -57.11 6.44 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 64.25 110.209 -179.911 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 20.2 p -59.01 -15.77 14.89 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 73.4 110.045 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -79.94 -25.36 40.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 72.31 110.363 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.927 HH21 ' CD ' ' A' ' 24' ' ' ARG . 13.9 ptm180 -101.85 -25.94 13.63 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.522 1.139 . . . . 74.03 110.257 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 27.1 mt -63.63 -22.01 29.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 70.13 109.294 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -74.17 -19.0 60.7 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.453 1.096 . . . . 53.32 109.27 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -97.36 -42.68 7.64 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.466 1.104 . . . . 74.04 109.303 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.927 ' CD ' HH21 ' A' ' 20' ' ' ARG . 4.1 mtp85 -69.48 -51.89 31.68 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.491 1.119 . . . . 72.2 110.317 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.551 ' CE2' ' HB3' ' A' ' 24' ' ' ARG . 3.4 m-85 -142.27 91.89 7.66 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.505 1.128 . . . . 64.32 111.06 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 -33.28 4.8 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.47 1.774 . . . . 74.2 110.987 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.612 HD22 ' N ' ' A' ' 27' ' ' ASN . 0.9 OUTLIER -91.02 40.22 1.02 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.385 1.053 . . . . 72.44 109.351 179.968 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.461 ' CG ' ' HB3' ' A' ' 25' ' ' PHE . 11.8 mmt180 -124.11 170.17 10.96 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.365 1.04 . . . . 75.13 110.313 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.489 HD12 ' HA ' ' A' ' 92' ' ' SER . 22.2 mm -133.06 96.24 17.88 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.543 1.152 . . . . 73.21 109.345 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.629 ' HA ' HD22 ' A' ' 50' ' ' LEU . 18.2 Cg_endo -74.94 105.51 2.09 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.487 1.782 . . . . 64.02 110.981 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.504 HG13 HG22 ' A' ' 51' ' ' VAL . 0.9 OUTLIER -118.82 169.63 9.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.431 1.082 . . . . 75.34 109.293 179.961 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 1.034 HG21 ' HZ1' ' A' ' 6' ' ' LYS . 4.0 mm -134.7 106.16 7.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 65.24 109.259 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.567 ' HB3' ' CE1' ' A' ' 49' ' ' TYR . 0.5 OUTLIER -83.69 139.74 32.59 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.404 1.065 . . . . 43.2 108.286 179.974 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.487 ' O ' ' CG2' ' A' ' 108' ' ' THR . 6.7 tp10 -149.86 156.71 42.25 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.528 1.143 . . . . 74.13 110.18 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.418 ' CD ' ' HB3' ' A' ' 39' ' ' SER . 0.0 OUTLIER -94.12 126.91 39.63 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.471 1.107 . . . . 74.11 109.317 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.509 ' HB3' ' HB2' ' A' ' 39' ' ' SER . . . -53.74 179.46 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 61.54 109.316 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.451 ' CG ' ' N ' ' A' ' 38' ' ' LYS . 11.1 pt-20 -96.44 -50.95 4.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.414 1.071 . . . . 72.1 110.279 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.451 ' N ' ' CG ' ' A' ' 37' ' ' GLU . 50.3 mttp -59.74 -37.03 77.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 70.13 109.272 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.509 ' HB2' ' HB3' ' A' ' 36' ' ' ALA . 3.3 t -39.98 159.59 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.45 1.094 . . . . 61.22 109.985 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 75.2 m-20 -121.98 1.9 9.87 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.586 1.179 . . . . 65.12 109.283 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.597 HD11 ' CE2' ' A' ' 109' ' ' TYR . 0.1 OUTLIER -79.88 167.99 29.54 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.44 1.088 . . . . 75.43 109.275 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . 0.433 ' O ' HG21 ' A' ' 68' ' ' ILE . 18.0 Cg_endo -75.07 125.2 9.12 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.491 1.785 . . . . 64.4 110.974 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -66.2 146.82 54.18 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.435 1.084 . . . . 74.43 110.339 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.733 HD11 ' HG3' ' A' ' 67' ' ' ARG . 13.8 tt -67.11 170.28 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.46 1.1 . . . . 73.53 109.325 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -72.25 -44.33 63.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.421 1.075 . . . . 74.13 109.296 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -149.83 164.98 33.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 72.31 109.295 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.675 ' HB2' HG22 ' A' ' 32' ' ' ILE . 2.1 ptm180 -106.99 95.68 5.89 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.484 1.115 . . . . 73.31 110.302 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.576 ' HB2' ' CD2' ' A' ' 5' ' ' PHE . 17.8 tptt -166.6 116.43 0.92 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.555 1.159 . . . . 65.41 109.268 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.701 ' HE2' HG12 ' A' ' 63' ' ' VAL . 20.3 m-85 -141.67 115.22 8.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.441 1.088 . . . . 72.34 111.015 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.629 HD22 ' HA ' ' A' ' 30' ' ' PRO . 0.3 OUTLIER -98.33 77.13 2.35 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.567 1.167 . . . . 74.33 109.346 -179.969 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.939 HG21 ' SD ' ' A' ' 91' ' ' MET . 6.4 m -82.82 146.28 52.15 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.102 . . . . 63.4 109.225 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . 0.47 ' HD3' ' CB ' ' B' ' 630' ' ' ALA . 18.4 Cg_endo -74.95 -178.23 4.01 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.452 1.764 . . . . 72.44 110.994 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -91.84 18.77 7.27 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.486 1.116 . . . . 72.45 109.332 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -118.1 -38.48 3.21 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.462 1.101 . . . . 72.41 109.266 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.576 HD12 ' N ' ' A' ' 56' ' ' THR . 0.0 OUTLIER -57.93 130.38 46.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.547 1.154 . . . . 73.35 109.269 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.576 ' N ' HD12 ' A' ' 55' ' ' LEU . 2.4 p -90.19 -164.09 1.11 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.113 . . . . 33.54 110.409 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 2.4 t -84.12 -60.57 2.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.548 1.155 . . . . 60.44 109.355 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -57.17 -21.48 39.48 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.429 1.081 . . . . 73.23 110.989 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . 0.499 ' HB2' ' CD1' ' A' ' 55' ' ' LEU . 9.6 mt-30 -88.63 -28.31 20.73 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.432 0.725 . . . . 74.53 110.352 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.675 ' CE1' HG11 ' A' ' 51' ' ' VAL . 54.2 t80 -69.35 -38.67 78.23 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.124 . . . . 73.03 111.034 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.719 HG22 HG12 ' A' ' 78' ' ' ILE . 85.4 t -49.06 -47.19 17.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 73.01 109.231 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.552 ' CD1' ' C ' ' A' ' 62' ' ' TYR . 0.1 OUTLIER -44.82 -32.7 1.65 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 74.54 110.995 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.729 HG21 ' CA ' ' B' ' 630' ' ' ALA . 97.7 t -74.38 -39.49 48.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.43 1.081 . . . . 65.32 109.26 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.615 ' CD1' ' CE2' ' A' ' 49' ' ' TYR . 4.0 mm -67.79 -33.5 62.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.549 1.156 . . . . 74.05 109.35 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 2.3 tpp180 -77.86 -3.24 40.63 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.52 1.137 . . . . 63.25 110.291 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.452 ' HD2' ' CE1' ' A' ' 62' ' ' TYR . 15.3 mttt -90.23 -50.11 6.17 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.14 . . . . 71.45 109.279 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . 0.733 ' HG3' HD11 ' A' ' 44' ' ' ILE . 6.7 mmp_? -53.01 -66.43 0.39 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.556 1.16 . . . . 74.15 110.332 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.713 HD11 HD12 ' A' ' 76' ' ' ILE . 6.0 pt -72.32 -5.37 6.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.446 1.091 . . . . 74.21 109.385 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . 0.508 ' CG ' ' O ' ' A' ' 68' ' ' ILE . 6.0 ptp 42.88 42.82 3.22 Favored 'General case' 0 C--N 1.327 -0.381 0 O-C-N 124.41 1.069 . . . . 64.34 111.059 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.51 HD22 HD12 ' A' ' 68' ' ' ILE . 4.8 tp -62.11 140.65 96.0 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 62.43 109.299 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.442 ' HD3' ' HA ' ' A' ' 70' ' ' LEU . 18.3 Cg_endo -75.05 170.89 19.41 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.514 1.797 . . . . 75.31 110.94 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 0.23 9.18 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.507 1.793 . . . . 73.31 111.03 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -93.28 7.25 45.14 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.438 1.086 . . . . 75.11 110.281 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -125.31 179.9 4.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.555 1.159 . . . . 74.24 109.35 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -136.58 149.13 47.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.145 . . . . 54.01 109.309 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.777 HD11 ' CD2' ' A' ' 109' ' ' TYR . 1.5 tt -149.45 120.01 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.396 1.06 . . . . 71.13 109.279 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.643 ' HB3' HD11 ' A' ' 84' ' ' LEU . 52.1 m-85 -120.67 142.74 49.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.107 . . . . 70.23 110.995 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.719 HG12 HG22 ' A' ' 61' ' ' VAL . 11.3 mm -84.8 139.55 17.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.569 1.168 . . . . 70.04 109.298 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . 0.605 ' CZ ' HD13 ' A' ' 84' ' ' LEU . 6.9 m-85 -131.34 130.88 43.25 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.484 1.115 . . . . 63.12 111.076 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.691 HG12 ' ND2' ' A' ' 81' ' ' ASN . 2.8 t -130.27 118.73 44.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.453 1.096 . . . . 75.21 109.323 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . 0.691 ' ND2' HG12 ' A' ' 80' ' ' VAL . 2.4 m-80 60.82 19.36 9.57 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.535 1.147 . . . . 74.42 109.29 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . 0.493 ' CB ' ' O ' ' A' ' 81' ' ' ASN . 9.3 t0 81.08 25.7 0.25 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.439 1.087 . . . . 75.13 109.341 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . 0.486 ' O ' ' CG2' ' A' ' 83' ' ' THR . 0.6 OUTLIER -133.15 112.94 12.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.107 . . . . 74.25 110.388 -179.94 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.643 HD11 ' HB3' ' A' ' 77' ' ' PHE . 0.3 OUTLIER -71.99 113.81 23.53 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.524 1.14 . . . . 64.22 109.306 179.967 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 165.32 31.58 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.482 1.78 . . . . 73.14 111.018 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . 0.739 ' HD2' ' HB2' ' A' ' 89' ' ' ALA . 18.5 Cg_endo -74.94 -167.27 0.4 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.586 1.835 . . . . 70.44 111.02 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 2.0 p -93.68 -32.13 14.17 Favored 'General case' 0 C--N 1.327 -0.406 0 O-C-N 124.449 1.093 . . . . 62.41 110.451 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -86.38 11.66 11.86 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.487 1.117 . . . . 71.44 109.306 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 1.02 ' HB1' HD11 ' A' ' 94' ' ' ILE . . . -76.01 60.57 1.42 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.118 . . . . 73.43 109.301 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.539 ' CD1' HG22 ' A' ' 56' ' ' THR . 0.4 OUTLIER -28.99 115.64 0.1 Allowed 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.493 1.12 . . . . 71.21 109.424 179.926 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' MET . . . . . 0.939 ' SD ' HG21 ' A' ' 51' ' ' VAL . 0.3 OUTLIER -37.05 -31.1 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.546 1.154 . . . . 71.21 110.978 -179.973 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . 0.489 ' HA ' HD12 ' A' ' 29' ' ' ILE . 1.5 t -67.81 -53.71 24.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.605 1.191 . . . . 61.22 110.001 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . 0.452 ' N ' ' O ' ' A' ' 90' ' ' LEU . . . -63.27 -13.16 35.1 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.561 1.163 . . . . 70.44 109.242 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 1.02 HD11 ' HB1' ' A' ' 89' ' ' ALA . 26.8 mm -88.28 -41.7 14.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.42 1.075 . . . . 61.53 109.376 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' TYR . . . . . 0.707 ' CD2' HD23 ' A' ' 105' ' ' LEU . 4.7 t80 -74.78 -9.02 58.16 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.44 1.088 . . . . 52.14 111.022 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . 0.467 ' O ' ' CG ' ' A' ' 96' ' ' GLN . 15.5 tp60 -100.99 -8.97 21.9 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.388 1.055 . . . . 73.33 110.301 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -118.3 -8.12 10.63 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 70.13 110.325 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . 0.589 ' HD2' HG23 ' A' ' 94' ' ' ILE . 61.4 m-70 -128.42 14.97 6.63 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.48 1.113 . . . . 62.03 109.624 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.489 ' HB3' ' O ' ' A' ' 95' ' ' TYR . 0.1 OUTLIER -55.75 154.68 6.66 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.525 1.141 . . . . 60.42 109.306 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -124.66 171.59 9.94 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.507 1.129 . . . . 64.51 109.268 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . 0.648 ' CD ' ' CE2' ' A' ' 11' ' ' PHE . 0.1 OUTLIER -55.44 -43.04 75.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 74.24 109.362 179.947 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . 0.493 ' HB3' ' CE2' ' A' ' 11' ' ' PHE . 1.0 OUTLIER -72.01 -15.48 62.05 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.124 . . . . 52.35 109.277 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 88.77 -39.27 3.13 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.532 1.145 . . . . 42.14 111.046 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . 0.434 ' CE2' ' HB3' ' A' ' 17' ' ' GLU . 0.4 OUTLIER -56.99 132.11 51.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 0.751 . . . . 73.23 110.866 -179.968 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.707 HD23 ' CD2' ' A' ' 95' ' ' TYR . 0.2 OUTLIER -77.37 151.16 34.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 74.42 109.342 179.97 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 94.3 m-85 -130.62 95.9 3.98 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.496 1.122 . . . . 64.4 111.05 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . 0.603 ' CG2' ' CG2' ' A' ' 78' ' ' ILE . 11.5 p -106.07 171.44 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.533 1.145 . . . . 71.32 109.291 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . 0.532 ' H ' HG22 ' A' ' 107' ' ' VAL . 0.3 OUTLIER -152.47 161.12 43.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.112 . . . . 74.21 110.42 179.983 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' TYR . . . . . 0.777 ' CD2' HD11 ' A' ' 76' ' ' ILE . 46.7 p90 -140.74 134.3 30.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.438 1.086 . . . . 63.54 110.94 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 22.9 t -136.33 157.56 46.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.377 1.048 . . . . 73.5 110.014 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -85.2 2.42 88.2 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.563 1.164 . . . . 54.34 111.048 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -121.69 124.53 44.49 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.547 0.793 . . . . 65.25 110.312 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 11.5 t-20 . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.405 1.065 . . . . 71.13 109.301 -179.967 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 629' ' ' ILE . . . . . 0.535 ' C ' HG11 ' A' ' 63' ' ' VAL . 1.2 pp . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 109.294 -0.632 . . . . 61.41 109.294 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 630' ' ' ALA . . . . . 0.729 ' CA ' HG21 ' A' ' 63' ' ' VAL . . . . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.144 . . . . 73.25 109.248 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.477 ' OG1' ' CG ' ' A' ' 47' ' ' ARG . 2.0 p . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 110.417 -0.216 . . . . 74.44 110.417 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . 0.591 ' O ' ' CE1' ' A' ' 9' ' ' TYR . 9.5 t80 -64.05 -10.59 22.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 75.11 110.995 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 13.1 tmtt? -98.44 -15.02 19.8 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 72.11 109.194 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -110.16 5.15 21.71 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.527 1.142 . . . . 63.35 109.998 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . 0.563 ' HB3' ' CE2' ' A' ' 9' ' ' TYR . 0.0 OUTLIER -82.35 0.7 40.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 75.05 110.28 -179.945 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . 0.591 ' CE1' ' O ' ' A' ' 5' ' ' PHE . 0.3 OUTLIER 179.55 169.77 0.61 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 62.13 110.98 -179.94 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 178.95 6.58 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.462 1.77 . . . . 44.44 110.987 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.565 ' HB2' HH21 ' A' ' 14' ' ' ARG . 4.4 t80 -71.08 -39.56 72.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 73.12 111.031 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.436 ' HA ' ' CD ' ' A' ' 15' ' ' LYS . 46.8 mt-10 -64.14 -10.78 24.86 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.513 1.133 . . . . 72.25 110.312 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -86.47 -58.14 2.73 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.501 1.125 . . . . 72.31 109.369 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.565 HH21 ' HB2' ' A' ' 11' ' ' PHE . 8.2 ptt180 -63.04 -45.08 93.95 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.483 1.115 . . . . 72.4 110.371 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.476 ' N ' ' CG ' ' A' ' 14' ' ' ARG . 39.0 pttt -47.4 -40.16 17.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.13 . . . . 63.02 109.255 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -68.36 -34.88 76.88 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.523 1.139 . . . . 52.13 109.311 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.446 ' N ' ' O ' ' A' ' 14' ' ' ARG . 24.8 tp10 -64.32 -39.81 94.65 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 64.25 110.361 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -74.95 -16.99 60.62 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.559 1.162 . . . . 73.4 110.054 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -75.09 -25.07 58.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.452 1.095 . . . . 72.31 110.309 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 13.3 ptm180 -101.82 -31.5 10.71 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.493 1.121 . . . . 74.03 110.281 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 3.9 mt -64.28 -19.6 25.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.488 1.117 . . . . 70.13 109.291 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -76.34 -14.43 60.09 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.474 1.109 . . . . 53.32 109.267 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -105.24 -39.43 6.19 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.46 1.1 . . . . 74.04 109.362 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.552 ' HB3' ' CE1' ' A' ' 25' ' ' PHE . 15.0 mmm-85 -68.07 -49.07 63.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.556 1.16 . . . . 72.2 110.231 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.552 ' CE1' ' HB3' ' A' ' 24' ' ' ARG . 0.9 OUTLIER -133.92 77.47 62.54 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.571 1.169 . . . . 64.32 110.943 -179.966 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 -24.95 12.32 Favored 'Trans proline' 0 C--N 1.358 1.068 0 O-C-N 124.528 1.804 . . . . 74.2 110.961 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 36.2 m-20 -91.94 21.97 4.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.438 1.087 . . . . 72.44 109.207 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.57 ' HB3' HD11 ' A' ' 50' ' ' LEU . 9.3 mmt-85 -114.41 -177.45 3.13 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.451 1.095 . . . . 75.13 110.245 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.638 HG23 ' CB ' ' A' ' 95' ' ' TYR . 35.8 mm -146.31 98.66 4.28 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.545 1.153 . . . . 73.21 109.351 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.563 ' HD2' ' CE1' ' A' ' 95' ' ' TYR . 18.4 Cg_endo -74.93 141.26 26.64 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.387 1.73 . . . . 64.02 110.97 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.804 HG23 ' HB3' ' A' ' 105' ' ' LEU . 5.5 p -159.92 152.77 5.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 75.34 109.309 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.506 ' CG2' ' CB ' ' A' ' 47' ' ' ARG . 21.8 mm -113.06 115.48 49.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.438 1.086 . . . . 65.24 109.319 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.584 ' SG ' HD12 ' A' ' 64' ' ' ILE . 1.0 OUTLIER -90.38 111.88 23.28 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 43.2 108.324 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.716 ' HA ' HH21 ' A' ' 47' ' ' ARG . 87.7 tt0 -113.44 153.93 27.82 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.509 1.131 . . . . 74.13 110.246 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.89 ' HZ3' ' CB ' ' A' ' 39' ' ' SER . 0.4 OUTLIER -93.17 121.29 34.38 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.444 1.09 . . . . 74.11 109.406 179.969 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.476 ' CB ' ' HB3' ' A' ' 110' ' ' SER . . . -52.93 172.83 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.136 . . . . 61.54 109.299 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.419 ' HG3' ' N ' ' A' ' 38' ' ' LYS . 18.7 pt-20 -96.73 -48.0 5.66 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.105 . . . . 72.1 110.318 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.419 ' N ' ' HG3' ' A' ' 37' ' ' GLU . 8.8 mttp -52.38 -47.12 66.38 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.493 1.12 . . . . 70.13 109.289 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.89 ' CB ' ' HZ3' ' A' ' 35' ' ' LYS . 0.1 OUTLIER -48.58 173.6 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.427 1.079 . . . . 61.22 110.028 -179.93 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -137.61 19.1 2.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 65.12 109.301 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.616 HG23 ' OG ' ' A' ' 39' ' ' SER . 0.1 OUTLIER -81.68 168.26 25.55 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.465 1.103 . . . . 75.43 109.221 -179.925 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . 0.516 ' O ' HG21 ' A' ' 68' ' ' ILE . 18.2 Cg_endo -75.01 125.48 9.34 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.51 1.795 . . . . 64.4 111.012 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -63.82 148.6 48.91 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.546 1.153 . . . . 74.43 110.349 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.514 ' CD1' ' OH ' ' A' ' 49' ' ' TYR . 11.7 tt -69.01 170.37 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.581 1.176 . . . . 73.53 109.275 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -75.06 -44.69 46.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 74.13 109.304 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.485 ' HZ1' ' HD2' ' A' ' 67' ' ' ARG . 0.1 OUTLIER -144.46 168.42 20.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.125 . . . . 72.31 109.258 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.716 HH21 ' HA ' ' A' ' 34' ' ' GLU . 0.7 OUTLIER -112.1 94.02 4.74 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.469 1.106 . . . . 73.31 110.312 -179.973 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.65 ' NZ ' ' CE1' ' A' ' 104' ' ' PHE . 0.0 OUTLIER -167.1 121.02 1.0 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.452 1.095 . . . . 65.41 109.326 -179.956 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.591 ' CE2' HD13 ' A' ' 64' ' ' ILE . 28.1 m-85 -146.9 108.46 4.31 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.504 1.128 . . . . 72.34 111.049 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.57 HD11 ' HB3' ' A' ' 28' ' ' ARG . 15.3 tp -104.41 76.72 1.33 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 74.33 109.248 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.709 HG11 ' CD1' ' A' ' 60' ' ' PHE . 28.8 m -77.19 157.25 81.19 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.396 1.06 . . . . 63.4 109.247 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 175.62 11.0 Favored 'Trans proline' 0 C--N 1.361 1.213 0 O-C-N 124.443 1.76 . . . . 72.44 111.029 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -87.99 17.96 4.57 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.585 1.178 . . . . 72.45 109.325 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -117.63 -38.14 3.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 72.41 109.311 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.501 ' CD1' ' O ' ' B' ' 630' ' ' ALA . 0.4 OUTLIER -57.48 133.8 55.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 73.35 109.22 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.409 HG23 ' OE1' ' A' ' 59' ' ' GLN . 0.7 OUTLIER -94.25 -173.85 3.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.577 1.173 . . . . 33.54 110.397 179.927 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 2.6 t -73.37 -42.54 57.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.427 1.079 . . . . 60.44 109.278 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -72.25 -6.6 65.5 Favored Glycine 0 CA--C 1.529 0.927 0 O-C-N 124.454 1.096 . . . . 73.23 111.058 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . 0.423 ' CB ' ' HG ' ' A' ' 55' ' ' LEU . 14.5 mt-30 -99.29 -23.22 15.26 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 0.776 . . . . 74.53 110.312 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.709 ' CD1' HG11 ' A' ' 51' ' ' VAL . 34.1 t80 -76.68 -54.2 6.97 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.508 1.13 . . . . 73.03 110.96 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.757 HG13 ' CG2' ' A' ' 76' ' ' ILE . 90.7 t -40.08 -36.89 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.475 1.109 . . . . 73.01 109.29 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.568 ' CD1' ' HD3' ' A' ' 66' ' ' LYS . 0.5 OUTLIER -56.61 -54.53 44.98 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.497 1.123 . . . . 74.54 111.015 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.996 HG21 ' C ' ' B' ' 630' ' ' ALA . 77.5 t -58.63 -39.56 76.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.11 . . . . 65.32 109.289 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.627 HD11 ' CZ ' ' A' ' 60' ' ' PHE . 16.0 mm -59.45 -48.35 87.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.478 1.111 . . . . 74.05 109.334 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.499 HH21 HG22 ' A' ' 76' ' ' ILE . 9.7 tpp85 -61.97 -33.52 74.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 63.25 110.35 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.568 ' HD3' ' CD1' ' A' ' 62' ' ' TYR . 0.1 OUTLIER -61.8 -53.45 55.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 71.45 109.235 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . 0.485 ' HD2' ' HZ1' ' A' ' 46' ' ' LYS . 1.2 mmp_? -48.6 -66.51 0.39 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.504 1.127 . . . . 74.15 110.31 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.813 HD11 HD12 ' A' ' 76' ' ' ILE . 5.5 pt -69.3 -7.65 8.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.505 1.128 . . . . 74.21 109.285 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . 0.511 ' CG ' ' O ' ' A' ' 68' ' ' ILE . 6.7 ptp 43.47 41.18 3.13 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.495 1.122 . . . . 64.34 110.964 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.497 HD22 HD12 ' A' ' 68' ' ' ILE . 5.0 tp -62.28 141.03 96.31 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.597 1.186 . . . . 62.43 109.364 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.91 172.56 16.09 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.508 1.793 . . . . 75.31 111.022 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -2.87 13.11 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.496 1.788 . . . . 73.31 110.991 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -86.1 3.18 43.71 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.563 1.164 . . . . 75.11 110.324 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 10.5 mttp -133.73 -178.97 5.25 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.477 1.11 . . . . 74.24 109.253 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -139.15 177.11 8.14 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.462 1.101 . . . . 54.01 109.299 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.813 HD12 HD11 ' A' ' 68' ' ' ILE . 1.0 OUTLIER -161.83 116.51 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.439 1.087 . . . . 71.13 109.279 -179.951 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.474 ' CE1' ' HB2' ' A' ' 113' ' ' ASN . 82.4 m-85 -116.35 140.99 48.74 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 70.23 111.012 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.655 ' CG1' HG22 ' A' ' 61' ' ' VAL . 5.1 mm -84.18 150.83 3.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 O-C-N 124.558 1.162 . . . . 70.04 109.297 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . 0.511 ' CD1' HD12 ' A' ' 84' ' ' LEU . 2.8 m-85 -145.8 117.38 8.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 63.12 110.998 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.672 HG11 ' CD2' ' A' ' 98' ' ' HIS . 1.5 t -119.45 110.65 30.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.573 1.171 . . . . 75.21 109.365 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . 0.497 ' O ' ' CB ' ' A' ' 82' ' ' ASP . 2.9 m-80 66.78 21.7 10.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.099 . . . . 74.42 109.29 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . 0.497 ' CB ' ' O ' ' A' ' 81' ' ' ASN . 4.1 m-20 81.66 21.14 0.33 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 75.13 109.304 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . 0.599 HG22 ' O ' ' A' ' 80' ' ' VAL . 0.7 OUTLIER -124.58 135.08 52.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.145 . . . . 74.25 110.427 179.972 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.603 HD22 HD21 ' A' ' 113' ' ' ASN . 0.2 OUTLIER -95.6 111.14 54.55 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 64.22 109.285 -179.965 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 163.52 35.2 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.483 1.78 . . . . 73.14 111.007 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . 0.717 ' HG2' ' HB2' ' A' ' 89' ' ' ALA . 18.0 Cg_endo -75.08 -167.05 0.39 Allowed 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.493 1.786 . . . . 70.44 110.95 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 2.2 p -97.1 -35.34 10.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 62.41 110.365 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -82.39 5.28 20.89 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.458 1.099 . . . . 71.44 109.302 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 1.067 ' HB1' HD11 ' A' ' 94' ' ' ILE . . . -76.06 61.0 1.49 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.466 1.104 . . . . 73.43 109.292 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.593 ' C ' ' O ' ' A' ' 89' ' ' ALA . 0.3 OUTLIER -24.58 124.11 0.05 OUTLIER 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.537 1.148 . . . . 71.21 109.283 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 40.4 mmm -49.42 -21.29 0.87 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 71.21 111.004 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 3.2 p -68.54 -48.16 65.02 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.423 1.077 . . . . 61.22 109.932 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -73.56 -13.34 61.01 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.561 1.163 . . . . 70.44 109.379 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 1.067 HD11 ' HB1' ' A' ' 89' ' ' ALA . 18.3 mm -87.02 -43.46 15.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.458 1.099 . . . . 61.53 109.306 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' TYR . . . . . 0.711 ' CD1' HD23 ' A' ' 105' ' ' LEU . 2.2 t80 -76.02 -4.43 41.19 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.604 1.19 . . . . 52.14 111.039 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . 0.432 ' O ' ' CG ' ' A' ' 96' ' ' GLN . 1.6 tt0 -102.81 -10.78 18.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.562 1.164 . . . . 73.33 110.215 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -120.81 -6.16 9.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 70.13 110.254 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . 0.744 ' HB2' HD11 ' A' ' 105' ' ' LEU . 10.7 m-70 -122.11 11.29 10.18 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.526 1.141 . . . . 62.03 109.571 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.495 ' HB3' ' O ' ' A' ' 95' ' ' TYR . 0.1 OUTLIER -67.37 157.83 33.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 60.42 109.287 -179.974 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . 0.43 ' O ' ' N ' ' A' ' 103' ' ' GLY . 0.1 OUTLIER -130.75 175.37 9.09 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.527 1.142 . . . . 64.51 109.275 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 36.9 mtmt -45.89 -50.45 14.43 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.491 1.119 . . . . 74.24 109.252 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . 0.412 ' HB3' ' CE2' ' A' ' 11' ' ' PHE . 0.4 OUTLIER -63.5 -31.77 73.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 52.35 109.234 -179.942 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . 0.43 ' N ' ' O ' ' A' ' 100' ' ' ASP . . . 100.62 -37.75 3.44 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.456 1.097 . . . . 42.14 110.979 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . 0.65 ' CE1' ' NZ ' ' A' ' 48' ' ' LYS . 2.9 m-85 -58.04 121.83 11.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 0.747 . . . . 73.23 110.972 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.804 ' HB3' HG23 ' A' ' 31' ' ' VAL . 0.3 OUTLIER -63.54 144.63 56.83 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.412 1.07 . . . . 74.42 109.302 179.945 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . 0.498 ' OH ' ' CZ ' ' A' ' 14' ' ' ARG . 34.7 m-85 -121.59 88.14 2.88 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 64.4 111.007 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . 0.589 HG22 HG23 ' A' ' 78' ' ' ILE . 6.0 p -101.0 170.43 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.541 1.15 . . . . 71.32 109.289 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . 0.513 HG23 ' HB3' ' A' ' 34' ' ' GLU . 0.2 OUTLIER -152.92 137.16 16.53 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.514 1.134 . . . . 74.21 110.402 -179.969 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' TYR . . . . . 0.768 ' CD2' HD11 ' A' ' 76' ' ' ILE . 41.3 p90 -118.57 134.7 54.9 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.444 1.09 . . . . 63.54 111.058 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . 0.476 ' HB3' ' CB ' ' A' ' 36' ' ' ALA . 2.9 p -137.99 135.07 35.61 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.45 1.094 . . . . 73.5 110.043 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -57.53 -16.04 20.22 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.533 1.146 . . . . 54.34 110.932 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . 0.409 ' O ' ' OG ' ' A' ' 110' ' ' SER . 4.4 pt-20 -102.22 125.33 48.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.45 0.736 . . . . 65.25 110.275 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . 0.603 HD21 HD22 ' A' ' 84' ' ' LEU . 9.9 t-20 . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.125 . . . . 71.13 109.296 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 629' ' ' ILE . . . . . 0.607 ' C ' HD12 ' B' ' 629' ' ' ILE . 1.5 pp . . . . . 0 N--CA 1.454 -0.243 0 N-CA-C 109.313 -0.625 . . . . 61.41 109.313 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 630' ' ' ALA . . . . . 0.996 ' C ' HG21 ' A' ' 63' ' ' VAL . . . . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.54 1.15 . . . . 73.25 109.332 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.442 ' O ' ' N ' ' A' ' 7' ' ' SER . 2.8 p . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 110.411 -0.218 . . . . 74.44 110.411 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . 0.596 ' CE2' ' OH ' ' A' ' 9' ' ' TYR . 0.8 OUTLIER -47.43 -23.74 0.67 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.49 1.119 . . . . 75.11 111.001 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.472 ' HG3' ' CZ ' ' A' ' 14' ' ' ARG . 13.2 tttm -100.46 -26.56 13.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.112 . . . . 72.11 109.288 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . 0.442 ' N ' ' O ' ' A' ' 4' ' ' THR . 0.6 OUTLIER -72.8 -3.67 26.88 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.608 1.193 . . . . 63.35 110.047 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . 0.477 ' HB3' ' CD1' ' A' ' 9' ' ' TYR . 35.6 tt0 -85.05 -56.22 3.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 75.05 110.267 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . 0.596 ' OH ' ' CE2' ' A' ' 5' ' ' PHE . 0.3 OUTLIER -121.06 168.93 9.81 Favored Pre-proline 0 C--N 1.324 -0.528 0 O-C-N 124.501 1.126 . . . . 62.13 111.003 179.972 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -176.76 3.04 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.547 1.814 . . . . 44.44 110.969 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.53 ' CD1' ' C ' ' A' ' 11' ' ' PHE . 0.2 OUTLIER -70.84 -36.58 72.95 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.129 . . . . 73.12 110.963 -179.961 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 -59.18 -20.24 52.13 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 72.25 110.339 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.45 ' HA ' ' CE ' ' A' ' 13' ' ' LYS . 1.3 tpmt? -77.68 -22.7 50.14 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.141 . . . . 72.31 109.257 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.601 ' NH2' HH21 ' A' ' 47' ' ' ARG . 0.2 OUTLIER -91.34 -39.16 12.18 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.434 1.084 . . . . 72.4 110.212 -179.899 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 40.5 pttt -60.99 -38.4 85.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 63.02 109.27 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -78.19 -21.32 50.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.103 . . . . 52.13 109.308 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 26.8 tp10 -75.32 -56.45 4.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 64.25 110.336 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 51.9 p -59.52 -15.74 19.95 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.613 1.195 . . . . 73.4 109.955 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -68.76 -23.34 64.31 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.492 1.12 . . . . 72.31 110.297 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 8.6 mtm180 -101.75 -37.98 8.07 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.514 1.134 . . . . 74.03 110.344 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 11.4 mt -59.16 -20.98 18.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.54 1.15 . . . . 70.13 109.292 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -76.2 -25.03 54.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.46 1.1 . . . . 53.32 109.289 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -92.9 -20.08 21.01 Favored 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.548 1.155 . . . . 74.04 109.283 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 7.1 mtp180 -90.12 -60.76 1.84 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 72.2 110.361 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -126.79 84.26 63.43 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 64.32 110.977 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 -24.5 12.85 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.588 1.836 . . . . 74.2 111.057 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.437 ' OD1' ' N ' ' A' ' 27' ' ' ASN . 0.1 OUTLIER -94.41 41.73 1.09 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.605 1.191 . . . . 72.44 109.333 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.503 ' O ' HD13 ' A' ' 29' ' ' ILE . 9.3 mmt85 -130.87 179.41 5.99 Favored 'General case' 0 C--N 1.327 -0.403 0 O-C-N 124.493 1.121 . . . . 75.13 110.187 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.503 HD13 ' O ' ' A' ' 28' ' ' ARG . 41.0 mm -141.4 97.59 6.76 Favored Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.475 1.11 . . . . 73.21 109.292 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.575 ' HD2' ' CE2' ' A' ' 95' ' ' TYR . 18.4 Cg_endo -75.03 126.45 9.96 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.514 1.797 . . . . 64.02 110.991 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.411 ' O ' ' O ' ' A' ' 49' ' ' TYR . 0.9 OUTLIER -137.16 173.73 12.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.51 1.131 . . . . 75.34 109.23 -179.965 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.662 HG22 ' HB2' ' A' ' 47' ' ' ARG . 6.2 mm -135.68 98.4 2.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.108 . . . . 65.24 109.297 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.646 ' HA ' HG13 ' A' ' 107' ' ' VAL . 1.7 t -73.64 136.65 43.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.543 1.152 . . . . 43.2 108.246 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.961 ' HB3' HG23 ' A' ' 108' ' ' THR . 8.5 tm-20 -144.37 161.13 39.76 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.491 1.119 . . . . 74.13 110.267 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.533 ' HG2' ' CE2' ' A' ' 109' ' ' TYR . 0.0 OUTLIER -117.44 128.45 55.02 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.439 1.087 . . . . 74.11 109.258 -179.949 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.422 ' N ' ' HD2' ' A' ' 35' ' ' LYS . . . -69.55 134.74 49.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.546 1.154 . . . . 61.54 109.338 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.426 ' CG ' ' N ' ' A' ' 38' ' ' LYS . 10.3 pt-20 -60.3 -53.25 59.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.571 1.169 . . . . 72.1 110.336 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.426 ' N ' ' CG ' ' A' ' 37' ' ' GLU . 10.6 mmmt -41.05 -45.0 2.56 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.632 1.207 . . . . 70.13 109.259 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.4 ' O ' ' O ' ' A' ' 38' ' ' LYS . 2.1 t -43.76 166.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 61.22 109.986 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 33.0 t0 -113.87 -5.97 13.22 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.128 . . . . 65.12 109.247 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.614 HD11 ' CE2' ' A' ' 109' ' ' TYR . 0.1 OUTLIER -74.39 165.65 51.68 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.536 1.147 . . . . 75.43 109.362 179.953 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . 0.419 ' O ' HG21 ' A' ' 68' ' ' ILE . 18.2 Cg_endo -75.0 126.57 10.06 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.506 1.793 . . . . 64.4 110.983 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -63.47 145.22 56.06 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.464 1.103 . . . . 74.43 110.224 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.545 HD11 ' OH ' ' A' ' 49' ' ' TYR . 10.5 tt -68.82 160.94 4.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.432 1.083 . . . . 73.53 109.209 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . 0.413 ' OD2' ' CD ' ' A' ' 46' ' ' LYS . 0.6 OUTLIER -64.27 -45.65 87.1 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.534 1.146 . . . . 74.13 109.293 179.951 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.494 ' N ' ' CD ' ' A' ' 46' ' ' LYS . 0.0 OUTLIER -153.81 163.03 40.72 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.459 1.099 . . . . 72.31 109.256 -179.905 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.662 ' HB2' HG22 ' A' ' 32' ' ' ILE . 9.2 ptm180 -109.48 95.49 5.66 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.463 1.102 . . . . 73.31 110.395 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.579 ' HB2' ' CD2' ' A' ' 5' ' ' PHE . 25.6 tptt -166.53 106.91 0.66 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 65.41 109.275 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.572 ' CE1' ' HB3' ' A' ' 33' ' ' CYS . 15.9 m-85 -133.36 150.46 51.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 72.34 111.074 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.446 HD13 ' HA ' ' A' ' 30' ' ' PRO . 6.9 tp -135.2 77.9 1.7 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.444 1.09 . . . . 74.33 109.311 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.737 HG11 ' CD1' ' A' ' 60' ' ' PHE . 16.0 m -79.6 151.3 74.22 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.501 1.126 . . . . 63.4 109.257 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . 0.468 ' HD3' ' CB ' ' B' ' 630' ' ' ALA . 18.1 Cg_endo -75.06 -178.24 4.04 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.539 1.81 . . . . 72.44 110.879 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -93.81 17.84 11.35 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.434 1.083 . . . . 72.45 109.277 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.523 ' O ' ' CD2' ' A' ' 90' ' ' LEU . 0.2 OUTLIER -118.66 -35.58 3.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.632 1.207 . . . . 72.41 109.283 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.619 HD13 ' HB1' ' B' ' 630' ' ' ALA . 0.4 OUTLIER -60.71 132.42 53.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.417 1.073 . . . . 73.35 109.285 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.724 HG22 ' CD2' ' A' ' 90' ' ' LEU . 9.4 p -93.8 172.93 7.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.099 . . . . 33.54 110.382 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.4 ' HB ' ' O ' ' A' ' 86' ' ' PRO . 2.3 t -58.77 -55.59 22.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.582 1.176 . . . . 60.44 109.306 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -60.24 -13.99 31.1 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.568 1.167 . . . . 73.23 110.982 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . 0.457 ' CG ' ' OG1' ' A' ' 56' ' ' THR . 3.6 mm100 -89.14 -26.47 21.3 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.504 0.767 . . . . 74.53 110.292 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.737 ' CD1' HG11 ' A' ' 51' ' ' VAL . 55.1 t80 -76.1 -49.54 17.13 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.426 1.079 . . . . 73.03 110.994 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.81 HG13 ' CG2' ' A' ' 76' ' ' ILE . 48.4 t -41.77 -41.11 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.543 1.152 . . . . 73.01 109.353 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -51.76 -44.59 63.41 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.444 1.09 . . . . 74.54 111.004 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.597 HG21 ' CA ' ' B' ' 630' ' ' ALA . 68.8 t -65.23 -45.37 93.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.368 1.043 . . . . 65.32 109.333 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.598 HG21 ' CG ' ' A' ' 109' ' ' TYR . 4.4 mm -60.47 -33.32 53.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 74.05 109.342 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.611 HH21 HG22 ' A' ' 76' ' ' ILE . 9.2 tpp85 -79.98 -3.28 47.66 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 63.25 110.25 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 1.2 mttm -93.46 -46.88 7.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.559 1.162 . . . . 71.45 109.342 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . 0.416 ' HG3' HD11 ' A' ' 44' ' ' ILE . 4.2 mmp_? -52.7 -58.18 7.68 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.559 1.162 . . . . 74.15 110.264 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.498 ' O ' ' CG ' ' A' ' 69' ' ' MET . 7.1 pt -83.61 -3.47 7.62 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 O-C-N 124.519 1.137 . . . . 74.21 109.331 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . 0.498 ' CG ' ' O ' ' A' ' 68' ' ' ILE . 4.9 ptp 42.77 44.03 3.64 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.438 1.086 . . . . 64.34 110.981 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.468 ' HB3' ' CD ' ' A' ' 65' ' ' ARG . 5.0 tp -62.59 140.91 96.9 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.641 1.213 . . . . 62.43 109.316 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 169.82 21.78 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.441 1.758 . . . . 75.31 111.002 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -74.94 -0.43 9.93 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.555 1.818 . . . . 73.31 110.999 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -92.0 6.6 45.74 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.544 1.153 . . . . 75.11 110.269 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.05 -179.37 4.13 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.521 1.138 . . . . 74.24 109.308 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -138.54 143.68 39.58 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.476 1.11 . . . . 54.01 109.248 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.81 ' CG2' HG13 ' A' ' 61' ' ' VAL . 2.1 tt -138.17 121.44 20.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.442 1.089 . . . . 71.13 109.297 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.668 ' HB3' HD21 ' A' ' 84' ' ' LEU . 90.9 m-85 -119.38 134.87 55.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.442 1.089 . . . . 70.23 110.999 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.596 ' O ' HD23 ' A' ' 84' ' ' LEU . 1.9 mm -84.39 138.03 19.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 70.04 109.268 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -127.28 125.2 40.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 63.12 111.056 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.734 ' O ' HG22 ' A' ' 83' ' ' THR . 2.6 t -130.16 105.85 12.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.54 1.15 . . . . 75.21 109.34 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . 0.478 ' ND2' ' CE1' ' A' ' 98' ' ' HIS . 1.5 m-80 71.2 21.93 4.57 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.487 1.117 . . . . 74.42 109.275 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . 0.465 ' CB ' ' O ' ' A' ' 81' ' ' ASN . 1.0 OUTLIER 80.69 24.51 0.32 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.52 1.138 . . . . 75.13 109.274 179.964 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . 0.734 HG22 ' O ' ' A' ' 80' ' ' VAL . 1.2 t -125.51 148.33 48.92 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.408 1.067 . . . . 74.25 110.429 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.668 HD21 ' HB3' ' A' ' 77' ' ' PHE . 1.8 mt -106.15 105.35 53.51 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 64.22 109.252 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.1 153.24 41.15 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.551 1.816 . . . . 73.14 111.024 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . 0.726 ' HD2' ' HB2' ' A' ' 89' ' ' ALA . 18.6 Cg_endo -74.88 177.01 9.11 Favored 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.535 1.808 . . . . 70.44 111.049 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 20.8 p -78.29 -33.24 49.54 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.424 1.078 . . . . 62.41 110.421 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -79.63 3.37 19.24 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 124.531 1.144 . . . . 71.44 109.266 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 1.048 ' HB1' HD11 ' A' ' 94' ' ' ILE . . . -77.49 60.34 2.07 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.375 1.047 . . . . 73.43 109.342 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.724 ' CD2' HG22 ' A' ' 56' ' ' THR . 12.9 mt -28.98 117.94 0.12 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.44 1.088 . . . . 71.21 109.334 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' MET . . . . . 0.591 ' HE2' HG21 ' A' ' 51' ' ' VAL . 49.5 mmm -38.55 -28.92 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.506 1.129 . . . . 71.21 110.993 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . 0.454 ' N ' ' O ' ' A' ' 90' ' ' LEU . 1.0 OUTLIER -66.7 -51.92 50.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.457 1.098 . . . . 61.22 109.948 -179.959 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . 0.448 ' N ' ' O ' ' A' ' 90' ' ' LEU . . . -68.37 -9.41 47.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.541 1.151 . . . . 70.44 109.292 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 1.048 HD11 ' HB1' ' A' ' 89' ' ' ALA . 24.1 mm -90.8 -47.07 14.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.457 1.098 . . . . 61.53 109.247 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' TYR . . . . . 0.833 ' CD2' HD23 ' A' ' 105' ' ' LEU . 7.1 t80 -70.04 -6.31 32.68 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.557 1.161 . . . . 52.14 111.073 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . 0.448 ' O ' ' CG ' ' A' ' 96' ' ' GLN . 2.3 tp60 -101.01 -9.84 21.08 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.41 1.069 . . . . 73.33 110.293 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -116.93 -11.46 10.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.14 . . . . 70.13 110.243 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . 0.478 ' CE1' ' ND2' ' A' ' 81' ' ' ASN . 36.8 m-70 -125.97 16.91 7.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.45 1.093 . . . . 62.03 109.668 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.474 ' HB3' ' O ' ' A' ' 95' ' ' TYR . 0.1 OUTLIER -55.46 156.51 4.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.548 1.155 . . . . 60.42 109.195 -179.875 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -125.02 170.16 11.42 Favored 'General case' 0 C--N 1.326 -0.413 0 O-C-N 124.485 1.116 . . . . 64.51 109.269 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 32.6 mtmt -60.03 -27.04 66.57 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 74.24 109.347 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . 0.475 ' HB3' ' CE2' ' A' ' 11' ' ' PHE . 0.5 OUTLIER -86.19 -15.92 39.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.433 1.083 . . . . 52.35 109.243 -179.972 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . 0.591 ' O ' ' CE2' ' A' ' 95' ' ' TYR . . . 90.63 -36.45 3.59 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.513 1.133 . . . . 42.14 110.948 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 18.4 m-85 -64.12 131.67 48.19 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.429 0.723 . . . . 73.23 110.991 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.833 HD23 ' CD2' ' A' ' 95' ' ' TYR . 0.2 OUTLIER -75.55 147.88 39.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.607 1.192 . . . . 74.42 109.414 179.964 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 60.0 m-85 -121.95 95.24 4.58 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.415 1.072 . . . . 64.4 111.038 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . 0.646 HG13 ' HA ' ' A' ' 33' ' ' CYS . 2.6 p -105.23 165.57 3.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.527 1.142 . . . . 71.32 109.372 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . 0.961 HG23 ' HB3' ' A' ' 34' ' ' GLU . 0.4 OUTLIER -154.57 118.2 4.59 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.122 . . . . 74.21 110.382 179.967 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' TYR . . . . . 0.664 ' CD2' HD11 ' A' ' 76' ' ' ILE . 32.6 p90 -97.76 137.49 36.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.455 1.097 . . . . 63.54 110.976 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 1.2 p -132.3 158.22 42.42 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.532 1.145 . . . . 73.5 110.001 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' GLY . . . . . 0.478 ' HA3' ' CG2' ' A' ' 41' ' ' ILE . . . -81.87 0.95 87.77 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.473 1.108 . . . . 54.34 110.995 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -122.83 158.96 29.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 0.774 . . . . 65.25 110.387 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . 0.508 ' ND2' HD13 ' A' ' 84' ' ' LEU . 9.3 t-20 . . . . . 0 C--N 1.324 -0.536 0 O-C-N 124.425 1.078 . . . . 71.13 109.327 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 629' ' ' ILE . . . . . 0.585 ' HA ' HG11 ' A' ' 63' ' ' VAL . 0.5 OUTLIER . . . . . 0 CA--C 1.531 0.222 0 N-CA-C 109.209 -0.663 . . . . 61.41 109.209 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 630' ' ' ALA . . . . . 0.619 ' HB1' HD13 ' A' ' 55' ' ' LEU . . . . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 73.25 109.284 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 110.332 -0.247 . . . . 74.44 110.332 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . 0.641 ' CZ ' ' OH ' ' A' ' 9' ' ' TYR . 28.7 t80 -63.95 -16.97 62.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.54 1.15 . . . . 75.11 111.109 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.54 ' HE2' ' CE2' ' A' ' 106' ' ' TYR . 4.9 tptt -100.64 -14.99 17.92 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.487 1.117 . . . . 72.11 109.312 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 10.0 t -96.03 5.28 51.53 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.524 1.14 . . . . 63.35 110.005 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -80.9 -64.67 1.14 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.553 1.158 . . . . 75.05 110.27 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . 0.641 ' OH ' ' CZ ' ' A' ' 5' ' ' PHE . 4.7 p90 -112.5 166.39 11.09 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.456 1.097 . . . . 62.13 111.008 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -74.97 -176.76 3.03 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.514 1.797 . . . . 44.44 111.056 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.458 ' CE1' ' HD3' ' A' ' 15' ' ' LYS . 22.7 t80 -63.86 -50.21 69.73 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.515 1.134 . . . . 73.12 111.004 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 25.6 mt-10 -47.78 -21.1 0.35 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.553 1.158 . . . . 72.25 110.347 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.52 ' HB3' ' CD2' ' A' ' 9' ' ' TYR . 0.1 OUTLIER -86.55 -54.5 4.37 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.548 1.155 . . . . 72.31 109.311 179.945 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.507 ' CZ ' ' OH ' ' A' ' 106' ' ' TYR . 22.0 ptt180 -65.47 -12.89 56.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 72.4 110.271 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.458 ' HD3' ' CE1' ' A' ' 11' ' ' PHE . 26.3 pttt -87.94 -40.62 13.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.549 1.156 . . . . 63.02 109.293 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -80.55 -8.43 59.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.573 1.17 . . . . 52.13 109.302 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.413 ' O ' ' CG ' ' A' ' 20' ' ' ARG . 3.3 tp10 -86.7 -61.98 1.61 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.519 1.137 . . . . 64.25 110.322 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.404 ' OG ' ' O ' ' A' ' 14' ' ' ARG . 0.0 OUTLIER -56.55 -17.99 10.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.102 . . . . 73.4 109.937 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -75.25 -37.37 61.02 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.463 1.102 . . . . 72.31 110.286 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.413 ' CG ' ' O ' ' A' ' 17' ' ' GLU . 6.3 ptm180 -87.19 -27.77 22.81 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.397 1.06 . . . . 74.03 110.253 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.432 ' O ' ' N ' ' A' ' 25' ' ' PHE . 3.6 mt -58.55 -19.84 15.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.129 . . . . 70.13 109.321 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -70.48 -29.79 66.42 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.515 1.135 . . . . 53.32 109.298 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -84.12 -40.0 18.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.569 1.168 . . . . 74.04 109.284 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.56 ' HB3' ' CE2' ' A' ' 25' ' ' PHE . 10.7 mtp180 -80.29 -18.47 49.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.577 1.173 . . . . 72.2 110.302 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.56 ' CE2' ' HB3' ' A' ' 24' ' ' ARG . 39.7 m-85 -159.37 75.36 3.21 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 64.32 110.997 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -38.07 1.73 Allowed 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.491 1.785 . . . . 74.2 110.947 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 35.1 m-20 -91.74 41.48 1.07 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 72.44 109.314 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.56 ' HB3' HD11 ' A' ' 50' ' ' LEU . 2.6 mmt-85 -129.6 -178.43 4.68 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.127 . . . . 75.13 110.327 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.576 HG23 ' CB ' ' A' ' 95' ' ' TYR . 34.9 mm -146.56 97.11 4.35 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.462 1.101 . . . . 73.21 109.254 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.592 ' HD2' ' CE2' ' A' ' 95' ' ' TYR . 18.4 Cg_endo -74.93 139.93 25.04 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.48 1.779 . . . . 64.02 111.007 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.7 HG23 ' HB3' ' A' ' 105' ' ' LEU . 7.5 p -156.96 139.57 6.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 75.34 109.312 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.48 HG23 ' HB2' ' A' ' 47' ' ' ARG . 12.3 mm -100.24 116.77 44.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 65.24 109.352 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.576 ' HB2' ' CD2' ' A' ' 49' ' ' TYR . 0.5 OUTLIER -99.56 130.36 45.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 43.2 108.258 -179.948 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.733 ' CG ' HG23 ' A' ' 108' ' ' THR . 7.6 pt-20 -127.4 166.07 18.58 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 74.13 110.267 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.512 ' HG2' ' CE1' ' A' ' 109' ' ' TYR . 0.0 OUTLIER -107.62 97.41 7.14 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.484 1.115 . . . . 74.11 109.231 -179.922 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.566 ' HB2' HG22 ' A' ' 108' ' ' THR . . . -38.7 141.93 0.24 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.432 1.083 . . . . 61.54 109.303 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.422 ' CG ' ' N ' ' A' ' 38' ' ' LYS . 9.9 pt-20 -67.95 -53.07 29.0 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.467 1.104 . . . . 72.1 110.242 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.422 ' N ' ' CG ' ' A' ' 37' ' ' GLU . 35.9 mttp -47.16 -25.29 0.86 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.453 1.095 . . . . 70.13 109.306 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.413 ' N ' ' C ' ' A' ' 37' ' ' GLU . 2.9 t -59.79 156.69 13.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 61.22 110.034 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -115.95 -0.58 12.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.111 . . . . 65.12 109.334 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.577 HD11 ' CE1' ' A' ' 109' ' ' TYR . 0.1 OUTLIER -77.78 170.08 17.97 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 75.43 109.297 -179.971 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . 0.406 ' HD2' ' HB ' ' A' ' 41' ' ' ILE . 18.2 Cg_endo -75.02 129.34 12.24 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.599 1.842 . . . . 64.4 110.93 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 14.0 tt0 -57.96 166.34 1.53 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.432 1.082 . . . . 74.43 110.285 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.41 HD11 ' OH ' ' A' ' 49' ' ' TYR . 17.3 tt -96.54 167.37 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 73.53 109.217 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . 0.653 ' HB3' ' HZ3' ' A' ' 46' ' ' LYS . 7.9 t0 -69.23 -51.75 34.62 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.415 1.072 . . . . 74.13 109.356 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.653 ' HZ3' ' HB3' ' A' ' 45' ' ' ASP . 0.0 OUTLIER -144.45 177.07 8.91 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.524 1.14 . . . . 72.31 109.363 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.48 ' HB2' HG23 ' A' ' 32' ' ' ILE . 7.7 ptp180 -124.42 92.74 3.73 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 73.31 110.291 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.591 ' HG3' ' CZ ' ' A' ' 5' ' ' PHE . 4.1 tmtt? -167.69 115.09 0.75 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.443 1.089 . . . . 65.41 109.3 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.642 ' CZ ' ' CD1' ' A' ' 64' ' ' ILE . 58.5 m-85 -139.21 116.11 10.88 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.542 1.151 . . . . 72.34 110.946 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.56 HD11 ' HB3' ' A' ' 28' ' ' ARG . 11.6 tp -106.32 75.55 1.09 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 74.33 109.243 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.832 HG21 ' SD ' ' A' ' 91' ' ' MET . 34.1 m -75.11 156.06 86.07 Favored Pre-proline 0 C--N 1.324 -0.536 0 O-C-N 124.492 1.12 . . . . 63.4 109.312 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -74.88 174.3 12.99 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.411 1.743 . . . . 72.44 111.055 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -87.38 18.81 3.57 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 72.45 109.355 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -120.11 -38.38 2.94 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 72.41 109.359 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.594 HD21 ' O ' ' B' ' 630' ' ' ALA . 0.7 OUTLIER -58.53 148.93 26.84 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.44 1.088 . . . . 73.35 109.269 179.944 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.484 HG22 HD12 ' A' ' 90' ' ' LEU . 1.3 p -106.61 -158.2 0.65 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 33.54 110.405 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.682 ' O ' HG23 ' A' ' 61' ' ' VAL . 2.6 t -86.81 -41.37 14.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 60.44 109.192 -179.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -66.73 -27.73 73.42 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.5 1.125 . . . . 73.23 111.044 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . 0.417 ' CB ' ' HG ' ' A' ' 55' ' ' LEU . 11.6 mt-30 -81.16 -25.52 36.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 0.776 . . . . 74.53 110.275 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.407 ' HE1' ' CD1' ' A' ' 49' ' ' TYR . 36.0 t80 -78.85 -42.6 27.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 73.03 110.988 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.719 HG13 HG23 ' A' ' 76' ' ' ILE . 89.6 t -55.43 -32.52 29.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 73.01 109.297 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -57.11 -43.29 82.14 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.518 1.136 . . . . 74.54 110.939 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.602 HG21 ' C ' ' B' ' 630' ' ' ALA . 28.5 t -68.64 -46.5 79.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 65.32 109.328 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.642 ' CD1' ' CZ ' ' A' ' 49' ' ' TYR . 18.3 mm -59.2 -34.41 53.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.591 1.182 . . . . 74.05 109.334 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.533 ' HE ' HG22 ' A' ' 76' ' ' ILE . 6.0 tpp85 -79.36 -6.4 56.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 63.25 110.369 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 2.2 mttm -98.0 -35.69 10.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.453 1.096 . . . . 71.45 109.295 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.45 -39.79 84.78 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.565 1.165 . . . . 74.15 110.299 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.485 HD11 HD12 ' A' ' 76' ' ' ILE . 2.5 pt -103.89 6.96 10.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.461 1.101 . . . . 74.21 109.253 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 4.7 ptt? 38.11 43.42 0.56 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.443 1.089 . . . . 64.34 110.972 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.44 HD12 ' HA ' ' A' ' 70' ' ' LEU . 5.5 tp -53.47 140.48 46.23 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.424 1.077 . . . . 62.43 109.316 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 170.1 21.15 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.489 1.784 . . . . 75.31 111.003 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.92 -1.36 11.1 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.515 1.797 . . . . 73.31 110.977 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 20.1 pt-20 -94.12 -14.91 25.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.109 . . . . 75.11 110.337 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 11.8 mttt -107.43 -179.5 3.94 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.122 . . . . 74.24 109.29 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -144.71 170.26 16.42 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.467 1.105 . . . . 54.01 109.36 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.811 HD11 ' CD1' ' A' ' 109' ' ' TYR . 1.3 tt -154.49 129.44 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 71.13 109.311 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.723 ' HB3' HD11 ' A' ' 84' ' ' LEU . 95.7 m-85 -129.07 136.36 50.15 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.459 1.099 . . . . 70.23 110.997 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.647 ' CG1' HG22 ' A' ' 61' ' ' VAL . 4.8 mm -86.49 130.64 36.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.456 1.097 . . . . 70.04 109.31 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -119.98 121.17 38.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.572 1.17 . . . . 63.12 111.039 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.814 HG22 ' ND2' ' A' ' 81' ' ' ASN . 13.1 p -124.33 113.58 37.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 75.21 109.311 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . 0.814 ' ND2' HG22 ' A' ' 80' ' ' VAL . 0.9 OUTLIER 67.25 32.44 6.0 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.467 1.104 . . . . 74.42 109.315 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 15.1 t0 66.35 14.54 9.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.423 1.077 . . . . 75.13 109.297 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . 0.51 ' O ' ' CG2' ' A' ' 83' ' ' THR . 0.5 OUTLIER -125.45 111.75 15.46 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.436 1.085 . . . . 74.25 110.382 -179.961 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.723 HD11 ' HB3' ' A' ' 77' ' ' PHE . 0.4 OUTLIER -72.11 116.87 53.07 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.539 1.149 . . . . 64.22 109.32 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . 0.423 ' HD3' HG12 ' A' ' 80' ' ' VAL . 18.3 Cg_endo -74.91 159.87 41.12 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.375 1.724 . . . . 73.14 111.005 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . 0.786 ' HD2' ' HB2' ' A' ' 89' ' ' ALA . 18.8 Cg_endo -75.0 177.85 8.05 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.544 1.813 . . . . 70.44 111.003 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 4.6 p -79.33 -33.6 42.97 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.507 1.13 . . . . 62.41 110.403 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -84.08 9.62 12.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.1 . . . . 71.44 109.347 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 1.052 ' HB1' HD11 ' A' ' 94' ' ' ILE . . . -74.71 63.2 1.12 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 73.43 109.27 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.531 ' C ' ' O ' ' A' ' 89' ' ' ALA . 0.7 OUTLIER -30.37 111.19 0.07 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 71.21 109.333 179.97 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' MET . . . . . 0.832 ' SD ' HG21 ' A' ' 51' ' ' VAL . 0.0 OUTLIER -37.37 -30.27 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.135 . . . . 71.21 110.961 -179.965 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . 0.46 ' N ' ' O ' ' A' ' 90' ' ' LEU . 2.2 t -63.37 -52.23 62.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.146 . . . . 61.22 110.009 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . 0.463 ' N ' ' O ' ' A' ' 90' ' ' LEU . . . -67.99 -32.45 72.85 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.456 1.097 . . . . 70.44 109.207 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 1.052 HD11 ' HB1' ' A' ' 89' ' ' ALA . 25.5 mm -64.49 -47.1 90.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.426 1.079 . . . . 61.53 109.308 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' TYR . . . . . 0.592 ' CE2' ' HD2' ' A' ' 30' ' ' PRO . 33.6 t80 -70.54 -4.58 23.7 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.465 1.103 . . . . 52.14 110.935 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . 0.454 ' CG ' ' O ' ' A' ' 96' ' ' GLN . 32.3 tp60 -104.19 -9.21 18.82 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.406 1.067 . . . . 73.33 110.383 179.882 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . 0.553 ' HG3' ' CE1' ' A' ' 98' ' ' HIS . 10.4 pt-20 -119.59 -7.61 10.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.142 . . . . 70.13 110.307 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . 0.582 ' HD2' HG23 ' A' ' 94' ' ' ILE . 23.7 m-70 -129.51 17.6 5.88 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.384 1.052 . . . . 62.03 109.627 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.494 ' HB3' ' O ' ' A' ' 95' ' ' TYR . 0.1 OUTLIER -60.29 160.25 8.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 60.42 109.293 -180.0 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -125.91 166.3 17.15 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 64.51 109.284 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 24.4 mtmt -54.02 -47.47 71.5 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.536 1.148 . . . . 74.24 109.292 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . 0.405 ' OD1' ' NE ' ' A' ' 14' ' ' ARG . 0.4 OUTLIER -66.95 -19.95 65.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.43 1.081 . . . . 52.35 109.262 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 101.04 -39.38 2.76 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.547 1.154 . . . . 42.14 111.035 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . 0.459 ' O ' ' CE1' ' A' ' 106' ' ' TYR . 1.5 m-85 -59.54 134.6 57.17 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.421 0.718 . . . . 73.23 110.996 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.7 ' HB3' HG23 ' A' ' 31' ' ' VAL . 4.3 tp -81.13 167.32 19.81 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.452 1.095 . . . . 74.42 109.251 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . 0.54 ' CE2' ' HE2' ' A' ' 6' ' ' LYS . 91.7 m-85 -145.07 131.54 19.75 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.511 1.132 . . . . 64.4 111.007 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . 0.734 HG23 ' N ' ' A' ' 108' ' ' THR . 1.5 m -138.24 -177.66 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.459 1.099 . . . . 71.32 109.319 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . 0.734 ' N ' HG23 ' A' ' 107' ' ' VAL . 1.6 m -153.67 107.88 3.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 74.21 110.374 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' TYR . . . . . 0.811 ' CD1' HD11 ' A' ' 76' ' ' ILE . 9.7 p90 -95.2 122.08 37.51 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.518 1.136 . . . . 63.54 111.01 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 35.9 t -131.98 165.3 24.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.105 . . . . 73.5 109.961 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -81.18 2.17 82.38 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.488 1.117 . . . . 54.34 111.051 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -123.2 166.89 14.46 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.493 0.76 . . . . 65.25 110.29 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 63.2 t-20 . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.101 . . . . 71.13 109.304 179.984 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 629' ' ' ILE . . . . . 0.485 ' C ' HD12 ' B' ' 629' ' ' ILE . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 109.32 -0.622 . . . . 61.41 109.32 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 630' ' ' ALA . . . . . 0.651 ' HA ' HG12 ' A' ' 51' ' ' VAL . . . . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 73.25 109.303 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.491 ' OG1' ' CB ' ' A' ' 46' ' ' LYS . 22.5 p . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 110.319 -0.252 . . . . 74.44 110.319 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . 0.598 ' CZ ' ' OH ' ' A' ' 9' ' ' TYR . 85.6 t80 -60.6 -32.54 71.66 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.097 . . . . 75.11 111.007 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.421 ' HE3' ' NH2' ' A' ' 47' ' ' ARG . 0.0 OUTLIER -100.55 3.86 43.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.456 1.098 . . . . 72.11 109.303 179.93 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 40.0 t -109.44 5.27 23.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 63.35 110.097 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -93.35 -57.92 2.46 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.465 1.103 . . . . 75.05 110.281 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . 0.598 ' OH ' ' CZ ' ' A' ' 5' ' ' PHE . 2.3 p90 -120.79 164.94 20.34 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 62.13 110.994 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.92 173.91 13.67 Favored 'Trans proline' 0 C--N 1.361 1.223 0 O-C-N 124.466 1.772 . . . . 44.44 111.078 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.547 ' CE1' ' HB3' ' A' ' 102' ' ' ASP . 4.8 t80 -59.34 -56.45 21.92 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.482 1.114 . . . . 73.12 110.981 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.402 ' N ' ' CD2' ' A' ' 11' ' ' PHE . 23.6 mt-10 -38.57 -30.14 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.64 1.213 . . . . 72.25 110.33 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.518 ' O ' ' HB3' ' A' ' 16' ' ' ALA . 2.1 tppt? -79.07 -51.6 9.35 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.581 1.175 . . . . 72.31 109.258 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.706 ' CD ' ' CD2' ' A' ' 104' ' ' PHE . 0.1 OUTLIER -56.44 -53.82 52.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 72.4 110.378 179.95 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 5.1 pttt -45.28 -42.59 9.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.138 . . . . 63.02 109.368 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.518 ' HB3' ' O ' ' A' ' 13' ' ' LYS . . . -54.96 -40.03 69.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.558 1.161 . . . . 52.13 109.314 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.441 ' N ' ' O ' ' A' ' 14' ' ' ARG . 24.9 tp10 -62.32 -43.93 97.68 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.437 1.086 . . . . 64.25 110.261 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.45 ' HB3' ' CD2' ' A' ' 104' ' ' PHE . 0.1 OUTLIER -68.97 -22.86 64.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 73.4 109.982 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 16.8 mm-40 -72.22 -23.75 61.29 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.352 1.033 . . . . 72.31 110.33 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.436 ' CG ' ' O ' ' A' ' 17' ' ' GLU . 3.3 ptp180 -101.74 -31.15 10.91 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.529 1.143 . . . . 74.03 110.235 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.418 ' N ' ' HG3' ' A' ' 20' ' ' ARG . 4.3 mt -65.94 -19.51 25.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 70.13 109.311 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -74.31 -20.02 60.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.437 1.085 . . . . 53.32 109.286 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -105.92 -11.04 16.34 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.443 1.089 . . . . 74.04 109.31 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 12.7 mmm180 -94.03 -55.24 3.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.107 . . . . 72.2 110.269 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.463 ' HB3' ' CG ' ' A' ' 28' ' ' ARG . 5.0 m-85 -132.76 86.01 45.27 Favored Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.562 1.164 . . . . 64.32 110.909 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -32.45 5.33 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.554 1.818 . . . . 74.2 111.037 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 22.7 m-20 -91.23 40.12 1.02 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.461 1.101 . . . . 72.44 109.309 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.463 ' CG ' ' HB3' ' A' ' 25' ' ' PHE . 8.4 mmt-85 -128.43 178.39 6.31 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.554 1.159 . . . . 75.13 110.275 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.57 HG23 ' CB ' ' A' ' 95' ' ' TYR . 23.6 mm -142.15 93.66 7.23 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.429 1.081 . . . . 73.21 109.279 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.597 ' HD2' ' CE2' ' A' ' 95' ' ' TYR . 18.1 Cg_endo -74.99 119.0 5.47 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.474 1.776 . . . . 64.02 111.02 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.511 HG13 HG22 ' A' ' 51' ' ' VAL . 1.0 OUTLIER -127.66 173.2 13.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.607 1.192 . . . . 75.34 109.301 -179.988 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.664 HG22 ' HB2' ' A' ' 47' ' ' ARG . 4.8 mm -137.05 99.11 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.485 1.116 . . . . 65.24 109.26 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.624 ' HA ' HG13 ' A' ' 107' ' ' VAL . 0.5 OUTLIER -84.86 123.87 30.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.138 . . . . 43.2 108.284 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.488 ' O ' ' CG2' ' A' ' 108' ' ' THR . 53.4 tt0 -135.02 152.43 51.71 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.484 1.115 . . . . 74.13 110.265 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.975 ' HZ3' ' CB ' ' A' ' 39' ' ' SER . 0.3 OUTLIER -87.44 123.82 32.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.452 1.095 . . . . 74.11 109.336 180.0 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.451 ' N ' ' HD2' ' A' ' 35' ' ' LYS . . . -57.02 -179.73 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 61.54 109.316 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.432 ' CG ' ' N ' ' A' ' 38' ' ' LYS . 12.9 pt-20 -96.96 -50.15 4.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 72.1 110.294 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.432 ' N ' ' CG ' ' A' ' 37' ' ' GLU . 38.0 mttp -57.65 -43.67 85.09 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.452 1.095 . . . . 70.13 109.319 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.975 ' CB ' ' HZ3' ' A' ' 35' ' ' LYS . 0.1 OUTLIER -40.72 158.32 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 61.22 109.976 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -122.48 21.01 10.31 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.489 1.118 . . . . 65.12 109.282 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.619 HD11 ' CE2' ' A' ' 109' ' ' TYR . 0.1 OUTLIER -89.48 166.07 22.83 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.466 1.104 . . . . 75.43 109.276 179.992 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . 0.433 ' O ' HG21 ' A' ' 68' ' ' ILE . 18.4 Cg_endo -74.98 114.71 4.09 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.524 1.802 . . . . 64.4 110.99 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -48.97 156.49 0.5 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 74.43 110.322 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.518 ' CD1' ' OH ' ' A' ' 49' ' ' TYR . 5.7 tt -92.17 164.27 2.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.554 1.159 . . . . 73.53 109.322 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . 0.437 ' N ' ' CG1' ' A' ' 44' ' ' ILE . 1.4 m-20 -55.78 -57.66 11.09 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.447 1.092 . . . . 74.13 109.307 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.491 ' CB ' ' OG1' ' A' ' 4' ' ' THR . 0.0 OUTLIER -148.79 166.71 27.65 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.425 1.078 . . . . 72.31 109.38 179.961 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.664 ' HB2' HG22 ' A' ' 32' ' ' ILE . 10.8 ptm180 -107.56 95.25 5.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.425 1.078 . . . . 73.31 110.292 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.52 ' HB2' ' CG ' ' A' ' 5' ' ' PHE . 12.5 tptp -166.34 105.7 0.65 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 65.41 109.229 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.612 ' CE2' ' CD1' ' A' ' 64' ' ' ILE . 23.8 m-85 -129.15 147.65 51.02 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.489 1.118 . . . . 72.34 110.997 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.421 HD13 ' HA ' ' A' ' 30' ' ' PRO . 3.1 tp -132.27 77.47 1.76 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.392 1.058 . . . . 74.33 109.304 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.759 HG11 ' CD1' ' A' ' 60' ' ' PHE . 19.0 m -80.62 149.83 68.74 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 63.4 109.295 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . 0.479 ' HD3' ' CB ' ' B' ' 630' ' ' ALA . 18.2 Cg_endo -75.03 -178.36 4.12 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.518 1.799 . . . . 72.44 111.029 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -93.26 18.1 10.09 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.466 1.104 . . . . 72.45 109.277 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -118.58 -38.25 3.16 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.466 1.104 . . . . 72.41 109.29 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.439 ' HG ' ' CB ' ' A' ' 59' ' ' GLN . 0.7 OUTLIER -58.53 134.38 56.65 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.502 1.126 . . . . 73.35 109.201 -179.923 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 1.045 HG22 ' CD2' ' A' ' 90' ' ' LEU . 5.0 p -94.13 176.0 6.49 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 33.54 110.374 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.408 HG23 ' O ' ' A' ' 89' ' ' ALA . 2.9 t -63.7 -48.78 85.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 60.44 109.282 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -64.64 -10.64 45.25 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.534 1.146 . . . . 73.23 111.071 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . 0.439 ' CB ' ' HG ' ' A' ' 55' ' ' LEU . 5.4 mt-30 -96.48 -25.5 15.64 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 0.752 . . . . 74.53 110.283 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.759 ' CD1' HG11 ' A' ' 51' ' ' VAL . 32.8 t80 -75.52 -47.62 26.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.579 1.174 . . . . 73.03 110.998 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.695 HG22 ' CG1' ' A' ' 78' ' ' ILE . 59.4 t -44.16 -39.29 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 O-C-N 124.378 1.049 . . . . 73.01 109.326 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.529 ' CG ' ' N ' ' A' ' 63' ' ' VAL . 0.2 OUTLIER -53.91 -62.72 1.47 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.151 . . . . 74.54 111.028 179.923 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.726 HG21 ' HA ' ' B' ' 630' ' ' ALA . 78.8 t -43.48 -36.17 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.107 . . . . 65.32 109.301 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.612 ' CD1' ' CE2' ' A' ' 49' ' ' TYR . 4.4 mm -68.84 -61.91 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 74.05 109.351 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.467 ' CD ' ' HB3' ' A' ' 70' ' ' LEU . 6.8 tpp85 -44.26 -28.1 0.49 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.528 1.142 . . . . 63.25 110.301 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.408 ' N ' ' HD2' ' A' ' 66' ' ' LYS . 2.2 mptp? -77.2 -43.62 33.01 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.502 1.126 . . . . 71.45 109.275 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . 0.464 ' N ' ' O ' ' A' ' 64' ' ' ILE . 0.4 OUTLIER -59.43 -15.08 14.83 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.478 1.111 . . . . 74.15 110.294 -179.928 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.638 HD11 ' CD1' ' A' ' 76' ' ' ILE . 2.1 pt -130.57 7.5 2.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.515 1.134 . . . . 74.21 109.306 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . 0.449 ' N ' ' O ' ' A' ' 65' ' ' ARG . 0.0 OUTLIER 35.5 34.34 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.581 1.176 . . . . 64.34 111.0 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.505 HD12 ' HA ' ' A' ' 70' ' ' LEU . 5.9 tp -49.32 140.01 13.42 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.442 1.088 . . . . 62.43 109.323 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' ' 70' ' ' LEU . 18.2 Cg_endo -75.04 165.72 30.66 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.579 1.831 . . . . 75.31 111.016 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 1.15 8.08 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.517 1.798 . . . . 73.31 111.001 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -99.0 6.76 46.54 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.517 1.136 . . . . 75.11 110.358 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.29 178.64 4.57 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.426 1.079 . . . . 74.24 109.297 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -138.58 149.14 44.98 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.503 1.127 . . . . 54.01 109.307 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.671 HD11 ' CD2' ' A' ' 109' ' ' TYR . 2.3 tt -142.7 122.51 9.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.558 1.161 . . . . 71.13 109.27 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.444 ' HB3' HD21 ' A' ' 84' ' ' LEU . 90.1 m-85 -121.19 137.48 54.65 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 70.23 110.99 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.695 ' CG1' HG22 ' A' ' 61' ' ' VAL . 4.1 mm -84.43 147.41 5.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.53 1.144 . . . . 70.04 109.342 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -136.49 124.45 22.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.106 . . . . 63.12 111.012 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.721 ' O ' HG22 ' A' ' 83' ' ' THR . 1.9 t -126.57 104.4 12.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 75.21 109.317 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . 0.513 ' ND2' ' CE1' ' A' ' 98' ' ' HIS . 1.9 m-80 69.77 23.34 5.72 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.501 1.125 . . . . 74.42 109.282 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . 0.49 ' CB ' ' O ' ' A' ' 81' ' ' ASN . 3.5 m-20 81.73 23.57 0.26 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 75.13 109.239 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . 0.721 HG22 ' O ' ' A' ' 80' ' ' VAL . 1.2 t -121.22 152.08 39.25 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.525 1.141 . . . . 74.25 110.432 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.531 HD23 ' O ' ' A' ' 78' ' ' ILE . 2.1 mt -113.74 102.43 54.8 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.564 1.165 . . . . 64.22 109.307 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.08 155.09 42.55 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.475 1.776 . . . . 73.14 110.975 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . 0.732 ' HD2' ' HB2' ' A' ' 89' ' ' ALA . 18.2 Cg_endo -75.01 177.84 8.06 Favored 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.449 1.763 . . . . 70.44 110.97 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 15.8 p -78.43 -34.41 47.89 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.571 1.169 . . . . 62.41 110.347 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -79.58 4.31 16.27 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.448 1.093 . . . . 71.44 109.304 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 1.059 ' HB1' HD11 ' A' ' 94' ' ' ILE . . . -77.89 61.54 2.53 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.571 1.17 . . . . 73.43 109.264 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 1.045 ' CD2' HG22 ' A' ' 56' ' ' THR . 16.7 mt -29.35 125.65 0.12 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 71.21 109.27 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' MET . . . . . 0.476 ' HE2' HG21 ' A' ' 51' ' ' VAL . 47.2 mmm -52.09 -20.11 2.3 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 71.21 110.967 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 25.1 t -73.29 -35.13 66.08 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.576 1.172 . . . . 61.22 109.905 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -89.12 -9.32 51.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 70.44 109.289 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 1.059 HD11 ' HB1' ' A' ' 89' ' ' ALA . 27.3 mm -87.65 -47.45 15.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.553 1.158 . . . . 61.53 109.248 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' TYR . . . . . 0.841 ' CD2' HD23 ' A' ' 105' ' ' LEU . 6.1 t80 -69.03 -6.45 28.06 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.6 1.187 . . . . 52.14 111.085 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -99.03 -13.35 19.91 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.523 1.139 . . . . 73.33 110.357 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -113.76 -11.42 12.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 70.13 110.373 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . 0.513 ' CE1' ' ND2' ' A' ' 81' ' ' ASN . 51.3 m-70 -124.82 16.48 8.66 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.589 1.181 . . . . 62.03 109.621 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.474 ' HB3' ' O ' ' A' ' 95' ' ' TYR . 0.1 OUTLIER -55.21 154.07 6.22 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.567 1.167 . . . . 60.42 109.374 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . 0.441 ' OD1' ' CE2' ' A' ' 106' ' ' TYR . 0.7 OUTLIER -121.81 177.16 5.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 64.51 109.252 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 17.4 mtpt -55.89 -51.42 67.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.563 1.164 . . . . 74.24 109.335 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . 0.547 ' HB3' ' CE1' ' A' ' 11' ' ' PHE . 8.7 p-10 -67.97 -15.38 63.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 52.35 109.327 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . 0.515 ' O ' ' CZ ' ' A' ' 95' ' ' TYR . . . 95.78 -39.34 2.86 Favored Glycine 0 CA--C 1.531 1.09 0 O-C-N 124.517 1.135 . . . . 42.14 110.995 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . 0.706 ' CD2' ' CD ' ' A' ' 14' ' ' ARG . 9.6 m-85 -51.14 155.85 1.22 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.522 0.777 . . . . 73.23 110.974 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.841 HD23 ' CD2' ' A' ' 95' ' ' TYR . 0.2 OUTLIER -99.83 139.91 34.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 74.42 109.335 179.938 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . 0.606 ' CZ ' ' NH2' ' A' ' 14' ' ' ARG . 60.7 m-85 -114.54 90.01 3.24 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.448 1.092 . . . . 64.4 110.987 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . 0.624 HG13 ' HA ' ' A' ' 33' ' ' CYS . 9.9 p -101.13 165.61 2.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 71.32 109.214 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . 0.488 ' CG2' ' O ' ' A' ' 34' ' ' GLU . 0.3 OUTLIER -153.36 128.97 10.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.139 . . . . 74.21 110.316 -179.981 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' TYR . . . . . 0.671 ' CD2' HD11 ' A' ' 76' ' ' ILE . 37.6 p90 -108.54 132.92 53.36 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.51 1.131 . . . . 63.54 110.968 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 1.4 t -130.05 164.16 24.95 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.519 1.137 . . . . 73.5 110.056 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' GLY . . . . . 0.461 ' HA3' ' CG2' ' A' ' 41' ' ' ILE . . . -85.03 3.31 87.45 Favored Glycine 0 CA--C 1.531 1.069 0 O-C-N 124.451 1.094 . . . . 54.34 111.008 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -122.89 152.84 40.39 Favored 'General case' 0 C--N 1.327 -0.403 0 O-C-N 124.492 0.76 . . . . 65.25 110.263 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . 0.505 ' ND2' HD13 ' A' ' 84' ' ' LEU . 9.4 t-20 . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.441 1.088 . . . . 71.13 109.29 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 629' ' ' ILE . . . . . 0.716 ' C ' HG11 ' A' ' 63' ' ' VAL . 0.8 OUTLIER . . . . . 0 N--CA 1.452 -0.34 0 N-CA-C 109.301 -0.629 . . . . 61.41 109.301 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 630' ' ' ALA . . . . . 0.726 ' HA ' HG21 ' A' ' 63' ' ' VAL . . . . . . . . 0 C--N 1.323 -0.576 0 O-C-N 124.569 1.168 . . . . 73.25 109.348 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.474 ' OG1' ' N ' ' A' ' 5' ' ' PHE . 4.6 p . . . . . 0 N--CA 1.454 -0.23 0 N-CA-C 110.372 -0.233 . . . . 74.44 110.372 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . 0.601 ' CZ ' ' OH ' ' A' ' 9' ' ' TYR . 40.1 t80 -56.23 -24.89 45.13 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.525 1.141 . . . . 75.11 111.016 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.551 ' CG ' ' NH2' ' A' ' 14' ' ' ARG . 0.2 OUTLIER -100.63 -24.42 14.44 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.472 1.108 . . . . 72.11 109.258 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 22.7 t -73.05 -3.23 24.97 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.525 1.141 . . . . 63.35 109.983 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . 0.516 ' HB3' ' CD2' ' A' ' 9' ' ' TYR . 1.3 tp10 -86.49 -52.06 5.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 75.05 110.304 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . 0.601 ' OH ' ' CZ ' ' A' ' 5' ' ' PHE . 2.8 p90 -124.88 166.68 18.93 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.546 1.154 . . . . 62.13 110.96 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -177.11 3.24 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.488 1.783 . . . . 44.44 110.983 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.528 ' CE2' ' HB3' ' A' ' 102' ' ' ASP . 20.2 t80 -62.42 -60.91 2.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 73.12 110.991 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -38.84 -31.4 0.06 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.565 1.166 . . . . 72.25 110.254 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.503 ' O ' ' HB3' ' A' ' 16' ' ' ALA . 15.9 mmtt -70.97 -54.6 10.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 72.31 109.319 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.577 ' HD2' ' CE1' ' A' ' 104' ' ' PHE . 4.0 tpp85 -55.42 -60.19 3.75 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.478 1.111 . . . . 72.4 110.247 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.41 ' CG ' ' N ' ' A' ' 16' ' ' ALA . 27.0 pttt -42.13 -46.52 4.36 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.431 1.082 . . . . 63.02 109.388 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.503 ' HB3' ' O ' ' A' ' 13' ' ' LYS . . . -50.94 -45.89 60.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.613 1.196 . . . . 52.13 109.343 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.589 ' HG2' HD12 ' A' ' 21' ' ' ILE . 62.9 tt0 -50.18 -33.74 20.25 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.47 1.106 . . . . 64.25 110.273 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -80.12 -23.93 40.86 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.507 1.129 . . . . 73.4 109.938 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.425 ' N ' ' O ' ' A' ' 16' ' ' ALA . 71.3 mt-10 -68.96 -28.28 66.49 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.522 1.139 . . . . 72.31 110.357 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.402 ' HG3' ' N ' ' A' ' 21' ' ' ILE . 5.2 ptp180 -100.73 -34.27 9.92 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.441 1.088 . . . . 74.03 110.249 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.589 HD12 ' HG2' ' A' ' 17' ' ' GLU . 8.1 mt -65.55 -20.88 28.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.487 1.117 . . . . 70.13 109.247 -179.921 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -83.12 -15.11 52.05 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.494 1.121 . . . . 53.32 109.273 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -105.87 -23.45 12.68 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.518 1.136 . . . . 74.04 109.29 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 11.2 mtm180 -91.85 -54.38 3.88 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.531 1.144 . . . . 72.2 110.273 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.427 ' HB3' ' CG ' ' A' ' 28' ' ' ARG . 3.1 m-85 -131.62 84.94 53.68 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 64.32 111.031 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.95 -27.8 9.81 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.496 1.788 . . . . 74.2 110.962 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 77.2 m-20 -92.06 37.42 0.98 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.451 1.094 . . . . 72.44 109.296 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.427 ' CG ' ' HB3' ' A' ' 25' ' ' PHE . 10.1 mmt-85 -119.14 174.09 6.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.107 . . . . 75.13 110.227 -179.894 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.713 HG23 ' CB ' ' A' ' 95' ' ' TYR . 13.0 mm -137.27 91.51 14.43 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.122 . . . . 73.21 109.252 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.708 ' HA ' HD22 ' A' ' 50' ' ' LEU . 18.1 Cg_endo -75.01 103.85 1.8 Allowed 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.556 1.819 . . . . 64.02 111.003 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.503 ' HA ' ' CB ' ' A' ' 105' ' ' LEU . 2.4 p -119.58 165.36 15.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.587 1.179 . . . . 75.34 109.265 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.56 ' CD1' ' NH2' ' A' ' 14' ' ' ARG . 5.8 mm -127.65 106.21 14.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.45 1.094 . . . . 65.24 109.389 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.573 ' HB3' ' CE1' ' A' ' 49' ' ' TYR . 1.4 t -81.52 124.98 29.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.103 . . . . 43.2 108.25 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.894 ' HB3' HG23 ' A' ' 108' ' ' THR . 73.3 tt0 -122.26 160.69 24.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.578 1.173 . . . . 74.13 110.242 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.566 ' HG2' ' CE2' ' A' ' 109' ' ' TYR . 0.3 OUTLIER -109.17 120.08 41.46 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.459 1.099 . . . . 74.11 109.331 -179.974 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.505 ' HB3' ' HB2' ' A' ' 39' ' ' SER . . . -49.87 169.07 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 61.54 109.268 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.438 ' CG ' ' N ' ' A' ' 38' ' ' LYS . 17.7 pt-20 -94.47 -49.78 5.52 Favored 'General case' 0 C--N 1.326 -0.413 0 O-C-N 124.481 1.113 . . . . 72.1 110.244 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.438 ' N ' ' CG ' ' A' ' 37' ' ' GLU . 48.8 mttm -58.4 -22.39 53.82 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.527 1.142 . . . . 70.13 109.293 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.505 ' HB2' ' HB3' ' A' ' 36' ' ' ALA . 0.8 OUTLIER -57.21 162.73 2.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 61.22 110.015 -179.973 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 24.5 m-20 -123.55 1.11 8.88 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.129 . . . . 65.12 109.217 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.59 HD11 ' CE2' ' A' ' 109' ' ' TYR . 0.1 OUTLIER -74.65 166.41 45.44 Favored Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.407 1.067 . . . . 75.43 109.282 179.978 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . 0.43 ' O ' HG21 ' A' ' 68' ' ' ILE . 18.0 Cg_endo -75.05 123.27 7.74 Favored 'Trans proline' 0 C--N 1.362 1.238 0 O-C-N 124.502 1.79 . . . . 64.4 111.0 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 17.9 tt0 -56.58 161.85 2.52 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.473 1.108 . . . . 74.43 110.319 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.505 ' CD1' ' OH ' ' A' ' 49' ' ' TYR . 15.4 tt -88.36 169.36 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.485 1.116 . . . . 73.53 109.256 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -71.42 -48.65 48.35 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.523 1.139 . . . . 74.13 109.355 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.479 ' CE ' ' HB3' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -150.9 167.76 26.56 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 72.31 109.285 -179.958 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.533 ' O ' HG23 ' A' ' 32' ' ' ILE . 11.9 mtm180 -108.39 94.63 5.17 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.461 1.101 . . . . 73.31 110.303 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.575 ' HB2' ' CD2' ' A' ' 5' ' ' PHE . 35.4 tptt -166.9 106.46 0.61 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.13 . . . . 65.41 109.285 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.688 ' CE2' ' CD1' ' A' ' 64' ' ' ILE . 23.0 m-85 -130.08 103.27 6.65 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.426 1.079 . . . . 72.34 110.973 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.708 HD22 ' HA ' ' A' ' 30' ' ' PRO . 0.6 OUTLIER -92.29 77.14 5.21 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.561 1.163 . . . . 74.33 109.279 -179.986 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.682 HG12 ' HB2' ' B' ' 630' ' ' ALA . 28.8 m -83.61 152.28 63.25 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.551 1.157 . . . . 63.4 109.328 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . 0.476 ' HD3' ' CB ' ' B' ' 630' ' ' ALA . 18.2 Cg_endo -74.97 -179.34 4.88 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.553 1.817 . . . . 72.44 110.984 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -91.46 19.11 6.44 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.522 1.139 . . . . 72.45 109.251 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -117.54 -38.68 3.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.571 1.169 . . . . 72.41 109.305 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.587 HD12 ' N ' ' A' ' 56' ' ' THR . 0.0 OUTLIER -56.14 131.93 49.01 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.437 1.085 . . . . 73.35 109.32 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.587 ' N ' HD12 ' A' ' 55' ' ' LEU . 1.0 OUTLIER -94.11 -174.88 3.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.45 1.094 . . . . 33.54 110.359 -179.921 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 3.1 t -72.79 -62.8 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 60.44 109.355 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -55.0 -23.49 31.69 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.413 1.07 . . . . 73.23 111.041 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . 0.503 ' CB ' ' CD1' ' A' ' 55' ' ' LEU . 9.6 mt-30 -89.12 -25.87 21.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 0.771 . . . . 74.53 110.27 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.595 ' CD1' HG11 ' A' ' 51' ' ' VAL . 40.7 t80 -70.83 -37.47 73.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 73.03 110.942 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.764 HG13 ' CG2' ' A' ' 76' ' ' ILE . 68.8 t -51.49 -46.01 35.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.124 . . . . 73.01 109.321 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.6 ' CD1' ' O ' ' A' ' 62' ' ' TYR . 0.1 OUTLIER -46.71 -27.13 1.08 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.134 . . . . 74.54 111.044 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.851 HG21 ' HA ' ' B' ' 630' ' ' ALA . 60.0 t -78.11 -38.12 23.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 65.32 109.274 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.688 ' CD1' ' CE2' ' A' ' 49' ' ' TYR . 3.9 mm -69.57 -38.91 77.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.45 1.094 . . . . 74.05 109.241 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.47 ' CD ' ' HB3' ' A' ' 70' ' ' LEU . 6.2 tpp85 -72.91 -3.47 25.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.567 1.167 . . . . 63.25 110.386 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 2.3 mttm -94.25 -42.16 9.08 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.115 . . . . 71.45 109.283 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . 0.439 ' NE ' ' HA ' ' A' ' 67' ' ' ARG . 4.9 mmp_? -60.94 -38.59 86.38 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.418 1.074 . . . . 74.15 110.272 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.449 ' O ' ' N ' ' A' ' 70' ' ' LEU . 2.9 pt -104.23 4.06 10.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.387 1.054 . . . . 74.21 109.314 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 3.8 ptt? 37.32 31.4 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.439 1.087 . . . . 64.34 110.951 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.479 HD12 ' HA ' ' A' ' 70' ' ' LEU . 5.5 tp -49.27 140.3 12.89 Favored Pre-proline 0 C--N 1.323 -0.544 0 O-C-N 124.53 1.144 . . . . 62.43 109.209 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.431 ' HD3' ' HA ' ' A' ' 70' ' ' LEU . 18.2 Cg_endo -74.99 170.32 20.68 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.42 1.747 . . . . 75.31 110.952 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 -1.87 11.78 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.519 1.8 . . . . 73.31 110.968 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -89.27 3.31 52.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.589 1.181 . . . . 75.11 110.28 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 6.8 mttm -124.36 179.57 4.86 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.432 1.082 . . . . 74.24 109.306 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -137.9 163.67 30.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 54.01 109.288 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.787 HD11 ' CD2' ' A' ' 109' ' ' TYR . 2.2 tt -155.63 115.56 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.454 1.096 . . . . 71.13 109.308 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.553 ' CE1' ' HB2' ' A' ' 113' ' ' ASN . 71.1 m-85 -112.51 134.79 53.85 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.494 1.121 . . . . 70.23 111.028 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.73 ' O ' HD23 ' A' ' 84' ' ' LEU . 5.1 mm -84.6 129.22 38.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 70.04 109.288 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . 0.433 ' CE1' ' HG ' ' A' ' 84' ' ' LEU . 3.4 m-85 -123.66 119.13 28.94 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.501 1.126 . . . . 63.12 111.061 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.742 ' O ' HG22 ' A' ' 83' ' ' THR . 1.8 t -115.48 101.78 12.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.49 1.119 . . . . 75.21 109.306 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . 0.492 ' O ' ' CB ' ' A' ' 82' ' ' ASP . 2.1 m-80 72.25 23.45 3.29 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.145 . . . . 74.42 109.299 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . 0.492 ' CB ' ' O ' ' A' ' 81' ' ' ASN . 0.3 OUTLIER 82.24 20.37 0.29 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.447 1.092 . . . . 75.13 109.275 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . 0.742 HG22 ' O ' ' A' ' 80' ' ' VAL . 1.2 t -120.52 141.39 50.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 74.25 110.466 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.73 HD23 ' O ' ' A' ' 78' ' ' ILE . 3.6 mt -104.63 106.04 52.93 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.573 1.171 . . . . 64.22 109.314 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 165.94 30.31 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.479 1.779 . . . . 73.14 110.996 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . 0.636 ' HG2' ' HB2' ' A' ' 89' ' ' ALA . 18.1 Cg_endo -75.01 -170.8 0.83 Allowed 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.548 1.815 . . . . 70.44 110.963 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 4.4 p -93.33 -34.58 13.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.535 1.147 . . . . 62.41 110.378 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -83.27 6.77 18.51 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 71.44 109.283 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 1.039 ' HB1' HD11 ' A' ' 94' ' ' ILE . . . -76.33 60.03 1.49 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.465 1.103 . . . . 73.43 109.29 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.594 ' C ' ' O ' ' A' ' 89' ' ' ALA . 0.4 OUTLIER -23.99 123.12 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.455 1.097 . . . . 71.21 109.335 179.957 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' MET . . . . . 0.405 ' HG2' ' O ' ' A' ' 55' ' ' LEU . 47.2 mmm -48.57 -21.64 0.61 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.597 1.186 . . . . 71.21 111.018 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . 0.481 ' HA ' HD12 ' A' ' 29' ' ' ILE . 43.1 t -68.22 -49.33 61.44 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.39 1.057 . . . . 61.22 110.019 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -69.13 -22.26 63.97 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.482 1.114 . . . . 70.44 109.365 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 1.039 HD11 ' HB1' ' A' ' 89' ' ' ALA . 10.8 mm -79.7 -41.12 21.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 O-C-N 124.475 1.109 . . . . 61.53 109.333 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' TYR . . . . . 0.723 ' CD1' HD23 ' A' ' 105' ' ' LEU . 1.2 t80 -75.72 -4.81 42.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.456 1.098 . . . . 52.14 111.007 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . 0.437 ' O ' ' CG ' ' A' ' 96' ' ' GLN . 0.6 OUTLIER -104.15 -9.84 18.39 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.417 1.073 . . . . 73.33 110.24 -179.978 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -121.11 -4.77 9.52 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.595 1.184 . . . . 70.13 110.237 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . 0.673 ' CD2' HG11 ' A' ' 80' ' ' VAL . 11.2 m-70 -125.53 12.4 8.06 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.577 1.173 . . . . 62.03 109.667 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.523 ' HA ' HD22 ' A' ' 105' ' ' LEU . 0.0 OUTLIER -65.6 167.28 9.24 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.454 1.096 . . . . 60.42 109.317 -179.95 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -138.22 177.98 7.47 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 64.51 109.269 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . 0.403 ' C ' ' N ' ' A' ' 103' ' ' GLY . 20.3 mmmt -51.39 -57.67 8.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.626 1.204 . . . . 74.24 109.312 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . 0.528 ' HB3' ' CE2' ' A' ' 11' ' ' PHE . 0.5 OUTLIER -44.77 -27.91 0.57 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 52.35 109.343 -179.993 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . 0.403 ' N ' ' C ' ' A' ' 101' ' ' LYS . . . 94.66 -9.4 71.18 Favored Glycine 0 CA--C 1.531 1.083 0 O-C-N 124.63 1.206 . . . . 42.14 110.975 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . 0.577 ' CE1' ' HD2' ' A' ' 14' ' ' ARG . 1.8 m-85 -90.78 165.66 13.53 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.481 0.753 . . . . 73.23 111.007 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.723 HD23 ' CD1' ' A' ' 95' ' ' TYR . 0.3 OUTLIER -100.2 160.91 13.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.584 1.178 . . . . 74.42 109.274 -179.983 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 62.1 m-85 -145.03 93.55 2.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.54 1.15 . . . . 64.4 110.944 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . 0.604 ' CG2' ' CG2' ' A' ' 78' ' ' ILE . 8.5 p -102.71 173.55 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.561 1.163 . . . . 71.32 109.293 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . 0.894 HG23 ' HB3' ' A' ' 34' ' ' GLU . 0.2 OUTLIER -147.74 151.17 35.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 74.21 110.336 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' TYR . . . . . 0.787 ' CD2' HD11 ' A' ' 76' ' ' ILE . 41.1 p90 -136.22 131.79 35.01 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.409 1.068 . . . . 63.54 110.985 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 41.3 t -132.99 152.44 51.95 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.495 1.122 . . . . 73.5 109.956 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -79.09 4.03 63.64 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.475 1.109 . . . . 54.34 110.95 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -126.06 124.52 40.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.574 0.808 . . . . 65.25 110.298 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . 0.553 ' HB2' ' CE1' ' A' ' 77' ' ' PHE . 60.8 t-20 . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.111 . . . . 71.13 109.337 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 629' ' ' ILE . . . . . 0.652 ' C ' HG11 ' A' ' 63' ' ' VAL . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.299 -0.63 . . . . 61.41 109.299 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 630' ' ' ALA . . . . . 0.851 ' HA ' HG21 ' A' ' 63' ' ' VAL . . . . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 73.25 109.257 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.436 ' OG1' ' CB ' ' A' ' 46' ' ' LYS . 40.7 p . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 110.408 -0.219 . . . . 74.44 110.408 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . 0.604 ' CZ ' ' OH ' ' A' ' 9' ' ' TYR . 32.1 t80 -57.49 -18.49 19.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.635 1.21 . . . . 75.11 111.024 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.448 ' HG3' ' CZ ' ' A' ' 14' ' ' ARG . 0.0 OUTLIER -101.11 -50.62 3.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.563 1.164 . . . . 72.11 109.342 179.923 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 7.0 t -65.09 -10.91 34.28 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.594 1.184 . . . . 63.35 109.943 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . 0.412 ' HB3' ' CD1' ' A' ' 9' ' ' TYR . 3.5 tp10 -64.74 -62.39 1.6 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.644 1.215 . . . . 75.05 110.227 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . 0.604 ' OH ' ' CZ ' ' A' ' 5' ' ' PHE . 1.8 p90 -117.52 167.45 11.02 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.116 . . . . 62.13 111.121 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . 0.407 ' HD2' ' HB2' ' A' ' 9' ' ' TYR . 18.4 Cg_endo -75.0 -176.59 2.96 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.526 1.803 . . . . 44.44 111.014 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.464 ' O ' ' N ' ' A' ' 14' ' ' ARG . 15.7 t80 -62.76 -58.21 8.25 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.54 1.15 . . . . 73.12 110.967 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 -40.4 -30.47 0.11 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.476 1.11 . . . . 72.25 110.224 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.51 ' CB ' ' HB2' ' A' ' 9' ' ' TYR . 0.2 OUTLIER -73.04 -50.43 23.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 72.31 109.348 -179.982 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.65 ' NH2' ' CE1' ' A' ' 106' ' ' TYR . 3.2 mmm180 -56.51 -60.44 3.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.104 . . . . 72.4 110.277 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 26.7 pttt -42.82 -42.32 3.57 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.523 1.139 . . . . 63.02 109.276 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.444 ' HB3' ' O ' ' A' ' 13' ' ' LYS . . . -60.59 -46.63 89.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 52.13 109.259 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.43 ' N ' ' O ' ' A' ' 14' ' ' ARG . 27.7 tp10 -62.05 -37.48 85.13 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.613 1.195 . . . . 64.25 110.275 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.3 p -75.92 -27.95 57.82 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.481 1.113 . . . . 73.4 109.99 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -60.98 -26.82 67.84 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.44 1.087 . . . . 72.31 110.249 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.455 ' O ' ' N ' ' A' ' 24' ' ' ARG . 1.1 mtm180 -98.04 -44.42 6.65 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.538 1.149 . . . . 74.03 110.309 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.433 HD12 ' CZ ' ' A' ' 104' ' ' PHE . 7.3 mt -54.76 -26.7 17.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.519 1.137 . . . . 70.13 109.319 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -83.6 -23.73 31.79 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.566 1.167 . . . . 53.32 109.348 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -97.23 -6.29 34.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.147 . . . . 74.04 109.323 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.455 ' N ' ' O ' ' A' ' 20' ' ' ARG . 38.3 mtm180 -107.83 -51.56 2.89 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.598 1.186 . . . . 72.2 110.271 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.488 ' CD2' HD21 ' A' ' 50' ' ' LEU . 1.1 m-85 -120.71 80.77 32.39 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.552 1.157 . . . . 64.32 110.989 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 -25.85 11.45 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.508 1.794 . . . . 74.2 110.945 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 21.9 m-20 -93.23 27.99 2.34 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.536 1.147 . . . . 72.44 109.366 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.467 ' CG ' ' HB3' ' A' ' 25' ' ' PHE . 1.0 OUTLIER -123.9 -179.97 4.6 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.481 1.113 . . . . 75.13 110.295 179.97 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.481 HG23 ' CB ' ' A' ' 95' ' ' TYR . 24.8 mm -142.09 99.47 6.02 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.471 1.107 . . . . 73.21 109.255 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.569 ' HD2' ' CE2' ' A' ' 95' ' ' TYR . 18.3 Cg_endo -74.97 123.91 8.25 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.541 1.811 . . . . 64.02 111.029 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.52 ' O ' HD13 ' A' ' 32' ' ' ILE . 1.0 OUTLIER -138.85 173.24 12.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.594 1.184 . . . . 75.34 109.286 179.974 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.729 HG22 ' HB3' ' A' ' 47' ' ' ARG . 4.6 mm -138.46 109.92 5.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.595 1.185 . . . . 65.24 109.336 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.543 ' HA ' HG13 ' A' ' 107' ' ' VAL . 0.5 OUTLIER -83.7 148.55 27.02 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.139 . . . . 43.2 108.322 -179.955 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.931 ' HB3' HG23 ' A' ' 108' ' ' THR . 5.1 tm-20 -146.3 171.47 14.93 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.506 1.129 . . . . 74.13 110.287 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.718 ' HZ2' ' HA ' ' A' ' 43' ' ' GLU . 0.0 OUTLIER -116.75 125.84 52.25 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.52 1.137 . . . . 74.11 109.39 -179.976 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.538 ' HB3' ' HB2' ' A' ' 110' ' ' SER . . . -57.77 177.77 0.1 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.537 1.148 . . . . 61.54 109.242 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.445 ' CG ' ' N ' ' A' ' 38' ' ' LYS . 11.6 pt-20 -96.11 -51.23 4.51 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.484 1.115 . . . . 72.1 110.257 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.445 ' N ' ' CG ' ' A' ' 37' ' ' GLU . 0.3 OUTLIER -54.09 -45.04 71.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.445 1.091 . . . . 70.13 109.375 179.971 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 3.9 t -41.24 157.05 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 61.22 109.988 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -117.22 -4.93 11.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.128 . . . . 65.12 109.304 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.465 ' CG2' ' HA3' ' A' ' 111' ' ' GLY . 0.2 OUTLIER -62.97 163.16 17.48 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.596 1.185 . . . . 75.43 109.279 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 129.12 12.04 Favored 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.562 1.822 . . . . 64.4 110.94 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.718 ' HA ' ' HZ2' ' A' ' 35' ' ' LYS . 6.0 tt0 -53.85 163.0 0.79 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.508 1.13 . . . . 74.43 110.283 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.491 ' CD1' ' OH ' ' A' ' 49' ' ' TYR . 12.3 tt -93.22 167.31 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 73.53 109.27 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . 0.443 ' N ' ' CG1' ' A' ' 44' ' ' ILE . 6.7 p-10 -60.75 -55.82 28.62 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.553 1.158 . . . . 74.13 109.217 -179.883 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.436 ' CB ' ' OG1' ' A' ' 4' ' ' THR . 0.1 OUTLIER -155.44 179.61 9.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 72.31 109.275 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.729 ' HB3' HG22 ' A' ' 32' ' ' ILE . 6.2 mtp180 -108.13 94.65 5.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.455 1.097 . . . . 73.31 110.339 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.897 ' HZ2' ' C ' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -166.11 110.04 0.8 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.563 1.164 . . . . 65.41 109.261 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.549 ' CE2' ' CD1' ' A' ' 64' ' ' ILE . 27.3 m-85 -140.35 118.24 11.79 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.427 1.079 . . . . 72.34 111.05 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.488 HD21 ' CD2' ' A' ' 25' ' ' PHE . 1.0 OUTLIER -104.41 77.14 1.36 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.424 1.078 . . . . 74.33 109.34 179.972 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.546 HG12 ' HA ' ' B' ' 630' ' ' ALA . 27.8 m -77.7 148.76 76.81 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.147 . . . . 63.4 109.356 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -178.32 4.07 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.397 1.735 . . . . 72.44 111.06 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -93.36 18.2 10.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 72.45 109.194 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -118.96 -38.48 3.06 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.567 1.167 . . . . 72.41 109.302 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 1.002 HD23 ' HB1' ' B' ' 630' ' ' ALA . 0.0 OUTLIER -58.16 131.96 52.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 73.35 109.338 179.958 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.536 ' N ' HD12 ' A' ' 55' ' ' LEU . 1.2 p -92.95 -170.35 2.41 Favored 'General case' 0 C--N 1.323 -0.576 0 O-C-N 124.545 1.153 . . . . 33.54 110.45 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 2.7 t -76.84 -62.49 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.134 . . . . 60.44 109.268 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -57.19 -24.12 49.99 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.471 1.107 . . . . 73.23 110.925 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . 0.533 ' CB ' ' CD1' ' A' ' 55' ' ' LEU . 29.1 mt-30 -83.58 -27.39 29.27 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.546 0.792 . . . . 74.53 110.266 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.896 ' CE1' HD11 ' A' ' 64' ' ' ILE . 1.4 t80 -69.81 -46.32 65.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.454 1.096 . . . . 73.03 110.997 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.809 HG13 ' CG2' ' A' ' 76' ' ' ILE . 52.1 t -39.96 -48.41 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.529 1.143 . . . . 73.01 109.377 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.596 ' C ' ' CD1' ' A' ' 62' ' ' TYR . 0.0 OUTLIER -44.13 -45.41 8.2 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.449 1.093 . . . . 74.54 110.967 179.948 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.883 HG21 ' C ' ' B' ' 630' ' ' ALA . 86.4 t -63.65 -37.82 80.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.41 1.069 . . . . 65.32 109.266 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.896 HD11 ' CE1' ' A' ' 60' ' ' PHE . 19.0 mm -70.59 -30.42 42.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 74.05 109.359 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.446 ' CD ' ' HB3' ' A' ' 70' ' ' LEU . 4.1 tpp85 -79.33 -3.17 44.92 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 63.25 110.257 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 7.9 mtmt -96.16 -41.73 8.56 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 71.45 109.313 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -59.61 -39.61 84.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.591 1.182 . . . . 74.15 110.252 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 2.2 pt -104.81 5.22 10.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 74.21 109.296 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 2.6 ptt? 37.55 38.36 0.14 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.547 1.154 . . . . 64.34 110.969 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.481 HD12 ' HA ' ' A' ' 70' ' ' LEU . 6.2 tp -50.63 139.98 19.95 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.472 1.107 . . . . 62.43 109.294 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 70' ' ' LEU . 18.2 Cg_endo -75.02 165.99 30.13 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.548 1.815 . . . . 75.31 110.922 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 0.78 8.51 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.491 1.785 . . . . 73.31 110.944 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -98.1 -1.78 41.57 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.581 1.176 . . . . 75.11 110.264 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -112.23 178.91 4.15 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 74.24 109.26 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -138.03 152.51 48.92 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.612 1.195 . . . . 54.01 109.276 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.901 HD11 ' CD1' ' A' ' 109' ' ' TYR . 1.2 tt -145.78 117.18 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.437 1.086 . . . . 71.13 109.407 179.899 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 80.2 m-85 -114.21 137.68 51.46 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.55 1.156 . . . . 70.23 111.03 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.591 ' CG2' ' CG2' ' A' ' 107' ' ' VAL . 3.9 mm -85.92 158.19 3.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 O-C-N 124.482 1.113 . . . . 70.04 109.286 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . 0.441 ' CZ ' ' CD1' ' A' ' 84' ' ' LEU . 8.6 m-85 -150.58 133.51 15.99 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.453 1.095 . . . . 63.12 111.0 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.708 ' O ' HG22 ' A' ' 83' ' ' THR . 2.4 t -136.31 108.64 7.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.459 1.099 . . . . 75.21 109.298 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . 0.443 ' O ' ' CB ' ' A' ' 82' ' ' ASP . 3.5 m-80 72.35 22.31 3.52 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.499 1.124 . . . . 74.42 109.248 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . 0.443 ' CB ' ' O ' ' A' ' 81' ' ' ASN . 2.1 m-20 79.05 20.88 0.7 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 75.13 109.266 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . 0.708 HG22 ' O ' ' A' ' 80' ' ' VAL . 1.1 t -126.43 142.03 51.68 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.5 1.125 . . . . 74.25 110.447 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.441 ' CD1' ' CZ ' ' A' ' 79' ' ' PHE . 0.2 OUTLIER -98.6 109.64 53.81 Favored Pre-proline 0 C--N 1.324 -0.541 0 O-C-N 124.541 1.151 . . . . 64.22 109.286 -179.94 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.06 167.04 27.86 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.445 1.761 . . . . 73.14 110.987 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . 0.825 ' HG2' ' HB2' ' A' ' 89' ' ' ALA . 18.6 Cg_endo -74.94 -171.7 1.05 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.481 1.78 . . . . 70.44 111.039 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 4.2 p -94.27 -35.39 12.46 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.551 1.157 . . . . 62.41 110.419 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -84.61 8.22 17.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.421 1.076 . . . . 71.44 109.324 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 1.054 ' HB1' HD11 ' A' ' 94' ' ' ILE . . . -76.13 60.92 1.51 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.545 1.153 . . . . 73.43 109.329 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.608 ' C ' ' O ' ' A' ' 89' ' ' ALA . 0.4 OUTLIER -23.51 121.79 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.106 . . . . 71.21 109.228 -179.917 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' MET . . . . . 0.402 ' HG2' ' O ' ' A' ' 55' ' ' LEU . 47.3 mmm -50.81 -20.49 1.3 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.418 1.074 . . . . 71.21 110.987 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 2.1 t -70.09 -47.17 62.97 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 61.22 110.008 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -74.88 -13.68 60.58 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 70.44 109.289 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 1.054 HD11 ' HB1' ' A' ' 89' ' ' ALA . 22.0 mm -82.55 -44.74 19.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.554 1.159 . . . . 61.53 109.208 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' TYR . . . . . 0.83 ' CD2' HD23 ' A' ' 105' ' ' LEU . 4.5 t80 -72.98 -5.64 40.06 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.457 1.098 . . . . 52.14 110.931 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . 0.438 ' O ' ' CG ' ' A' ' 96' ' ' GLN . 3.0 tp-100 -100.21 -10.37 21.46 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.481 1.113 . . . . 73.33 110.27 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -118.55 -10.92 9.99 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.454 1.097 . . . . 70.13 110.331 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . 0.571 ' HB2' HD11 ' A' ' 105' ' ' LEU . 31.5 m-70 -123.1 16.34 9.94 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.485 1.116 . . . . 62.03 109.601 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.471 ' HB3' ' O ' ' A' ' 95' ' ' TYR . 0.0 OUTLIER -59.99 157.74 12.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.12 . . . . 60.42 109.346 179.974 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -128.87 170.88 12.85 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.55 1.156 . . . . 64.51 109.339 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . 0.425 ' HB2' ' CE2' ' A' ' 11' ' ' PHE . 30.0 mtmm -57.31 -29.42 63.91 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.118 . . . . 74.24 109.311 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -82.71 -20.47 36.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 52.35 109.242 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . 0.404 ' O ' ' CE2' ' A' ' 95' ' ' TYR . . . 91.63 -39.32 3.06 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.568 1.167 . . . . 42.14 111.023 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . 0.601 ' CD1' HD11 ' A' ' 32' ' ' ILE . 10.5 m-85 -61.64 120.14 10.03 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.472 0.748 . . . . 73.23 110.992 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.83 HD23 ' CD2' ' A' ' 95' ' ' TYR . 0.3 OUTLIER -63.32 159.66 17.56 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.532 1.145 . . . . 74.42 109.339 -179.963 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . 0.65 ' CE1' ' NH2' ' A' ' 14' ' ' ARG . 50.4 m-85 -133.17 101.66 5.28 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.506 1.129 . . . . 64.4 111.049 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . 0.591 ' CG2' ' CG2' ' A' ' 78' ' ' ILE . 14.7 p -115.07 168.53 6.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.461 1.1 . . . . 71.32 109.364 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . 0.931 HG23 ' HB3' ' A' ' 34' ' ' GLU . 0.7 OUTLIER -149.8 145.79 26.8 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.511 1.132 . . . . 74.21 110.409 179.922 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' TYR . . . . . 0.901 ' CD1' HD11 ' A' ' 76' ' ' ILE . 30.2 p90 -129.3 126.05 38.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.567 1.167 . . . . 63.54 111.006 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . 0.538 ' HB2' ' HB3' ' A' ' 36' ' ' ALA . 1.4 t -119.33 158.83 25.32 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.484 1.115 . . . . 73.5 109.989 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' GLY . . . . . 0.465 ' HA3' ' CG2' ' A' ' 41' ' ' ILE . . . -68.1 -24.19 74.61 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.515 1.134 . . . . 54.34 110.94 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -115.07 178.8 4.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 0.783 . . . . 65.25 110.275 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 49.0 t-20 . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.103 . . . . 71.13 109.297 179.995 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 629' ' ' ILE . . . . . 0.477 HD13 ' H ' ' A' ' 50' ' ' LEU . 1.2 pp . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.269 -0.641 . . . . 61.41 109.269 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 630' ' ' ALA . . . . . 1.002 ' HB1' HD23 ' A' ' 55' ' ' LEU . . . . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 73.25 109.294 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.5 ' OG1' ' N ' ' A' ' 5' ' ' PHE . 31.4 p . . . . . 0 N--CA 1.454 -0.26 0 N-CA-C 110.384 -0.228 . . . . 74.44 110.384 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . 0.654 ' CE2' ' CB ' ' A' ' 48' ' ' LYS . 12.4 m-85 -50.94 -45.81 60.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 75.11 111.034 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.417 ' HB2' ' NE ' ' A' ' 47' ' ' ARG . 8.6 tttt -69.17 -31.57 70.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.109 . . . . 72.11 109.248 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 40.4 t -81.82 -4.96 57.73 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.534 1.146 . . . . 63.35 110.031 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -86.9 -52.59 5.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 75.05 110.329 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . 0.485 ' HB2' ' CB ' ' A' ' 13' ' ' LYS . 4.5 p90 -126.2 165.12 29.57 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 62.13 111.015 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 -176.92 3.12 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.531 1.806 . . . . 44.44 111.027 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.54 ' CE1' ' HB3' ' A' ' 102' ' ' ASP . 35.9 t80 -63.76 -57.17 10.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.409 1.068 . . . . 73.12 111.051 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 17.0 mt-10 -42.51 -28.13 0.2 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.534 1.146 . . . . 72.25 110.297 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.485 ' CB ' ' HB2' ' A' ' 9' ' ' TYR . 8.9 mmtt -73.2 -49.09 29.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.616 1.197 . . . . 72.31 109.244 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.566 ' HG3' ' CD2' ' A' ' 104' ' ' PHE . 16.7 tpp180 -57.11 -42.19 80.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.437 1.085 . . . . 72.4 110.345 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.409 ' HG2' ' N ' ' A' ' 16' ' ' ALA . 0.1 OUTLIER -71.33 -43.47 66.94 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 63.02 109.32 179.971 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.409 ' N ' ' HG2' ' A' ' 15' ' ' LYS . . . -60.41 -31.78 70.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 52.13 109.327 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.48 ' HG3' HD12 ' A' ' 21' ' ' ILE . 18.0 tp10 -70.41 -44.3 68.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.431 1.082 . . . . 64.25 110.327 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.443 ' HB3' ' CD2' ' A' ' 104' ' ' PHE . 89.5 p -70.47 -19.5 62.94 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 73.4 110.094 179.91 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -66.3 -23.41 66.37 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.56 1.163 . . . . 72.31 110.312 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 28.8 mtm180 -101.76 -39.11 7.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.588 1.18 . . . . 74.03 110.267 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.48 HD12 ' HG3' ' A' ' 17' ' ' GLU . 7.2 mt -60.25 -20.56 20.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.64 1.213 . . . . 70.13 109.341 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -80.47 -21.65 41.84 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 53.32 109.284 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -103.49 -12.9 16.84 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 74.04 109.372 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 27.5 mmm-85 -97.08 -48.96 5.18 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.104 . . . . 72.2 110.268 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.471 ' HB3' ' CG ' ' A' ' 28' ' ' ARG . 1.3 m-85 -132.84 89.5 34.62 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.429 1.081 . . . . 64.32 110.951 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.98 -34.21 4.02 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.488 1.783 . . . . 74.2 111.009 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 12.2 p30 -90.9 40.2 1.01 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.469 1.106 . . . . 72.44 109.305 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.595 ' HB3' HD11 ' A' ' 50' ' ' LEU . 1.6 mmt-85 -126.14 171.37 10.92 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.464 1.103 . . . . 75.13 110.271 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.486 ' CD1' ' HA ' ' A' ' 92' ' ' SER . 17.4 mm -135.99 98.03 11.99 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 73.21 109.285 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.998 ' HA ' HD22 ' A' ' 50' ' ' LEU . 18.2 Cg_endo -75.0 117.21 4.83 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.488 1.783 . . . . 64.02 110.986 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.785 HG22 ' O ' ' A' ' 49' ' ' TYR . 5.7 m -135.61 156.54 38.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 75.34 109.296 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.732 HG23 ' O ' ' A' ' 47' ' ' ARG . 18.4 mm -124.73 104.91 14.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.558 1.161 . . . . 65.24 109.292 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.519 ' HB3' ' CE1' ' A' ' 49' ' ' TYR . 2.1 t -84.82 144.32 28.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.419 1.074 . . . . 43.2 108.311 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.515 ' O ' HG22 ' A' ' 108' ' ' THR . 32.2 tt0 -148.6 156.75 42.83 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.452 1.095 . . . . 74.13 110.342 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.503 ' HG2' ' CE2' ' A' ' 109' ' ' TYR . 0.0 OUTLIER -92.66 127.39 38.14 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.456 1.098 . . . . 74.11 109.331 -179.978 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -59.06 177.99 0.14 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.115 . . . . 61.54 109.343 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.443 ' CG ' ' N ' ' A' ' 38' ' ' LYS . 12.1 pt-20 -96.5 -50.8 4.59 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.486 1.116 . . . . 72.1 110.348 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.443 ' N ' ' CG ' ' A' ' 37' ' ' GLU . 30.8 mttm -55.05 -43.88 74.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.576 1.172 . . . . 70.13 109.371 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.4 t -39.84 158.0 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.457 1.098 . . . . 61.22 110.025 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -114.76 -1.48 13.23 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.462 1.102 . . . . 65.12 109.366 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.599 HD11 ' CE2' ' A' ' 109' ' ' TYR . 0.1 OUTLIER -74.55 165.71 51.34 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.408 1.067 . . . . 75.43 109.288 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.1 130.25 13.0 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.424 1.75 . . . . 64.4 110.985 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.404 ' HG2' ' N ' ' A' ' 44' ' ' ILE . 5.5 tt0 -67.73 144.35 55.47 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.554 1.159 . . . . 74.43 110.29 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.513 ' CD1' ' OH ' ' A' ' 49' ' ' TYR . 13.9 tt -65.82 171.55 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.492 1.12 . . . . 73.53 109.22 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . 0.477 ' O ' HG21 ' A' ' 4' ' ' THR . 3.6 t0 -75.67 -40.15 56.42 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.464 1.102 . . . . 74.13 109.326 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.575 ' HB2' ' CD2' ' A' ' 5' ' ' PHE . 0.0 OUTLIER -153.75 160.75 42.39 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 72.31 109.259 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.732 ' O ' HG23 ' A' ' 32' ' ' ILE . 0.8 OUTLIER -101.14 96.96 7.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 73.31 110.334 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.654 ' CB ' ' CE2' ' A' ' 5' ' ' PHE . 3.8 tptt -165.39 127.34 2.05 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.548 1.155 . . . . 65.41 109.309 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.785 ' O ' HG22 ' A' ' 31' ' ' VAL . 31.2 m-85 -155.99 105.8 2.38 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.517 1.135 . . . . 72.34 110.966 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.998 HD22 ' HA ' ' A' ' 30' ' ' PRO . 0.4 OUTLIER -94.58 77.05 3.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 74.33 109.333 179.958 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.749 HG11 ' CD1' ' A' ' 60' ' ' PHE . 9.9 m -75.97 147.04 80.02 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.506 1.128 . . . . 63.4 109.301 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.94 -177.07 3.2 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.49 1.784 . . . . 72.44 111.012 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -92.64 18.39 8.79 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.546 1.154 . . . . 72.45 109.291 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -120.77 -39.11 2.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.41 1.069 . . . . 72.41 109.339 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.872 HD23 ' HB1' ' B' ' 630' ' ' ALA . 0.0 OUTLIER -58.67 131.68 51.58 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.453 1.096 . . . . 73.35 109.393 179.959 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.532 ' N ' HD12 ' A' ' 55' ' ' LEU . 0.1 OUTLIER -96.05 -168.69 1.79 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.525 1.141 . . . . 33.54 110.456 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 3.1 t -77.76 -62.39 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.492 1.12 . . . . 60.44 109.294 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -53.81 -18.87 9.01 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.468 1.105 . . . . 73.23 110.953 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . 0.55 ' HB2' ' CD1' ' A' ' 55' ' ' LEU . 68.1 mt-30 -95.6 -27.24 15.43 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.511 0.771 . . . . 74.53 110.351 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.749 ' CD1' HG11 ' A' ' 51' ' ' VAL . 70.2 t80 -69.64 -36.56 76.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 73.03 111.031 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.771 HG13 ' CG2' ' A' ' 76' ' ' ILE . 59.1 t -54.09 -47.48 66.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.55 1.156 . . . . 73.01 109.31 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.557 ' CD1' ' O ' ' A' ' 62' ' ' TYR . 0.1 OUTLIER -43.22 -28.99 0.35 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.62 1.2 . . . . 74.54 110.974 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.926 HG21 ' C ' ' B' ' 630' ' ' ALA . 79.1 t -80.71 -44.61 21.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.431 1.082 . . . . 65.32 109.238 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.693 ' CD1' ' CE2' ' A' ' 49' ' ' TYR . 9.3 mm -62.0 -30.88 49.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 74.05 109.294 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 6.7 tpp85 -82.43 -6.09 59.07 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.395 1.059 . . . . 63.25 110.345 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 8.2 mtmt -86.53 -44.65 11.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.143 . . . . 71.45 109.302 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . 0.505 ' HG3' HD11 ' A' ' 44' ' ' ILE . 4.4 mmp_? -57.68 -64.66 0.82 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.103 . . . . 74.15 110.3 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.616 HD11 HD12 ' A' ' 76' ' ' ILE . 5.9 pt -72.75 -5.56 6.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.538 1.149 . . . . 74.21 109.345 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . 0.501 ' CG ' ' O ' ' A' ' 68' ' ' ILE . 3.8 ptp 42.59 44.34 3.59 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.126 . . . . 64.34 111.04 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.492 HD22 HD12 ' A' ' 68' ' ' ILE . 5.1 tp -65.79 140.57 97.35 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.492 1.12 . . . . 62.43 109.252 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 171.55 18.1 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.425 1.75 . . . . 75.31 110.979 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_endo -74.9 -1.49 11.27 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.555 1.818 . . . . 73.31 111.064 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -86.81 1.95 50.59 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.143 . . . . 75.11 110.335 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 20.5 mttp -125.51 -179.23 4.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 74.24 109.311 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -139.61 151.21 45.82 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.516 1.135 . . . . 54.01 109.308 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.771 ' CG2' HG13 ' A' ' 61' ' ' VAL . 2.1 tt -141.28 119.93 10.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 71.13 109.25 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.629 ' HB3' HD11 ' A' ' 84' ' ' LEU . 80.9 m-85 -115.62 135.22 54.28 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 70.23 111.004 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.552 ' CG2' ' CG2' ' A' ' 107' ' ' VAL . 3.0 mm -84.5 137.46 20.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.472 1.108 . . . . 70.04 109.324 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -128.43 121.28 28.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 63.12 110.964 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.575 ' O ' HG22 ' A' ' 83' ' ' THR . 2.8 t -122.86 109.24 23.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.582 1.176 . . . . 75.21 109.302 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . 0.553 ' ND2' ' CE1' ' A' ' 98' ' ' HIS . 2.1 m-80 71.31 19.82 5.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 74.42 109.226 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . 0.503 ' CB ' ' O ' ' A' ' 81' ' ' ASN . 0.9 OUTLIER 81.93 24.53 0.22 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 75.13 109.248 179.979 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . 0.575 HG22 ' O ' ' A' ' 80' ' ' VAL . 0.7 OUTLIER -133.43 135.36 44.54 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.472 1.108 . . . . 74.25 110.393 -179.97 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.629 HD11 ' HB3' ' A' ' 77' ' ' PHE . 0.2 OUTLIER -91.62 112.27 53.54 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.135 . . . . 64.22 109.257 179.963 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.09 167.13 27.64 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.45 1.763 . . . . 73.14 110.93 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . 0.834 ' HG2' ' HB2' ' A' ' 89' ' ' ALA . 18.7 Cg_endo -74.84 -168.54 0.52 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.406 1.74 . . . . 70.44 111.085 179.895 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 3.7 p -97.02 -35.19 10.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.451 1.094 . . . . 62.41 110.447 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -85.11 8.71 17.09 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.549 1.156 . . . . 71.44 109.281 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 1.066 ' HB1' HD11 ' A' ' 94' ' ' ILE . . . -76.84 61.23 1.87 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.408 1.068 . . . . 73.43 109.272 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.591 ' C ' ' O ' ' A' ' 89' ' ' ALA . 0.3 OUTLIER -24.66 122.41 0.05 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 71.21 109.331 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' MET . . . . . 0.437 ' CG ' ' O ' ' A' ' 55' ' ' LEU . 44.3 mmm -52.93 -19.32 2.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.441 1.088 . . . . 71.21 110.968 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . 0.486 ' HA ' ' CD1' ' A' ' 29' ' ' ILE . 10.8 t -69.73 -46.69 65.36 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.483 1.115 . . . . 61.22 110.024 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -73.25 -31.9 64.39 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.554 1.159 . . . . 70.44 109.267 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 1.066 HD11 ' HB1' ' A' ' 89' ' ' ALA . 16.6 mm -61.81 -45.32 98.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 61.53 109.38 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' TYR . . . . . 0.632 ' CD1' ' O ' ' A' ' 95' ' ' TYR . 10.5 t80 -69.19 -6.15 27.11 Favored 'General case' 0 C--N 1.326 -0.413 0 O-C-N 124.429 1.08 . . . . 52.14 110.99 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . 0.466 ' O ' ' CG ' ' A' ' 96' ' ' GLN . 2.7 tp-100 -102.56 -8.97 20.57 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.13 . . . . 73.33 110.272 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -119.42 -7.82 10.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 70.13 110.285 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . 0.553 ' CE1' ' ND2' ' A' ' 81' ' ' ASN . 48.6 m-70 -133.04 17.99 4.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 62.03 109.607 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.484 ' HB3' ' O ' ' A' ' 95' ' ' TYR . 0.0 OUTLIER -51.12 171.87 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.453 1.095 . . . . 60.42 109.249 -179.973 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -134.73 166.32 23.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.564 1.165 . . . . 64.51 109.385 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 28.2 mtmt -59.23 -45.6 90.71 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.463 1.102 . . . . 74.24 109.294 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . 0.54 ' HB3' ' CE1' ' A' ' 11' ' ' PHE . 0.5 OUTLIER -72.24 -6.57 43.87 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 52.35 109.293 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 88.02 -39.58 3.11 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.529 1.143 . . . . 42.14 110.984 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . 0.566 ' CD2' ' HG3' ' A' ' 14' ' ' ARG . 3.7 m-85 -62.76 134.44 56.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.44 0.73 . . . . 73.23 111.023 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.511 HD13 ' CD2' ' A' ' 95' ' ' TYR . 2.7 tp -79.69 165.4 22.88 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.446 1.091 . . . . 74.42 109.281 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 88.4 m-85 -142.19 91.88 2.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 64.4 111.05 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . 0.552 ' CG2' ' CG2' ' A' ' 78' ' ' ILE . 1.4 p -102.43 164.73 3.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.64 1.212 . . . . 71.32 109.164 -179.907 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . 0.515 HG22 ' O ' ' A' ' 34' ' ' GLU . 0.2 OUTLIER -144.53 160.48 41.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.446 1.091 . . . . 74.21 110.359 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' TYR . . . . . 0.743 ' CD2' HD11 ' A' ' 76' ' ' ILE . 41.5 p90 -138.85 135.98 35.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.54 1.15 . . . . 63.54 111.041 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 52.7 p -127.46 160.29 31.92 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.468 1.105 . . . . 73.5 110.05 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' GLY . . . . . 0.472 ' HA3' ' CG2' ' A' ' 41' ' ' ILE . . . -80.89 -3.14 90.58 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.463 1.102 . . . . 54.34 110.998 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 10.9 pm0 -125.95 159.65 32.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 0.77 . . . . 65.25 110.356 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . 0.583 HD21 HD22 ' A' ' 84' ' ' LEU . 25.0 t-20 . . . . . 0 C--N 1.326 -0.438 0 O-C-N 124.56 1.162 . . . . 71.13 109.271 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 629' ' ' ILE . . . . . . . . . . . . . 1.2 pp . . . . . 0 N--CA 1.453 -0.275 0 N-CA-C 109.317 -0.623 . . . . 61.41 109.317 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 630' ' ' ALA . . . . . 0.926 ' C ' HG21 ' A' ' 63' ' ' VAL . . . . . . . . 0 C--N 1.324 -0.511 0 O-C-N 124.543 1.152 . . . . 73.25 109.288 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.662 ' CG2' HH21 ' A' ' 47' ' ' ARG . 81.3 p . . . . . 0 N--CA 1.454 -0.255 0 N-CA-C 110.398 -0.223 . . . . 74.44 110.398 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . 0.609 ' CZ ' ' OH ' ' A' ' 9' ' ' TYR . 88.2 t80 -57.99 -30.32 65.96 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.546 1.153 . . . . 75.11 110.972 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 17.5 ttpp -91.64 -28.16 17.66 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.563 1.164 . . . . 72.11 109.278 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 19.9 t -80.5 2.97 23.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.613 1.195 . . . . 63.35 109.956 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . 0.509 ' HB3' ' CD1' ' A' ' 9' ' ' TYR . 12.8 tp10 -85.6 -32.88 21.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 75.05 110.319 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . 0.609 ' OH ' ' CZ ' ' A' ' 5' ' ' PHE . 2.0 p90 -148.2 166.37 15.88 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.487 1.117 . . . . 62.13 111.035 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.9 168.38 24.97 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.502 1.791 . . . . 44.44 111.042 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.545 ' CE2' ' HB3' ' A' ' 102' ' ' ASP . 1.4 t80 -61.97 -28.81 69.81 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.558 1.161 . . . . 73.12 110.998 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 13.5 mt-10 -66.96 -8.71 31.7 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.648 1.217 . . . . 72.25 110.283 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.8 tppp? -100.06 -48.73 4.54 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.522 1.138 . . . . 72.31 109.301 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.8 HH21 ' HB3' ' A' ' 104' ' ' PHE . 4.2 ptm85 -64.52 -42.98 95.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 72.4 110.278 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.491 ' HD3' ' CE1' ' A' ' 11' ' ' PHE . 2.2 pttt -56.37 -40.03 73.9 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.531 1.145 . . . . 63.02 109.331 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -77.77 -19.65 54.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 52.13 109.284 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 13.7 tp10 -74.73 -58.23 3.42 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.114 . . . . 64.25 110.288 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -57.46 -17.11 11.63 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.494 1.121 . . . . 73.4 109.959 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -68.57 -45.13 72.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 72.31 110.315 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.425 ' HG3' ' N ' ' A' ' 21' ' ' ILE . 0.5 OUTLIER -75.68 -24.61 56.32 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.526 1.141 . . . . 74.03 110.272 -179.938 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.425 ' N ' ' HG3' ' A' ' 20' ' ' ARG . 5.9 mt -66.76 -23.08 30.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.546 1.154 . . . . 70.13 109.288 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -68.51 -17.2 64.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.108 . . . . 53.32 109.287 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -102.15 -41.08 6.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.45 1.094 . . . . 74.04 109.295 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.598 ' O ' ' CD1' ' A' ' 25' ' ' PHE . 14.1 mmm-85 -66.4 -33.04 74.83 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.531 1.145 . . . . 72.2 110.309 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.598 ' CD1' ' O ' ' A' ' 24' ' ' ARG . 34.3 m-85 -159.75 86.56 2.06 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.459 1.099 . . . . 64.32 110.976 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -14.36 21.15 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.483 1.781 . . . . 74.2 110.933 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 20.6 m-20 -107.76 48.49 0.85 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 72.44 109.317 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.522 ' O ' HD13 ' A' ' 29' ' ' ILE . 8.5 mmt85 -134.31 -179.66 5.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 75.13 110.294 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.522 HD13 ' O ' ' A' ' 28' ' ' ARG . 37.3 mm -143.2 97.31 5.7 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.13 . . . . 73.21 109.368 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.575 ' HD2' ' CE2' ' A' ' 95' ' ' TYR . 18.2 Cg_endo -74.96 123.9 8.25 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.518 1.799 . . . . 64.02 111.024 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.461 HG13 HG22 ' A' ' 51' ' ' VAL . 0.9 OUTLIER -134.0 173.4 14.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.504 1.128 . . . . 75.34 109.323 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.448 ' N ' ' O ' ' A' ' 105' ' ' LEU . 7.4 mm -135.04 98.45 2.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.135 . . . . 65.24 109.29 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.683 ' HA ' HG13 ' A' ' 107' ' ' VAL . 14.3 t -68.22 116.03 8.36 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.552 1.158 . . . . 43.2 108.291 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.896 ' HB3' HG23 ' A' ' 108' ' ' THR . 16.5 tp10 -114.3 158.09 21.9 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.562 1.164 . . . . 74.13 110.324 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.569 ' HG2' ' CE2' ' A' ' 109' ' ' TYR . 0.2 OUTLIER -118.69 116.69 27.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 74.11 109.378 179.941 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -55.88 172.71 0.17 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.528 1.142 . . . . 61.54 109.282 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.427 ' CG ' ' N ' ' A' ' 38' ' ' LYS . 11.6 pt-20 -96.16 -49.28 5.3 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.477 1.111 . . . . 72.1 110.328 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.427 ' N ' ' CG ' ' A' ' 37' ' ' GLU . 35.7 mttm -51.26 -31.33 20.61 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.465 1.103 . . . . 70.13 109.309 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -56.58 153.13 10.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 61.22 109.989 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 9.3 t0 -115.77 13.95 16.24 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.456 1.097 . . . . 65.12 109.256 -179.876 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.613 HD11 ' CE2' ' A' ' 109' ' ' TYR . 0.1 OUTLIER -85.45 165.78 33.98 Favored Pre-proline 0 C--N 1.326 -0.434 0 O-C-N 124.547 1.155 . . . . 75.43 109.281 -179.95 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . 0.523 ' O ' HG21 ' A' ' 68' ' ' ILE . 18.4 Cg_endo -75.12 122.48 7.18 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.472 1.775 . . . . 64.4 110.985 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -62.55 142.75 57.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.44 1.087 . . . . 74.43 110.304 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.503 ' CD1' ' OH ' ' A' ' 49' ' ' TYR . 17.8 tt -68.67 170.16 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 73.53 109.289 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -70.85 -46.24 63.04 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.535 1.147 . . . . 74.13 109.404 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -151.18 160.02 44.09 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.507 1.129 . . . . 72.31 109.241 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.662 HH21 ' CG2' ' A' ' 4' ' ' THR . 0.0 OUTLIER -103.7 93.6 5.0 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 73.31 110.333 179.968 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.595 ' HG2' ' CE2' ' A' ' 5' ' ' PHE . 0.0 OUTLIER -167.03 112.28 0.75 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.554 1.159 . . . . 65.41 109.215 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.57 ' CD1' ' HB2' ' A' ' 33' ' ' CYS . 27.7 m-85 -136.91 119.66 16.19 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.516 1.135 . . . . 72.34 110.997 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.474 HD13 ' HA ' ' A' ' 50' ' ' LEU . 0.0 OUTLIER -98.68 76.72 2.22 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.53 1.144 . . . . 74.33 109.299 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.568 HG11 ' CD1' ' A' ' 60' ' ' PHE . 13.1 m -80.42 147.59 64.39 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.12 . . . . 63.4 109.239 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 51' ' ' VAL . 18.1 Cg_endo -75.13 -178.56 4.28 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.53 1.805 . . . . 72.44 110.962 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -93.16 18.42 9.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.115 . . . . 72.45 109.272 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 32.4 m-20 -119.47 -38.38 3.02 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.451 1.094 . . . . 72.41 109.291 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.8 HD13 ' HB1' ' B' ' 630' ' ' ALA . 0.5 OUTLIER -56.32 131.19 47.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.106 . . . . 73.35 109.318 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 1.011 HG22 ' CD2' ' A' ' 90' ' ' LEU . 5.6 p -92.37 175.22 6.92 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.486 1.116 . . . . 33.54 110.45 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.484 ' CG1' ' O ' ' A' ' 86' ' ' PRO . 3.2 t -66.09 -35.75 75.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.55 1.156 . . . . 60.44 109.357 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -77.74 -6.41 86.98 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.564 1.165 . . . . 73.23 110.979 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . 0.617 ' OE1' HG23 ' A' ' 56' ' ' THR . 53.7 mt-30 -99.63 -22.19 15.53 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.541 0.789 . . . . 74.53 110.342 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.735 ' CZ ' HD11 ' A' ' 64' ' ' ILE . 40.0 t80 -78.24 -54.39 6.28 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 73.03 111.044 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.726 HG22 ' CG1' ' A' ' 78' ' ' ILE . 63.9 t -40.25 -34.63 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.508 1.13 . . . . 73.01 109.277 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.573 ' CD1' ' HD3' ' A' ' 66' ' ' LYS . 0.5 OUTLIER -58.07 -57.29 13.47 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.449 1.093 . . . . 74.54 111.062 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.926 HG21 ' C ' ' B' ' 630' ' ' ALA . 74.3 t -56.64 -40.86 72.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 65.32 109.33 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.735 HD11 ' CZ ' ' A' ' 60' ' ' PHE . 29.5 mm -57.93 -50.94 76.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.558 1.162 . . . . 74.05 109.313 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.468 ' CD ' ' HB3' ' A' ' 70' ' ' LEU . 8.4 tpp85 -59.25 -31.32 68.97 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.491 1.12 . . . . 63.25 110.229 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.573 ' HD3' ' CD1' ' A' ' 62' ' ' TYR . 0.1 OUTLIER -64.5 -53.71 43.75 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.529 1.143 . . . . 71.45 109.312 -179.962 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . 0.412 ' HG3' ' OH ' ' A' ' 49' ' ' TYR . 0.7 OUTLIER -48.26 -66.16 0.45 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.572 1.17 . . . . 74.15 110.313 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.732 HD11 HD12 ' A' ' 76' ' ' ILE . 5.4 pt -71.23 -5.98 6.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.516 1.135 . . . . 74.21 109.261 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . 0.508 ' CG ' ' O ' ' A' ' 68' ' ' ILE . 9.0 ptp 43.21 43.96 4.23 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 64.34 110.974 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.475 HD12 ' HA ' ' A' ' 70' ' ' LEU . 5.6 tp -66.79 140.75 96.43 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 62.43 109.321 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.422 ' HD3' ' HA ' ' A' ' 70' ' ' LEU . 18.3 Cg_endo -75.13 167.57 26.63 Favored 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.433 1.754 . . . . 75.31 110.972 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 0.13 9.25 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.612 1.848 . . . . 73.31 110.997 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -89.23 4.06 49.93 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 75.11 110.3 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -124.85 -179.39 4.51 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.475 1.11 . . . . 74.24 109.287 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.408 ' HB1' ' CE1' ' A' ' 77' ' ' PHE . . . -138.27 138.06 38.07 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.125 . . . . 54.01 109.304 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.732 HD12 HD11 ' A' ' 68' ' ' ILE . 0.9 OUTLIER -131.66 121.44 47.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.56 1.163 . . . . 71.13 109.254 -180.0 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.478 ' HB3' HD11 ' A' ' 84' ' ' LEU . 70.5 m-85 -120.42 143.08 48.66 Favored 'General case' 0 C--N 1.327 -0.408 0 O-C-N 124.468 1.105 . . . . 70.23 111.02 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.726 ' CG1' HG22 ' A' ' 61' ' ' VAL . 3.7 mm -84.7 157.84 3.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.448 1.092 . . . . 70.04 109.33 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . 0.484 ' N ' ' O ' ' A' ' 108' ' ' THR . 5.8 m-85 -148.23 129.76 14.92 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 63.12 111.085 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.593 ' O ' HG22 ' A' ' 83' ' ' THR . 2.0 t -138.2 114.87 11.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.424 1.077 . . . . 75.21 109.3 -179.899 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . 0.481 ' O ' ' CB ' ' A' ' 82' ' ' ASP . 1.1 m-80 67.31 20.28 10.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.146 . . . . 74.42 109.347 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . 0.481 ' CB ' ' O ' ' A' ' 81' ' ' ASN . 0.2 OUTLIER 82.42 16.02 0.4 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.47 1.106 . . . . 75.13 109.259 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . 0.593 HG22 ' O ' ' A' ' 80' ' ' VAL . 0.7 OUTLIER -121.45 137.59 54.65 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.469 1.106 . . . . 74.25 110.372 -179.936 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.501 ' CD1' ' O ' ' A' ' 78' ' ' ILE . 0.2 OUTLIER -92.87 111.22 50.32 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.574 1.171 . . . . 64.22 109.284 179.958 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . 0.405 ' HD3' ' O ' ' A' ' 83' ' ' THR . 18.3 Cg_endo -75.01 155.33 42.87 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.483 1.78 . . . . 73.14 110.972 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . 0.643 ' HD2' ' HB2' ' A' ' 89' ' ' ALA . 18.5 Cg_endo -75.03 -163.34 0.18 Allowed 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.65 1.869 . . . . 70.44 111.06 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 7.1 p -97.22 -34.81 10.97 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 62.41 110.323 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -79.62 2.68 21.54 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.412 1.07 . . . . 71.44 109.224 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 1.054 ' HB1' HD11 ' A' ' 94' ' ' ILE . . . -76.44 60.28 1.56 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.444 1.09 . . . . 73.43 109.341 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 1.011 ' CD2' HG22 ' A' ' 56' ' ' THR . 14.6 mt -28.34 118.09 0.11 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 71.21 109.374 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' MET . . . . . 0.4 ' HE2' HG21 ' A' ' 51' ' ' VAL . 48.2 mmm -40.22 -28.22 0.06 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 71.21 110.962 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . 0.419 ' N ' ' O ' ' A' ' 90' ' ' LEU . 1.0 OUTLIER -66.1 -49.66 66.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.595 1.185 . . . . 61.22 109.97 -179.964 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . 0.446 ' N ' ' O ' ' A' ' 90' ' ' LEU . . . -71.96 -8.15 52.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.566 1.166 . . . . 70.44 109.256 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 1.054 HD11 ' HB1' ' A' ' 89' ' ' ALA . 19.8 mm -90.21 -47.6 14.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.565 1.165 . . . . 61.53 109.259 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' TYR . . . . . 0.814 ' CD2' HD23 ' A' ' 105' ' ' LEU . 5.1 t80 -70.9 -6.45 38.44 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 52.14 111.068 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . 0.451 ' O ' ' CG ' ' A' ' 96' ' ' GLN . 19.0 tp60 -100.71 -9.7 21.56 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.454 1.096 . . . . 73.33 110.26 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . 0.466 ' HG3' ' CE1' ' A' ' 98' ' ' HIS . 4.6 pt-20 -118.09 -10.59 10.31 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.535 1.147 . . . . 70.13 110.322 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . 0.503 ' HB2' HD11 ' A' ' 105' ' ' LEU . 25.0 m-70 -125.8 16.78 8.04 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 62.03 109.625 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.474 ' HB3' ' O ' ' A' ' 95' ' ' TYR . 0.1 OUTLIER -57.05 157.19 6.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.607 1.192 . . . . 60.42 109.322 -179.953 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -126.72 173.81 9.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.11 . . . . 64.51 109.29 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 20.9 mmmt -60.45 -31.18 70.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 74.24 109.338 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . 0.545 ' HB3' ' CE2' ' A' ' 11' ' ' PHE . 0.4 OUTLIER -84.11 -15.22 48.09 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.572 1.17 . . . . 52.35 109.293 179.927 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . 0.473 ' O ' ' CE2' ' A' ' 95' ' ' TYR . . . 87.87 -39.31 3.12 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.491 1.119 . . . . 42.14 110.992 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . 0.8 ' HB3' HH21 ' A' ' 14' ' ' ARG . 11.9 m-85 -59.7 121.08 10.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 0.759 . . . . 73.23 110.996 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.814 HD23 ' CD2' ' A' ' 95' ' ' TYR . 0.3 OUTLIER -66.06 146.33 54.8 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 74.42 109.335 179.955 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . 0.423 ' OH ' ' NE ' ' A' ' 14' ' ' ARG . 73.0 m-85 -122.82 88.8 2.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.144 . . . . 64.4 110.929 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . 0.683 HG13 ' HA ' ' A' ' 33' ' ' CYS . 3.1 p -95.09 168.19 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.506 1.129 . . . . 71.32 109.28 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . 0.896 HG23 ' HB3' ' A' ' 34' ' ' GLU . 0.2 OUTLIER -153.02 126.84 8.9 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.468 1.105 . . . . 74.21 110.388 -179.958 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' TYR . . . . . 0.627 ' CD2' HD11 ' A' ' 76' ' ' ILE . 40.4 p90 -112.34 138.68 48.72 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.381 1.051 . . . . 63.54 111.047 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -128.71 162.9 26.3 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.507 1.129 . . . . 73.5 109.978 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' GLY . . . . . 0.483 ' HA3' ' CG2' ' A' ' 41' ' ' ILE . . . -74.01 -31.35 59.94 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.462 1.101 . . . . 54.34 111.01 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . 0.427 ' OE1' ' N ' ' A' ' 112' ' ' GLU . 3.6 pm0 -97.29 177.28 5.61 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 0.784 . . . . 65.25 110.318 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 38.8 t30 . . . . . 0 C--N 1.324 -0.527 0 O-C-N 124.553 1.158 . . . . 71.13 109.314 179.972 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 629' ' ' ILE . . . . . 0.486 ' C ' HD12 ' B' ' 629' ' ' ILE . 0.7 OUTLIER . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 109.284 -0.636 . . . . 61.41 109.284 . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 630' ' ' ALA . . . . . 0.926 ' C ' HG21 ' A' ' 63' ' ' VAL . . . . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.548 1.155 . . . . 73.25 109.303 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 2.1 p . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 110.4 -0.222 . . . . 74.44 110.4 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . 0.618 ' CZ ' ' OH ' ' A' ' 9' ' ' TYR . 59.1 t80 -66.56 -23.1 66.16 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.11 . . . . 75.11 111.031 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.931 ' HD3' HG21 ' A' ' 32' ' ' ILE . 3.8 mtmm -100.86 -24.45 14.36 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.415 1.072 . . . . 72.11 109.289 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 1.3 t -70.09 -6.53 34.55 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.485 1.116 . . . . 63.35 110.002 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . 0.4 ' HB3' ' CD1' ' A' ' 9' ' ' TYR . 6.9 tp10 -79.77 -50.35 10.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 75.05 110.379 179.889 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . 0.618 ' OH ' ' CZ ' ' A' ' 5' ' ' PHE . 2.3 p90 -123.53 165.17 24.23 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.541 1.15 . . . . 62.13 110.958 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -177.16 3.27 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.521 1.8 . . . . 44.44 111.017 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 33.5 t80 -74.52 -33.06 62.69 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.538 1.149 . . . . 73.12 111.074 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.408 ' HG2' ' NZ ' ' A' ' 15' ' ' LYS . 18.9 mt-10 -69.81 -7.2 37.86 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.471 1.107 . . . . 72.25 110.284 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 6.4 tppt? -100.42 -41.52 6.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.141 . . . . 72.31 109.309 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.454 ' NE ' ' OH ' ' A' ' 106' ' ' TYR . 3.3 ptm85 -72.64 -39.57 67.07 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.425 1.078 . . . . 72.4 110.317 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.443 ' N ' ' CG ' ' A' ' 14' ' ' ARG . 47.5 pttt -58.9 -37.22 76.13 Favored 'General case' 0 C--N 1.327 -0.404 0 O-C-N 124.433 1.083 . . . . 63.02 109.363 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -82.4 -16.07 50.38 Favored 'General case' 0 C--N 1.327 -0.392 0 O-C-N 124.467 1.105 . . . . 52.13 109.281 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 27.3 tp10 -76.3 -50.85 13.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.558 1.161 . . . . 64.25 110.321 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.481 ' OG ' ' CD2' ' A' ' 104' ' ' PHE . 0.0 OUTLIER -66.38 -10.35 42.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.59 1.181 . . . . 73.4 110.008 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -72.04 -41.0 67.98 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.138 . . . . 72.31 110.344 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.409 ' HG3' ' N ' ' A' ' 21' ' ' ILE . 0.7 OUTLIER -81.31 -27.91 34.82 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.502 1.126 . . . . 74.03 110.282 179.959 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.456 HG12 ' CE2' ' A' ' 25' ' ' PHE . 3.7 mt -69.05 -19.17 23.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.543 1.152 . . . . 70.13 109.347 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -78.97 -11.96 60.02 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.454 1.097 . . . . 53.32 109.309 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -106.18 -36.63 6.84 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 74.04 109.295 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.503 ' HB3' ' CE1' ' A' ' 25' ' ' PHE . 5.3 mmm180 -81.26 -39.11 25.79 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.145 . . . . 72.2 110.233 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.503 ' CE1' ' HB3' ' A' ' 24' ' ' ARG . 1.9 m-85 -130.41 66.86 79.26 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.597 1.185 . . . . 64.32 111.065 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 -31.91 5.85 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.52 1.8 . . . . 74.2 111.096 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 51.8 m-20 -87.42 11.73 13.89 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.474 1.109 . . . . 72.44 109.246 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.503 ' O ' HD13 ' A' ' 29' ' ' ILE . 1.6 mmt-85 -105.77 -175.94 2.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 75.13 110.324 179.891 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.679 HG23 ' CB ' ' A' ' 95' ' ' TYR . 37.4 mm -145.08 97.34 4.84 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 73.21 109.207 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.53 ' HA ' ' CD2' ' A' ' 50' ' ' LEU . 18.2 Cg_endo -75.06 139.63 24.36 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.502 1.79 . . . . 64.02 111.031 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.857 HG23 ' HB3' ' A' ' 105' ' ' LEU . 5.0 p -156.76 147.22 11.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 75.34 109.272 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.931 HG21 ' HD3' ' A' ' 6' ' ' LYS . 4.4 mm -111.11 105.76 19.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 65.24 109.295 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.581 ' HB2' ' CD1' ' A' ' 49' ' ' TYR . 0.5 OUTLIER -76.36 146.77 38.53 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 43.2 108.28 -179.969 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.683 ' HB3' HG23 ' A' ' 108' ' ' THR . 6.3 tt0 -135.42 168.82 18.5 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.572 1.17 . . . . 74.13 110.296 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.413 ' HD2' ' N ' ' A' ' 36' ' ' ALA . 0.0 OUTLIER -127.19 127.42 44.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 74.11 109.293 -179.975 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.458 ' HB3' ' HB2' ' A' ' 110' ' ' SER . . . -74.45 134.87 42.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.115 . . . . 61.54 109.289 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.447 ' CG ' ' N ' ' A' ' 38' ' ' LYS . 11.2 pt-20 -64.72 -52.25 58.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 72.1 110.312 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.447 ' N ' ' CG ' ' A' ' 37' ' ' GLU . 47.3 mttt -41.83 -36.6 1.07 Allowed 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.395 1.06 . . . . 70.13 109.294 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -54.62 169.97 0.18 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 61.22 109.998 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -123.43 13.7 9.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 65.12 109.337 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.59 HD11 ' CE1' ' A' ' 109' ' ' TYR . 0.1 OUTLIER -89.11 165.6 25.8 Favored Pre-proline 0 C--N 1.327 -0.402 0 O-C-N 124.469 1.105 . . . . 75.43 109.302 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . 0.608 ' O ' HG21 ' A' ' 68' ' ' ILE . 18.2 Cg_endo -74.99 130.03 12.9 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.547 1.814 . . . . 64.4 110.977 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 22.3 tt0 -61.38 155.44 21.5 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.518 1.136 . . . . 74.43 110.27 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.643 HD13 ' O ' ' A' ' 46' ' ' LYS . 6.7 tt -80.71 158.46 4.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.542 1.151 . . . . 73.53 109.26 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . 0.436 ' N ' HG12 ' A' ' 44' ' ' ILE . 0.9 OUTLIER -66.29 -46.84 75.6 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.528 1.143 . . . . 74.13 109.245 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.643 ' O ' HD13 ' A' ' 44' ' ' ILE . 0.0 OUTLIER -149.47 170.45 18.55 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.448 1.092 . . . . 72.31 109.253 -179.982 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.702 ' HB3' HG22 ' A' ' 32' ' ' ILE . 3.1 mtt180 -114.41 93.72 4.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 73.31 110.379 179.905 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.558 ' HE2' ' CZ ' ' A' ' 5' ' ' PHE . 0.0 OUTLIER -168.81 118.12 0.7 Allowed 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.499 1.124 . . . . 65.41 109.273 179.954 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.698 ' CE2' ' CD1' ' A' ' 64' ' ' ILE . 46.5 m-85 -141.03 122.26 14.79 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.555 1.159 . . . . 72.34 111.047 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.53 ' CD2' ' HA ' ' A' ' 30' ' ' PRO . 6.7 mt -110.26 76.75 1.0 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 74.33 109.302 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.631 HG21 ' HE2' ' A' ' 91' ' ' MET . 31.4 m -81.22 154.36 72.08 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 63.4 109.333 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . 0.462 ' HD3' ' CB ' ' B' ' 630' ' ' ALA . 18.1 Cg_endo -74.96 173.98 13.57 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.394 1.734 . . . . 72.44 110.962 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -86.83 18.04 3.7 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.45 1.094 . . . . 72.45 109.312 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 47.3 m-20 -119.44 -37.89 3.09 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.542 1.151 . . . . 72.41 109.278 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.432 ' HG ' ' CB ' ' A' ' 59' ' ' GLN . 0.5 OUTLIER -58.76 137.02 57.89 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.56 1.163 . . . . 73.35 109.259 -179.949 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.49 HG22 ' CD1' ' A' ' 90' ' ' LEU . 1.4 p -96.83 -175.67 3.35 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.529 1.143 . . . . 33.54 110.413 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.668 ' O ' HG23 ' A' ' 61' ' ' VAL . 2.6 t -70.64 -40.54 77.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.403 1.064 . . . . 60.44 109.26 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -66.5 -32.75 82.6 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.514 1.134 . . . . 73.23 111.026 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . 0.432 ' CB ' ' HG ' ' A' ' 55' ' ' LEU . 8.1 mt-30 -77.51 -24.0 50.15 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 0.748 . . . . 74.53 110.283 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.583 ' CZ ' HD11 ' A' ' 64' ' ' ILE . 36.5 t80 -77.13 -42.59 37.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 73.03 111.048 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.676 HG13 ' CG2' ' A' ' 76' ' ' ILE . 66.6 t -53.26 -34.45 22.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.506 1.129 . . . . 73.01 109.261 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.575 ' CE1' ' HD2' ' A' ' 66' ' ' LYS . 0.7 OUTLIER -57.74 -38.27 75.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 74.54 110.992 -179.97 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.653 HG11 ' HA ' ' B' ' 629' ' ' ILE . 64.3 t -74.72 -44.95 45.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 65.32 109.287 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.698 ' CD1' ' CE2' ' A' ' 49' ' ' TYR . 8.2 mm -60.38 -32.93 52.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.526 1.141 . . . . 74.05 109.334 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.431 ' CD ' ' HB3' ' A' ' 70' ' ' LEU . 5.5 tpp85 -82.32 -10.99 58.88 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.447 1.092 . . . . 63.25 110.286 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.575 ' HD2' ' CE1' ' A' ' 62' ' ' TYR . 4.6 mttp -86.57 -39.49 16.13 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.582 1.176 . . . . 71.45 109.316 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -59.67 -41.23 90.15 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.507 1.129 . . . . 74.15 110.387 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.608 HG21 ' O ' ' A' ' 42' ' ' PRO . 3.9 pt -99.82 4.25 10.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 74.21 109.31 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . 0.402 ' C ' ' O ' ' A' ' 68' ' ' ILE . 3.5 ptp 37.43 34.53 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 64.34 110.916 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.499 HD12 ' HD2' ' A' ' 71' ' ' PRO . 19.5 tp -51.0 139.24 23.33 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.468 1.105 . . . . 62.43 109.286 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.499 ' HD2' HD12 ' A' ' 70' ' ' LEU . 18.2 Cg_endo -75.1 171.45 18.29 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.531 1.806 . . . . 75.31 110.988 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -14.92 21.14 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.505 1.792 . . . . 73.31 111.047 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -71.45 -18.94 62.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.607 1.192 . . . . 75.11 110.307 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 2.9 mttm -109.54 -179.02 3.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.416 1.073 . . . . 74.24 109.317 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -136.5 -179.45 5.69 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.542 1.151 . . . . 54.01 109.278 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.707 HD11 ' CD1' ' A' ' 109' ' ' TYR . 1.3 tt -165.62 136.08 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.469 1.106 . . . . 71.13 109.298 -179.892 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.635 ' HB3' HD11 ' A' ' 84' ' ' LEU . 89.1 m-85 -135.25 133.01 38.52 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.527 1.142 . . . . 70.23 111.094 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.636 ' CG1' HG22 ' A' ' 61' ' ' VAL . 5.7 mm -84.25 123.54 39.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.42 1.075 . . . . 70.04 109.337 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -112.86 122.19 46.9 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.535 1.147 . . . . 63.12 110.968 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.581 HG11 ' CD2' ' A' ' 98' ' ' HIS . 8.2 p -125.78 108.31 19.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.46 1.1 . . . . 75.21 109.28 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . 0.545 ' ND2' HG22 ' A' ' 80' ' ' VAL . 4.0 m-80 73.27 29.07 1.73 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.466 1.104 . . . . 74.42 109.358 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 70.43 13.56 7.47 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.487 1.117 . . . . 75.13 109.361 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . 0.508 ' O ' ' CG2' ' A' ' 83' ' ' THR . 0.5 OUTLIER -126.47 112.33 15.46 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.452 1.095 . . . . 74.25 110.418 -179.97 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.635 HD11 ' HB3' ' A' ' 77' ' ' PHE . 0.5 OUTLIER -73.34 115.21 38.82 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.59 1.181 . . . . 64.22 109.241 -179.969 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 161.06 39.44 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.447 1.761 . . . . 73.14 111.022 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . 0.713 ' HD2' ' HB2' ' A' ' 89' ' ' ALA . 18.4 Cg_endo -75.08 -179.79 5.35 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.486 1.782 . . . . 70.44 110.995 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 2.7 p -82.16 -35.05 28.8 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.438 1.086 . . . . 62.41 110.443 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -80.97 6.02 14.6 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.533 1.146 . . . . 71.44 109.302 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 1.095 ' HB1' HD11 ' A' ' 94' ' ' ILE . . . -76.34 62.66 1.84 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 73.43 109.263 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.559 ' C ' ' O ' ' A' ' 89' ' ' ALA . 0.6 OUTLIER -26.73 114.89 0.06 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.556 1.16 . . . . 71.21 109.309 179.963 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' MET . . . . . 0.631 ' HE2' HG21 ' A' ' 51' ' ' VAL . 48.7 mmm -40.28 -27.77 0.05 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.57 1.169 . . . . 71.21 110.984 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . 0.419 ' N ' ' O ' ' A' ' 90' ' ' LEU . 0.4 OUTLIER -66.64 -52.08 48.96 Favored 'General case' 0 C--N 1.323 -0.563 0 O-C-N 124.543 1.152 . . . . 61.22 109.962 -179.907 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . 0.407 ' N ' ' O ' ' A' ' 90' ' ' LEU . . . -69.99 -8.27 47.69 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.56 1.163 . . . . 70.44 109.307 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 1.095 HD11 ' HB1' ' A' ' 89' ' ' ALA . 36.8 mm -92.44 -42.41 13.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.105 . . . . 61.53 109.297 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' TYR . . . . . 0.679 ' CB ' HG23 ' A' ' 29' ' ' ILE . 4.0 t80 -76.58 -4.54 43.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.115 . . . . 52.14 110.989 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . 0.442 ' O ' ' CG ' ' A' ' 96' ' ' GLN . 22.8 tp60 -104.26 -10.3 17.96 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.547 1.155 . . . . 73.33 110.242 -179.906 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -121.22 -5.89 9.42 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.486 1.116 . . . . 70.13 110.287 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . 0.71 ' HB2' HD11 ' A' ' 105' ' ' LEU . 8.8 m-70 -123.46 11.98 9.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.657 1.223 . . . . 62.03 109.606 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.482 ' HB3' ' O ' ' A' ' 95' ' ' TYR . 0.1 OUTLIER -67.09 155.45 38.68 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.537 1.148 . . . . 60.42 109.317 179.959 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . 0.422 ' O ' ' N ' ' A' ' 103' ' ' GLY . 1.3 t70 -130.63 178.21 6.8 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.425 1.078 . . . . 64.51 109.28 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 29.8 mtmm -47.06 -53.87 11.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.584 1.177 . . . . 74.24 109.265 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -61.62 -26.16 67.82 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.485 1.115 . . . . 52.35 109.312 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . 0.422 ' N ' ' O ' ' A' ' 100' ' ' ASP . . . 93.88 -39.39 2.94 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.519 1.137 . . . . 42.14 110.976 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . 0.553 ' O ' ' CE2' ' A' ' 106' ' ' TYR . 12.6 m-85 -57.36 122.18 11.96 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.499 0.764 . . . . 73.23 111.003 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.857 ' HB3' HG23 ' A' ' 31' ' ' VAL . 0.2 OUTLIER -61.75 163.48 7.32 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.435 1.084 . . . . 74.42 109.268 -179.95 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . 0.553 ' CE2' ' O ' ' A' ' 104' ' ' PHE . 81.5 m-85 -145.64 115.33 7.27 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.56 1.163 . . . . 64.4 110.983 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . 0.711 HG23 ' N ' ' A' ' 108' ' ' THR . 1.4 m -122.42 -178.29 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.455 1.097 . . . . 71.32 109.316 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . 0.711 ' N ' HG23 ' A' ' 107' ' ' VAL . 1.2 m -153.22 106.12 2.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 74.21 110.372 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' TYR . . . . . 0.707 ' CD1' HD11 ' A' ' 76' ' ' ILE . 11.4 p90 -94.87 122.9 37.98 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.478 1.112 . . . . 63.54 110.974 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . 0.458 ' HB2' ' HB3' ' A' ' 36' ' ' ALA . 15.2 t -134.46 155.14 50.87 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.538 1.149 . . . . 73.5 109.998 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -58.78 -40.64 95.28 Favored Glycine 0 CA--C 1.528 0.9 0 O-C-N 124.415 1.072 . . . . 54.34 110.935 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 25.9 pm0 -94.26 151.89 19.1 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.454 0.738 . . . . 65.25 110.326 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 60.2 t-20 . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 71.13 109.328 -179.95 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 629' ' ' ILE . . . . . 0.653 ' HA ' HG11 ' A' ' 63' ' ' VAL . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.27 -0.641 . . . . 61.41 109.27 . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 630' ' ' ALA . . . . . 0.574 ' HB2' HG12 ' A' ' 51' ' ' VAL . . . . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 73.25 109.311 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 2.1 p . . . . . 0 N--CA 1.452 -0.353 0 N-CA-C 110.391 -0.226 . . . . 74.44 110.391 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . 0.609 ' CZ ' ' OH ' ' A' ' 9' ' ' TYR . 20.2 t80 -62.67 -12.7 25.09 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 75.11 110.997 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 12.0 tttt -100.48 -13.8 18.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.566 1.166 . . . . 72.11 109.302 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 28.8 t -103.63 5.29 36.37 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.528 1.143 . . . . 63.35 110.039 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . 0.573 ' HB3' ' CE2' ' A' ' 9' ' ' TYR . 18.9 tp10 -84.13 -18.4 36.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.412 1.07 . . . . 75.05 110.232 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . 0.609 ' OH ' ' CZ ' ' A' ' 5' ' ' PHE . 0.3 OUTLIER -159.26 171.33 7.51 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.565 1.166 . . . . 62.13 110.976 179.986 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -177.17 3.28 Favored 'Trans proline' 0 C--N 1.361 1.232 0 O-C-N 124.421 1.748 . . . . 44.44 111.033 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.53 ' HA ' ' CD ' ' A' ' 14' ' ' ARG . 1.0 OUTLIER -73.27 -22.85 60.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.41 1.069 . . . . 73.12 110.987 -179.95 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.48 ' HA ' ' CD ' ' A' ' 15' ' ' LYS . 40.4 mt-10 -75.57 -4.09 37.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.57 1.169 . . . . 72.25 110.351 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.542 ' HA ' ' HZ3' ' A' ' 13' ' ' LYS . 0.1 OUTLIER -86.17 -64.66 1.12 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.411 1.069 . . . . 72.31 109.29 -179.971 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.53 ' CD ' ' HA ' ' A' ' 11' ' ' PHE . 0.0 OUTLIER -57.83 -25.35 60.52 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.546 1.154 . . . . 72.4 110.348 179.97 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.48 ' CD ' ' HA ' ' A' ' 12' ' ' GLU . 34.0 pttt -76.55 -40.3 50.21 Favored 'General case' 0 C--N 1.323 -0.566 0 O-C-N 124.512 1.132 . . . . 63.02 109.27 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -74.81 -27.92 60.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.57 1.169 . . . . 52.13 109.352 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 36.7 tp10 -71.7 -42.59 67.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 64.25 110.261 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.52 ' HB3' ' CD1' ' A' ' 104' ' ' PHE . 60.2 p -73.58 -8.61 56.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.148 . . . . 73.4 110.027 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -81.45 -28.41 34.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 72.31 110.285 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 23.0 ptt180 -101.81 -29.8 11.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.412 1.07 . . . . 74.03 110.275 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 6.7 mt -62.34 -20.89 25.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.112 . . . . 70.13 109.251 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -71.98 -20.11 61.78 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.486 1.116 . . . . 53.32 109.263 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -101.74 -36.56 8.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.585 1.178 . . . . 74.04 109.297 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.506 ' HB3' ' CD2' ' A' ' 25' ' ' PHE . 0.2 OUTLIER -71.01 -53.1 15.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.459 1.099 . . . . 72.2 110.224 -179.929 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.506 ' CD2' ' HB3' ' A' ' 24' ' ' ARG . 4.7 m-85 -136.32 81.84 36.28 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.477 1.111 . . . . 64.32 110.995 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 -8.18 19.91 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.392 1.733 . . . . 74.2 110.91 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 7.5 p30 -107.42 27.29 9.25 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.421 1.075 . . . . 72.44 109.285 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.53 ' HB3' HD11 ' A' ' 50' ' ' LEU . 19.8 mmt-85 -113.85 178.1 4.4 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.477 1.111 . . . . 75.13 110.232 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.574 HG23 ' CB ' ' A' ' 95' ' ' TYR . 37.4 mm -147.64 93.02 4.65 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.351 1.032 . . . . 73.21 109.292 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.584 ' HD2' ' CE2' ' A' ' 95' ' ' TYR . 18.4 Cg_endo -75.04 119.72 5.76 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.554 1.818 . . . . 64.02 110.982 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.814 HG23 ' HB3' ' A' ' 105' ' ' LEU . 3.8 p -137.6 148.5 25.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.456 1.097 . . . . 75.34 109.39 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.554 HG23 ' O ' ' A' ' 47' ' ' ARG . 40.4 mm -113.1 105.53 18.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.142 . . . . 65.24 109.263 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.45 ' HB3' ' CE1' ' A' ' 49' ' ' TYR . 2.6 t -93.31 128.01 39.15 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.482 1.114 . . . . 43.2 108.3 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.458 ' O ' ' CD1' ' A' ' 109' ' ' TYR . 5.8 tp10 -125.77 166.04 17.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 74.13 110.308 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.569 ' HG2' ' CE2' ' A' ' 109' ' ' TYR . 0.0 OUTLIER -103.99 127.61 51.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.567 1.167 . . . . 74.11 109.292 179.957 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.419 ' N ' ' HD2' ' A' ' 35' ' ' LYS . . . -70.91 138.42 50.1 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.57 1.169 . . . . 61.54 109.274 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.453 ' CG ' ' N ' ' A' ' 38' ' ' LYS . 11.7 pt-20 -62.08 -49.28 76.57 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.537 1.148 . . . . 72.1 110.352 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.453 ' N ' ' CG ' ' A' ' 37' ' ' GLU . 0.1 OUTLIER -44.92 -50.93 10.21 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.543 1.152 . . . . 70.13 109.274 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -42.69 164.03 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.549 1.155 . . . . 61.22 110.039 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 68.3 m-20 -117.54 1.62 12.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.412 1.07 . . . . 65.12 109.313 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.601 HD11 ' CE2' ' A' ' 109' ' ' TYR . 0.1 OUTLIER -75.26 166.2 47.39 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.137 . . . . 75.43 109.35 179.916 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . 0.433 ' O ' HG21 ' A' ' 68' ' ' ILE . 18.3 Cg_endo -75.0 127.82 10.99 Favored 'Trans proline' 0 C--N 1.358 1.077 0 O-C-N 124.528 1.804 . . . . 64.4 110.942 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 7.7 tt0 -62.4 156.37 22.78 Favored 'General case' 0 C--N 1.327 -0.404 0 O-C-N 124.415 1.072 . . . . 74.43 110.301 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.496 HD12 ' OH ' ' A' ' 49' ' ' TYR . 16.5 tt -85.4 157.94 3.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.563 1.164 . . . . 73.53 109.284 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -62.22 -48.41 80.12 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.559 1.162 . . . . 74.13 109.263 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -143.3 165.49 27.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.566 1.166 . . . . 72.31 109.266 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.554 ' O ' HG23 ' A' ' 32' ' ' ILE . 3.5 ptm180 -111.46 94.88 5.19 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.636 1.21 . . . . 73.31 110.361 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.546 ' HD3' ' CE1' ' A' ' 5' ' ' PHE . 15.0 tptp -166.65 127.89 1.7 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 65.41 109.303 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.698 ' CE2' ' CD1' ' A' ' 64' ' ' ILE . 44.8 m-85 -149.43 104.14 3.35 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.465 1.103 . . . . 72.34 110.996 -179.899 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.53 HD11 ' HB3' ' A' ' 28' ' ' ARG . 17.9 tp -98.6 77.26 2.28 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.504 1.127 . . . . 74.33 109.318 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 1.027 HG12 ' HB2' ' B' ' 630' ' ' ALA . 30.2 m -82.35 157.7 67.49 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.463 1.102 . . . . 63.4 109.245 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.06 176.76 9.51 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.477 1.777 . . . . 72.44 110.977 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -89.65 18.31 5.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 72.45 109.281 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -117.42 -38.05 3.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.449 1.093 . . . . 72.41 109.361 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.444 HD21 ' HA ' ' A' ' 60' ' ' PHE . 0.4 OUTLIER -56.43 135.58 54.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 73.35 109.276 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 1.074 HG22 ' CD2' ' A' ' 90' ' ' LEU . 10.6 p -95.18 169.67 9.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 33.54 110.406 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.418 ' HB ' ' O ' ' A' ' 86' ' ' PRO . 2.4 t -59.83 -47.85 89.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 60.44 109.296 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -61.27 -30.96 75.41 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.442 1.089 . . . . 73.23 110.982 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 9.2 mt-30 -82.35 -21.12 36.11 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.519 0.776 . . . . 74.53 110.272 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.444 ' HA ' HD21 ' A' ' 55' ' ' LEU . 20.7 t80 -76.14 -41.98 48.29 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.501 1.126 . . . . 73.03 110.952 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.864 HG13 ' CG2' ' A' ' 76' ' ' ILE . 48.0 t -51.53 -38.05 20.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 73.01 109.311 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.522 ' CZ ' ' HE2' ' A' ' 66' ' ' LYS . 0.7 OUTLIER -55.19 -38.85 68.89 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.536 1.148 . . . . 74.54 110.956 -179.977 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.746 HG21 ' HA ' ' B' ' 630' ' ' ALA . 64.1 t -65.0 -38.14 82.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.123 . . . . 65.32 109.312 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.698 ' CD1' ' CE2' ' A' ' 49' ' ' TYR . 6.4 mm -69.04 -39.8 80.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.123 . . . . 74.05 109.361 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.458 ' CD ' ' HB3' ' A' ' 70' ' ' LEU . 5.9 tpp85 -72.84 -3.78 27.65 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.424 1.077 . . . . 63.25 110.387 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.522 ' HE2' ' CZ ' ' A' ' 62' ' ' TYR . 0.7 OUTLIER -94.14 -42.73 8.83 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.395 1.059 . . . . 71.45 109.25 -179.91 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -60.55 -36.95 79.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.582 1.176 . . . . 74.15 110.297 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.545 HD11 ' CD1' ' A' ' 76' ' ' ILE . 2.7 pt -105.57 4.03 10.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.557 1.161 . . . . 74.21 109.348 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . 0.405 ' C ' ' O ' ' A' ' 68' ' ' ILE . 4.9 ptp 37.47 33.55 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.142 . . . . 64.34 111.006 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.489 HD22 HD12 ' A' ' 68' ' ' ILE . 5.4 tp -54.24 140.48 53.96 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 62.43 109.288 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.95 170.93 19.31 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.57 1.826 . . . . 75.31 111.026 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 -2.15 12.16 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.554 1.818 . . . . 73.31 111.051 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -87.96 2.13 52.44 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.504 1.128 . . . . 75.11 110.311 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 11.1 mttm -121.38 -179.09 3.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 74.24 109.284 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -141.67 149.61 40.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 54.01 109.272 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.864 ' CG2' HG13 ' A' ' 61' ' ' VAL . 2.6 tt -141.83 124.91 15.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.576 1.173 . . . . 71.13 109.326 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.831 ' HB3' HD21 ' A' ' 84' ' ' LEU . 99.0 m-85 -119.87 134.32 55.28 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.553 1.158 . . . . 70.23 111.013 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.658 ' CG2' HG21 ' A' ' 107' ' ' VAL . 3.2 mm -86.85 114.22 25.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 70.04 109.347 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -104.47 118.74 37.35 Favored 'General case' 0 C--N 1.323 -0.556 0 O-C-N 124.6 1.188 . . . . 63.12 110.974 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.928 HG22 ' ND2' ' A' ' 81' ' ' ASN . 1.7 p -125.9 105.22 14.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.409 1.068 . . . . 75.21 109.312 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . 0.928 ' ND2' HG22 ' A' ' 80' ' ' VAL . 3.3 m-20 74.71 31.87 0.91 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.458 1.099 . . . . 74.42 109.297 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 69.43 13.16 8.4 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.494 1.121 . . . . 75.13 109.285 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . 0.67 HG22 ' O ' ' A' ' 80' ' ' VAL . 0.6 OUTLIER -119.5 141.58 49.06 Favored 'General case' 0 C--N 1.327 -0.408 0 O-C-N 124.526 1.141 . . . . 74.25 110.387 179.951 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.831 HD21 ' HB3' ' A' ' 77' ' ' PHE . 1.3 mt -103.59 110.33 63.66 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 64.22 109.25 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.12 156.83 42.51 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.52 1.8 . . . . 73.14 111.029 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . 0.68 ' HD2' ' HB2' ' A' ' 89' ' ' ALA . 18.3 Cg_endo -75.0 175.59 11.04 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.491 1.785 . . . . 70.44 110.99 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 20.8 p -77.43 -35.36 54.14 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.478 1.111 . . . . 62.41 110.371 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -77.19 1.48 18.27 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.542 1.152 . . . . 71.44 109.306 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.915 ' HB1' HD11 ' A' ' 94' ' ' ILE . . . -75.92 61.21 1.45 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 73.43 109.31 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 1.074 ' CD2' HG22 ' A' ' 56' ' ' THR . 20.8 mt -27.65 118.79 0.1 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.55 1.156 . . . . 71.21 109.273 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' MET . . . . . 0.589 ' HE2' HG21 ' A' ' 51' ' ' VAL . 48.7 mmm -39.68 -28.01 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.148 . . . . 71.21 111.004 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . 0.437 ' N ' ' O ' ' A' ' 90' ' ' LEU . 18.0 t -65.56 -49.28 69.47 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.464 1.102 . . . . 61.22 110.015 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . 0.458 ' N ' ' O ' ' A' ' 90' ' ' LEU . . . -73.21 -8.3 55.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 70.44 109.286 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.915 HD11 ' HB1' ' A' ' 89' ' ' ALA . 13.2 mm -88.18 -52.1 11.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.128 . . . . 61.53 109.217 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' TYR . . . . . 0.75 ' CD2' HD23 ' A' ' 105' ' ' LEU . 5.2 t80 -69.28 -6.33 28.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.552 1.157 . . . . 52.14 110.952 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . 0.435 ' O ' ' CG ' ' A' ' 96' ' ' GLN . 3.7 tt0 -102.82 -11.68 18.13 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.496 1.122 . . . . 73.33 110.321 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -113.59 -18.24 11.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 70.13 110.3 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . 0.516 ' HD2' HG23 ' A' ' 94' ' ' ILE . 60.0 m-70 -119.65 19.15 12.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 62.03 109.572 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.512 ' HB3' ' O ' ' A' ' 95' ' ' TYR . 0.1 OUTLIER -58.75 158.11 8.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.117 . . . . 60.42 109.316 179.928 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . 0.436 ' O ' ' N ' ' A' ' 103' ' ' GLY . 0.3 OUTLIER -127.76 170.57 12.6 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.424 1.078 . . . . 64.51 109.303 179.933 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 30.9 mtmt -42.75 -65.68 0.45 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 74.24 109.292 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -52.81 -28.45 22.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.444 1.09 . . . . 52.35 109.359 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . 0.436 ' N ' ' O ' ' A' ' 100' ' ' ASP . . . 104.98 -38.6 3.21 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.588 1.18 . . . . 42.14 110.934 179.882 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . 0.52 ' CD1' ' HB3' ' A' ' 18' ' ' SER . 2.9 m-85 -54.96 144.68 22.38 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.517 0.775 . . . . 73.23 111.048 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.814 ' HB3' HG23 ' A' ' 31' ' ' VAL . 0.2 OUTLIER -85.89 155.34 20.98 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.568 1.167 . . . . 74.42 109.248 -179.961 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . 0.515 ' OH ' ' CZ ' ' A' ' 14' ' ' ARG . 59.9 m-85 -146.21 109.13 4.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.55 1.156 . . . . 64.4 111.017 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . 0.727 HG23 ' N ' ' A' ' 108' ' ' THR . 1.3 m -119.54 -176.35 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.11 . . . . 71.32 109.295 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . 0.727 ' N ' HG23 ' A' ' 107' ' ' VAL . 1.2 m -153.28 113.52 3.97 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.552 1.157 . . . . 74.21 110.337 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' TYR . . . . . 0.767 ' CD2' HD11 ' A' ' 76' ' ' ILE . 29.9 p90 -94.41 131.73 39.78 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.465 1.103 . . . . 63.54 111.008 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . 0.416 ' HB3' ' HB3' ' A' ' 36' ' ' ALA . 0.1 OUTLIER -132.6 166.5 21.97 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.431 1.082 . . . . 73.5 109.981 179.974 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' GLY . . . . . 0.445 ' HA3' ' CG2' ' A' ' 41' ' ' ILE . . . -83.95 2.94 86.96 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.581 1.176 . . . . 54.34 111.024 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -121.39 156.03 33.53 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.436 0.727 . . . . 65.25 110.35 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . 0.552 ' ND2' HD13 ' A' ' 84' ' ' LEU . 16.2 t-20 . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.562 1.164 . . . . 71.13 109.241 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 629' ' ' ILE . . . . . 0.607 ' C ' HG11 ' A' ' 63' ' ' VAL . 0.8 OUTLIER . . . . . 0 N--CA 1.454 -0.253 0 N-CA-C 109.312 -0.625 . . . . 61.41 109.312 . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 630' ' ' ALA . . . . . 1.027 ' HB2' HG12 ' A' ' 51' ' ' VAL . . . . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.402 1.064 . . . . 73.25 109.357 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.453 ' OG1' ' N ' ' A' ' 5' ' ' PHE . 71.0 p . . . . . 0 N--CA 1.452 -0.334 0 N-CA-C 110.394 -0.224 . . . . 74.44 110.394 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . 0.603 ' CE1' ' OH ' ' A' ' 9' ' ' TYR . 8.5 t80 -60.85 -16.63 43.45 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.55 1.156 . . . . 75.11 110.993 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.427 ' CB ' ' HD3' ' A' ' 47' ' ' ARG . 27.8 ttpp -96.77 -24.47 15.92 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.532 1.145 . . . . 72.11 109.286 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 1.8 t -97.68 3.62 50.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 63.35 109.941 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . 0.409 ' OE2' ' HA ' ' A' ' 8' ' ' GLU . 1.6 mm-40 -78.01 -10.69 59.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.148 . . . . 75.05 110.282 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . 0.603 ' OH ' ' CE1' ' A' ' 5' ' ' PHE . 0.8 OUTLIER -170.12 167.68 4.71 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.495 1.122 . . . . 62.13 111.005 -179.985 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 172.14 16.93 Favored 'Trans proline' 0 C--N 1.361 1.237 0 O-C-N 124.444 1.76 . . . . 44.44 111.009 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.577 ' CE2' ' HB3' ' A' ' 102' ' ' ASP . 0.9 OUTLIER -63.15 -44.02 96.68 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.466 1.104 . . . . 73.12 110.986 179.953 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.424 ' HA ' ' CD ' ' A' ' 15' ' ' LYS . 38.5 mt-10 -58.84 -15.27 11.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 72.25 110.24 -179.905 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 9.5 tppt? -94.75 -52.72 4.15 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.44 1.087 . . . . 72.31 109.357 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.477 ' HD3' ' CB ' ' A' ' 104' ' ' PHE . 1.7 tmm_? -63.61 -19.72 65.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 72.4 110.26 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.566 ' HD3' ' CE1' ' A' ' 11' ' ' PHE . 48.0 pttt -77.06 -43.96 32.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.456 1.097 . . . . 63.02 109.297 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -71.16 -13.52 61.97 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.577 1.173 . . . . 52.13 109.333 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 39.1 tp10 -76.69 -41.06 46.8 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.439 1.087 . . . . 64.25 110.334 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.447 ' HB3' ' CD2' ' A' ' 104' ' ' PHE . 0.6 OUTLIER -76.58 -17.99 58.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 73.4 109.982 179.976 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 20.5 mm-40 -65.41 -58.03 6.86 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.593 1.183 . . . . 72.31 110.337 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 3.8 ptt180 -63.65 -26.28 68.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 74.03 110.305 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 5.6 mt -65.82 -24.32 34.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.104 . . . . 70.13 109.232 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -71.5 -27.51 63.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 53.32 109.218 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 39.1 t0 -88.37 -48.79 7.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 74.04 109.329 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.507 ' HB3' ' CD2' ' A' ' 25' ' ' PHE . 1.8 ttp85 -61.23 -44.27 97.54 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.467 1.104 . . . . 72.2 110.302 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.507 ' CD2' ' HB3' ' A' ' 24' ' ' ARG . 9.5 m-85 -142.73 88.29 8.64 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.445 1.091 . . . . 64.32 111.051 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 -25.75 11.68 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.483 1.781 . . . . 74.2 111.066 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.502 HD22 ' N ' ' A' ' 27' ' ' ASN . 0.9 OUTLIER -97.24 43.01 1.08 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.399 1.062 . . . . 72.44 109.311 -179.984 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.461 ' CG ' ' HB3' ' A' ' 25' ' ' PHE . 0.1 OUTLIER -128.35 168.25 15.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 75.13 110.358 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.561 HG23 ' CB ' ' A' ' 95' ' ' TYR . 11.7 mm -127.38 99.8 27.01 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 73.21 109.22 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.602 ' HA ' HD22 ' A' ' 50' ' ' LEU . 18.4 Cg_endo -75.02 109.74 2.99 Favored 'Trans proline' 0 C--N 1.361 1.224 0 O-C-N 124.423 1.749 . . . . 64.02 110.982 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.641 ' O ' HD13 ' A' ' 32' ' ' ILE . 1.5 m -129.4 168.12 23.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.559 1.162 . . . . 75.34 109.281 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.757 HD11 ' CD1' ' A' ' 104' ' ' PHE . 3.8 mm -136.43 99.6 2.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.451 1.094 . . . . 65.24 109.191 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.601 ' SG ' HD12 ' A' ' 64' ' ' ILE . 3.7 t -64.31 135.55 56.31 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.538 1.149 . . . . 43.2 108.347 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.879 ' CG ' HH21 ' A' ' 47' ' ' ARG . 2.4 tt0 -138.75 166.69 23.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.113 . . . . 74.13 110.236 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.26 136.87 53.42 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.419 1.074 . . . . 74.11 109.336 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -82.94 133.99 35.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 61.54 109.356 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.466 ' CG ' ' N ' ' A' ' 38' ' ' LYS . 11.5 pt-20 -61.99 -49.08 77.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 72.1 110.365 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.466 ' N ' ' CG ' ' A' ' 37' ' ' GLU . 0.0 OUTLIER -44.92 -30.41 1.0 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.419 1.074 . . . . 70.13 109.205 -179.98 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -65.87 171.74 4.15 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.136 . . . . 61.22 109.942 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 19.4 t0 -127.21 18.67 7.03 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.455 1.097 . . . . 65.12 109.222 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.594 HD11 ' CE2' ' A' ' 109' ' ' TYR . 0.1 OUTLIER -94.12 164.14 21.29 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.431 1.082 . . . . 75.43 109.312 -179.947 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . 0.484 ' O ' HG21 ' A' ' 68' ' ' ILE . 18.2 Cg_endo -75.12 130.47 13.18 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.504 1.792 . . . . 64.4 111.006 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 15.5 tt0 -71.46 156.58 39.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 74.43 110.252 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.678 HD11 ' HG3' ' A' ' 67' ' ' ARG . 13.8 tt -73.59 170.72 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.554 1.159 . . . . 73.53 109.405 179.904 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 39.1 m-20 -76.17 -44.21 39.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 74.13 109.354 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.415 ' N ' ' CD ' ' A' ' 46' ' ' LYS . 0.0 OUTLIER -138.92 168.88 18.85 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 72.31 109.318 179.961 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.879 HH21 ' CG ' ' A' ' 34' ' ' GLU . 0.2 OUTLIER -119.28 92.16 3.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 73.31 110.332 -179.958 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.626 ' NZ ' HD23 ' A' ' 50' ' ' LEU . 17.5 tptt -167.89 113.47 0.69 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.644 1.215 . . . . 65.41 109.369 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.64 ' CE2' ' CD1' ' A' ' 64' ' ' ILE . 18.5 m-85 -137.46 121.72 18.09 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 72.34 110.965 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.626 HD23 ' NZ ' ' A' ' 48' ' ' LYS . 0.5 OUTLIER -105.42 76.58 1.22 Allowed 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.484 1.115 . . . . 74.33 109.344 179.976 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.724 HG23 ' HD2' ' A' ' 52' ' ' PRO . 2.4 p -75.61 144.03 76.47 Favored Pre-proline 0 C--N 1.326 -0.423 0 O-C-N 124.419 1.075 . . . . 63.4 109.284 -179.903 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . 0.724 ' HD2' HG23 ' A' ' 51' ' ' VAL . 18.1 Cg_endo -75.01 174.89 12.0 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.506 1.793 . . . . 72.44 110.949 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.529 ' HB1' ' OG ' ' A' ' 92' ' ' SER . . . -89.64 19.16 4.81 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.592 1.182 . . . . 72.45 109.316 179.902 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -120.08 -38.72 2.9 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.478 1.111 . . . . 72.41 109.403 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.443 ' HG ' ' CB ' ' A' ' 59' ' ' GLN . 2.8 tp -60.66 132.84 55.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 73.35 109.231 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.416 HG22 ' CD1' ' A' ' 90' ' ' LEU . 1.3 p -89.59 -173.48 3.97 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.546 1.154 . . . . 33.54 110.355 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 2.4 t -73.56 -44.81 52.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.536 1.147 . . . . 60.44 109.299 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -70.22 -9.2 63.49 Favored Glycine 0 CA--C 1.529 0.921 0 O-C-N 124.411 1.069 . . . . 73.23 111.007 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . 0.443 ' CB ' ' HG ' ' A' ' 55' ' ' LEU . 6.7 mt-30 -95.68 -24.74 16.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.449 0.735 . . . . 74.53 110.27 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.65 ' CE2' HD11 ' A' ' 64' ' ' ILE . 44.1 t80 -77.77 -42.62 33.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.116 . . . . 73.03 111.006 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.706 HG22 HG12 ' A' ' 78' ' ' ILE . 95.6 t -47.91 -34.01 4.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 73.01 109.248 -179.917 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.565 ' CE1' ' HG3' ' A' ' 66' ' ' LYS . 0.2 OUTLIER -60.79 -38.85 86.7 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.557 1.161 . . . . 74.54 111.0 -179.98 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 1.016 HG21 ' C ' ' B' ' 630' ' ' ALA . 43.7 t -70.07 -43.47 79.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 65.32 109.329 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.65 HD11 ' CE2' ' A' ' 60' ' ' PHE . 3.8 mm -65.51 -33.88 66.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.547 1.154 . . . . 74.05 109.318 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.463 ' HE ' HG22 ' A' ' 76' ' ' ILE . 4.4 tpp85 -81.27 -3.25 51.88 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.455 1.097 . . . . 63.25 110.243 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.565 ' HG3' ' CE1' ' A' ' 62' ' ' TYR . 6.7 mmmt -90.52 -49.9 6.24 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.595 1.184 . . . . 71.45 109.297 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . 0.678 ' HG3' HD11 ' A' ' 44' ' ' ILE . 5.5 mmp_? -50.17 -67.5 0.25 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 74.15 110.293 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.496 ' O ' ' CG ' ' A' ' 69' ' ' MET . 5.7 pt -72.02 -6.23 7.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.128 . . . . 74.21 109.283 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . 0.496 ' CG ' ' O ' ' A' ' 68' ' ' ILE . 5.2 ptp 42.73 44.04 3.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 64.34 110.98 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.535 HD12 ' HA ' ' A' ' 70' ' ' LEU . 5.2 tp -53.96 140.51 51.07 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 62.43 109.276 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 170.04 21.29 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.544 1.813 . . . . 75.31 110.937 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.12 -0.42 9.98 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.457 1.767 . . . . 73.31 111.012 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 18.3 pt-20 -92.62 2.92 56.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 75.11 110.311 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -125.87 -179.62 4.76 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.5 1.125 . . . . 74.24 109.356 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -139.36 160.88 38.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.563 1.165 . . . . 54.01 109.304 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.883 HD11 ' CD2' ' A' ' 109' ' ' TYR . 1.6 tt -150.98 135.78 9.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.562 1.164 . . . . 71.13 109.231 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.735 ' HB3' HD11 ' A' ' 84' ' ' LEU . 94.8 m-85 -135.97 138.01 41.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 70.23 111.04 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.736 HG23 HG13 ' A' ' 107' ' ' VAL . 10.3 mm -84.1 135.4 24.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.557 1.161 . . . . 70.04 109.376 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . 0.507 ' CZ ' HD13 ' A' ' 84' ' ' LEU . 3.9 m-85 -127.2 119.99 27.71 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.433 1.083 . . . . 63.12 111.0 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.563 ' O ' HG22 ' A' ' 83' ' ' THR . 1.7 t -119.15 109.45 26.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.464 1.102 . . . . 75.21 109.38 179.888 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . 0.517 ' O ' ' CB ' ' A' ' 82' ' ' ASP . 2.3 m-80 71.95 19.46 4.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.106 . . . . 74.42 109.24 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . 0.517 ' CB ' ' O ' ' A' ' 81' ' ' ASN . 3.9 m-20 82.78 23.42 0.17 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.411 1.069 . . . . 75.13 109.315 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . 0.563 HG22 ' O ' ' A' ' 80' ' ' VAL . 0.7 OUTLIER -131.09 133.64 45.84 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.62 1.2 . . . . 74.25 110.375 179.987 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.735 HD11 ' HB3' ' A' ' 77' ' ' PHE . 0.2 OUTLIER -92.07 112.1 53.28 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 64.22 109.354 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 166.75 28.56 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.524 1.802 . . . . 73.14 111.043 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . 0.888 ' HG2' ' HB2' ' A' ' 89' ' ' ALA . 18.3 Cg_endo -75.04 -167.41 0.42 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.478 1.778 . . . . 70.44 111.017 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 2.8 p -97.48 -37.96 9.78 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.476 1.11 . . . . 62.41 110.351 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -82.42 6.77 16.13 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 71.44 109.307 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 1.039 ' HB1' HD11 ' A' ' 94' ' ' ILE . . . -76.11 61.65 1.59 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.529 1.143 . . . . 73.43 109.335 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.589 ' C ' ' O ' ' A' ' 89' ' ' ALA . 0.4 OUTLIER -24.48 122.4 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.521 1.138 . . . . 71.21 109.239 -179.959 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' MET . . . . . 0.432 ' CG ' ' O ' ' A' ' 55' ' ' LEU . 41.5 mmm -53.55 -17.94 2.47 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.464 1.103 . . . . 71.21 110.984 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . 0.529 ' OG ' ' HB1' ' A' ' 53' ' ' ALA . 5.3 t -72.92 -39.31 66.4 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.447 1.092 . . . . 61.22 109.987 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -85.28 -9.91 57.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 70.44 109.315 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 1.039 HD11 ' HB1' ' A' ' 89' ' ' ALA . 23.3 mm -83.88 -46.22 18.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.569 1.168 . . . . 61.53 109.262 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' TYR . . . . . 0.596 ' CE2' ' HD2' ' A' ' 30' ' ' PRO . 14.5 t80 -70.52 -4.24 21.92 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.464 1.102 . . . . 52.14 111.023 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -100.92 -12.44 18.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 73.33 110.272 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -118.75 -8.18 10.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.457 1.098 . . . . 70.13 110.25 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . 0.616 ' HD2' HG23 ' A' ' 94' ' ' ILE . 87.2 m-70 -129.45 18.07 5.87 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 62.03 109.635 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.509 ' HB3' ' O ' ' A' ' 95' ' ' TYR . 0.0 OUTLIER -54.64 174.0 0.07 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.422 1.077 . . . . 60.42 109.264 -179.944 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -137.06 166.07 24.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 64.51 109.26 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 19.1 mtmm -58.85 -46.31 88.03 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.45 1.094 . . . . 74.24 109.319 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . 0.577 ' HB3' ' CE2' ' A' ' 11' ' ' PHE . 0.4 OUTLIER -70.09 -8.28 48.22 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.495 1.122 . . . . 52.35 109.322 179.944 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 87.73 -39.68 3.1 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.538 1.149 . . . . 42.14 110.954 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . 0.757 ' CD1' HD11 ' A' ' 32' ' ' ILE . 2.9 m-85 -65.08 130.04 41.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 0.781 . . . . 73.23 110.965 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.466 ' HA ' HD12 ' A' ' 105' ' ' LEU . 4.2 tp -71.27 167.7 18.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 74.42 109.261 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . 0.449 ' OH ' ' NH2' ' A' ' 14' ' ' ARG . 63.6 m-85 -141.91 88.76 2.14 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.59 1.181 . . . . 64.4 110.979 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . 0.736 HG13 HG23 ' A' ' 78' ' ' ILE . 2.1 t -90.98 163.45 2.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.552 1.158 . . . . 71.32 109.253 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . 0.825 HG23 ' HB3' ' A' ' 34' ' ' GLU . 0.2 OUTLIER -152.56 108.59 3.36 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.114 . . . . 74.21 110.476 180.0 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' TYR . . . . . 0.883 ' CD2' HD11 ' A' ' 76' ' ' ILE . 37.4 p90 -95.07 138.79 32.32 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.132 . . . . 63.54 110.949 -179.909 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 28.8 t -137.1 154.18 50.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.461 1.101 . . . . 73.5 110.066 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -81.14 5.13 67.9 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.512 1.132 . . . . 54.34 110.99 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -116.77 134.91 54.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 0.753 . . . . 65.25 110.326 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . 0.467 ' HB2' ' CE2' ' A' ' 77' ' ' PHE . 21.8 t-20 . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.467 1.105 . . . . 71.13 109.368 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 629' ' ' ILE . . . . . 0.6 ' C ' HD12 ' B' ' 629' ' ' ILE . 1.2 pp . . . . . 0 N--CA 1.452 -0.335 0 N-CA-C 109.251 -0.648 . . . . 61.41 109.251 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 630' ' ' ALA . . . . . 1.016 ' C ' HG21 ' A' ' 63' ' ' VAL . . . . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.114 . . . . 73.25 109.342 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.433 ' OG1' ' HA ' ' A' ' 46' ' ' LYS . 61.5 p . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 110.399 -0.222 . . . . 74.44 110.399 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . 0.564 ' O ' ' CZ ' ' A' ' 9' ' ' TYR . 9.5 t80 -55.26 -17.61 4.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.554 1.159 . . . . 75.11 111.017 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.486 ' HZ2' ' CZ ' ' A' ' 47' ' ' ARG . 0.0 OUTLIER -100.13 -26.71 13.85 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.515 1.134 . . . . 72.11 109.368 179.956 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -87.12 4.95 40.17 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.365 1.041 . . . . 63.35 109.973 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . 0.568 ' HB3' ' CD2' ' A' ' 9' ' ' TYR . 1.4 tp10 -87.09 -37.15 17.66 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 75.05 110.279 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . 0.568 ' CD2' ' HB3' ' A' ' 8' ' ' GLU . 0.4 OUTLIER -143.7 169.09 11.07 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.506 1.129 . . . . 62.13 110.974 -179.965 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 177.81 8.07 Favored 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.528 1.804 . . . . 44.44 111.079 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.436 ' CE2' ' HB3' ' A' ' 102' ' ' ASP . 2.0 t80 -62.07 -54.05 46.86 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.604 1.19 . . . . 73.12 110.991 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.435 ' O ' ' N ' ' A' ' 15' ' ' LYS . 29.3 mp0 -46.81 -55.34 8.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.13 . . . . 72.25 110.277 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.42 ' HG2' ' CB ' ' A' ' 9' ' ' TYR . 0.1 OUTLIER -45.45 -31.41 1.72 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.396 1.06 . . . . 72.31 109.315 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.469 ' NH2' ' CZ ' ' A' ' 106' ' ' TYR . 14.8 mtp85 -84.39 -35.02 23.44 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.469 1.106 . . . . 72.4 110.229 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.435 ' N ' ' O ' ' A' ' 12' ' ' GLU . 9.3 pttt -62.48 -42.57 99.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.135 . . . . 63.02 109.348 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -68.38 -25.38 65.04 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.402 1.063 . . . . 52.13 109.315 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.401 ' C ' ' N ' ' A' ' 19' ' ' GLU . 28.0 tp10 -71.79 -68.24 0.47 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.385 1.053 . . . . 64.25 110.306 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 4.4 p -47.48 -24.6 0.86 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 73.4 110.006 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.401 ' N ' ' C ' ' A' ' 17' ' ' GLU . 6.1 mm-40 -63.28 -42.86 99.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 72.31 110.28 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 24.5 mtp180 -77.49 -36.11 52.99 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.509 1.13 . . . . 74.03 110.257 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 19.3 mt -60.62 -18.5 17.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.55 1.156 . . . . 70.13 109.285 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -74.36 -26.08 59.91 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.559 1.162 . . . . 53.32 109.331 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 63.1 t0 -94.97 -37.07 11.32 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.455 1.097 . . . . 74.04 109.27 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.543 ' HB3' ' CE2' ' A' ' 25' ' ' PHE . 6.8 mtp180 -68.31 -50.69 51.77 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.564 1.165 . . . . 72.2 110.312 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.543 ' CE2' ' HB3' ' A' ' 24' ' ' ARG . 3.2 m-85 -140.02 91.26 10.29 Favored Pre-proline 0 C--N 1.324 -0.528 0 O-C-N 124.598 1.186 . . . . 64.32 111.002 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 -29.61 8.14 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.485 1.782 . . . . 74.2 111.048 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.621 HD22 ' N ' ' A' ' 27' ' ' ASN . 0.9 OUTLIER -91.14 40.03 1.01 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 72.44 109.214 -179.959 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.404 ' HD3' ' HA ' ' A' ' 52' ' ' PRO . 12.5 mmt85 -125.25 171.26 10.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 75.13 110.32 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.544 HD12 ' HA ' ' A' ' 92' ' ' SER . 20.3 mm -138.55 96.73 9.55 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 73.21 109.276 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.564 ' HD2' ' CE2' ' A' ' 95' ' ' TYR . 18.1 Cg_endo -75.07 121.08 6.33 Favored 'Trans proline' 0 C--N 1.359 1.099 0 O-C-N 124.464 1.77 . . . . 64.02 110.965 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.511 HG13 HG22 ' A' ' 51' ' ' VAL . 0.9 OUTLIER -132.74 173.92 14.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.584 1.177 . . . . 75.34 109.251 -179.966 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.593 HG22 ' HB2' ' A' ' 47' ' ' ARG . 6.1 mm -136.1 98.5 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.467 1.105 . . . . 65.24 109.282 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.62 ' HA ' HG13 ' A' ' 107' ' ' VAL . 2.0 t -85.41 122.48 29.63 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.573 1.17 . . . . 43.2 108.266 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.442 ' OE2' HG22 ' A' ' 44' ' ' ILE . 7.7 tp10 -134.23 159.22 41.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.555 1.159 . . . . 74.13 110.238 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.567 ' HG2' ' CE2' ' A' ' 109' ' ' TYR . 0.1 OUTLIER -99.59 124.26 44.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.12 . . . . 74.11 109.293 -179.92 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.412 ' N ' ' HD2' ' A' ' 35' ' ' LYS . . . -55.35 176.78 0.05 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.562 1.163 . . . . 61.54 109.283 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.455 ' CG ' ' N ' ' A' ' 38' ' ' LYS . 11.9 pt-20 -96.3 -51.07 4.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.626 1.204 . . . . 72.1 110.31 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.455 ' N ' ' CG ' ' A' ' 37' ' ' GLU . 12.0 mmmt -47.74 -48.48 29.81 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.478 1.111 . . . . 70.13 109.245 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.413 ' HB3' ' NZ ' ' A' ' 35' ' ' LYS . 0.3 OUTLIER -39.74 158.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 61.22 110.035 -179.994 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -114.25 2.65 14.87 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.4 1.063 . . . . 65.12 109.299 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.626 HD11 ' CE2' ' A' ' 109' ' ' TYR . 0.1 OUTLIER -77.27 166.77 41.89 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.547 1.155 . . . . 75.43 109.293 -179.959 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . 0.416 ' O ' HG21 ' A' ' 68' ' ' ILE . 18.3 Cg_endo -75.06 120.3 5.99 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.52 1.8 . . . . 64.4 111.004 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -58.39 141.64 50.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.144 . . . . 74.43 110.23 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.762 HD11 ' OH ' ' A' ' 49' ' ' TYR . 4.6 tt -60.61 173.83 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.132 . . . . 73.53 109.356 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -77.77 -35.35 51.72 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.441 1.088 . . . . 74.13 109.321 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.433 ' HA ' ' OG1' ' A' ' 4' ' ' THR . 0.0 OUTLIER -163.48 169.55 18.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.142 . . . . 72.31 109.287 179.965 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.593 ' HB2' HG22 ' A' ' 32' ' ' ILE . 3.5 ptm180 -113.94 94.98 5.08 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.44 1.087 . . . . 73.31 110.308 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.556 ' HB2' ' CD2' ' A' ' 5' ' ' PHE . 15.2 tptp -166.64 108.93 0.71 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.573 1.171 . . . . 65.41 109.185 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.762 ' OH ' HD11 ' A' ' 44' ' ' ILE . 30.9 m-85 -140.13 121.72 15.22 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.115 . . . . 72.34 110.927 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 6.8 tp -105.55 77.33 1.27 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.12 . . . . 74.33 109.34 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.745 HG12 ' HA ' ' B' ' 630' ' ' ALA . 19.7 m -75.33 150.07 84.78 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.573 1.171 . . . . 63.4 109.308 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . 0.404 ' HA ' ' HD3' ' A' ' 28' ' ' ARG . 18.2 Cg_endo -75.0 -177.6 3.58 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.453 1.765 . . . . 72.44 110.963 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -94.63 18.8 10.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 72.45 109.304 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -119.59 -39.0 2.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.545 1.153 . . . . 72.41 109.31 179.897 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.863 HD13 ' N ' ' A' ' 56' ' ' THR . 1.2 tm? -52.93 164.52 0.38 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 73.35 109.316 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.863 ' N ' HD13 ' A' ' 55' ' ' LEU . 0.2 OUTLIER -133.13 179.2 6.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.427 1.079 . . . . 33.54 110.434 179.973 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 2.8 t -67.33 -59.58 3.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 60.44 109.279 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -55.28 -16.94 10.3 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.59 1.181 . . . . 73.23 111.001 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . 0.553 ' HB3' HD21 ' A' ' 55' ' ' LEU . 37.7 mt-30 -99.15 -29.47 12.83 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.58 0.812 . . . . 74.53 110.363 179.883 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.572 ' HE2' HG11 ' A' ' 107' ' ' VAL . 14.0 t80 -69.57 -38.37 77.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.146 . . . . 73.03 110.956 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.596 HG22 ' CG1' ' A' ' 78' ' ' ILE . 84.6 t -56.75 -44.31 81.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.529 1.143 . . . . 73.01 109.302 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.571 ' CD1' ' O ' ' A' ' 62' ' ' TYR . 0.0 OUTLIER -47.33 -26.19 1.2 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.513 1.133 . . . . 74.54 111.001 180.0 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.96 HG21 ' C ' ' B' ' 630' ' ' ALA . 78.2 t -82.98 -43.28 18.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 65.32 109.358 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.516 HG21 ' CG ' ' A' ' 109' ' ' TYR . 11.6 mm -63.92 -30.37 49.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.444 1.09 . . . . 74.05 109.363 179.89 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 8.9 tpp85 -80.87 -3.12 50.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.145 . . . . 63.25 110.269 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 2.2 mttm -91.18 -52.34 4.87 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.132 . . . . 71.45 109.304 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . 0.401 ' HG3' ' OH ' ' A' ' 49' ' ' TYR . 5.1 mmp_? -47.78 -70.48 0.09 Allowed 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.529 1.143 . . . . 74.15 110.264 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.49 ' O ' ' CG ' ' A' ' 69' ' ' MET . 4.9 pt -69.92 -7.83 9.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.433 1.083 . . . . 74.21 109.244 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . 0.49 ' CG ' ' O ' ' A' ' 68' ' ' ILE . 3.0 ptt? 43.31 40.41 2.55 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.475 1.109 . . . . 64.34 110.955 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.504 HD12 ' HA ' ' A' ' 70' ' ' LEU . 4.7 tp -50.96 140.73 20.08 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.546 1.154 . . . . 62.43 109.257 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 171.15 18.88 Favored 'Trans proline' 0 C--N 1.362 1.271 0 O-C-N 124.474 1.776 . . . . 75.31 110.983 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -75.03 0.26 9.14 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.5 1.79 . . . . 73.31 110.94 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -94.65 8.38 42.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.154 . . . . 75.11 110.3 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -130.6 -179.19 5.14 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.515 1.134 . . . . 74.24 109.301 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -140.02 163.08 33.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 54.01 109.307 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.703 HD11 ' CD2' ' A' ' 109' ' ' TYR . 2.3 tt -150.69 137.12 12.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.427 1.079 . . . . 71.13 109.276 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 79.9 m-85 -136.79 139.47 41.81 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.435 1.084 . . . . 70.23 110.95 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.6 ' CG2' ' CG2' ' A' ' 107' ' ' VAL . 5.7 mm -84.62 155.26 3.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.534 1.146 . . . . 70.04 109.292 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . 0.401 ' CZ ' ' CD1' ' A' ' 84' ' ' LEU . 5.7 m-85 -145.72 128.27 16.06 Favored 'General case' 0 C--N 1.323 -0.569 0 O-C-N 124.58 1.175 . . . . 63.12 111.065 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.751 ' O ' HG22 ' A' ' 83' ' ' THR . 2.4 t -131.78 105.4 9.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.123 . . . . 75.21 109.401 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . 0.541 ' ND2' ' CE1' ' A' ' 98' ' ' HIS . 2.7 m-80 72.32 24.22 3.08 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.12 . . . . 74.42 109.292 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . 0.461 ' CB ' ' O ' ' A' ' 81' ' ' ASN . 4.3 m-20 78.85 18.09 0.92 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 75.13 109.349 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . 0.751 HG22 ' O ' ' A' ' 80' ' ' VAL . 1.0 OUTLIER -120.25 143.16 48.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 74.25 110.419 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.401 ' CD1' ' CZ ' ' A' ' 79' ' ' PHE . 0.2 OUTLIER -100.56 108.46 53.41 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.455 1.097 . . . . 64.22 109.315 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.13 162.25 37.09 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.493 1.786 . . . . 73.14 110.946 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . 0.741 ' HD2' ' HB2' ' A' ' 89' ' ' ALA . 18.4 Cg_endo -74.95 -163.83 0.2 Allowed 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.483 1.781 . . . . 70.44 110.996 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 3.7 p -96.7 -31.75 12.53 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.522 1.139 . . . . 62.41 110.41 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -86.03 10.39 14.35 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.528 1.142 . . . . 71.44 109.372 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 1.03 ' HB1' HD11 ' A' ' 94' ' ' ILE . . . -75.89 60.73 1.39 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.528 1.142 . . . . 73.43 109.238 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.507 ' C ' ' O ' ' A' ' 89' ' ' ALA . 0.4 OUTLIER -31.74 117.37 0.2 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 71.21 109.308 179.869 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' MET . . . . . 0.425 ' C ' ' O ' ' A' ' 90' ' ' LEU . 55.9 mmm -36.06 -32.02 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.398 1.061 . . . . 71.21 110.989 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . 0.544 ' HA ' HD12 ' A' ' 29' ' ' ILE . 6.0 p -62.61 -54.95 31.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 61.22 110.016 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . 0.438 ' N ' ' O ' ' A' ' 90' ' ' LEU . . . -66.17 -10.95 46.19 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.605 1.191 . . . . 70.44 109.298 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 1.03 HD11 ' HB1' ' A' ' 89' ' ' ALA . 30.5 mm -90.92 -39.09 11.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 O-C-N 124.505 1.128 . . . . 61.53 109.323 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' TYR . . . . . 0.762 ' CD2' HD23 ' A' ' 105' ' ' LEU . 9.6 t80 -79.91 -5.99 56.62 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.629 1.205 . . . . 52.14 111.021 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . 0.436 ' O ' ' CG ' ' A' ' 96' ' ' GLN . 3.3 tp-100 -100.25 -10.53 21.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.14 . . . . 73.33 110.343 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -120.27 -8.27 9.69 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.469 1.106 . . . . 70.13 110.319 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . 0.629 ' HB2' HD11 ' A' ' 105' ' ' LEU . 29.0 m-70 -126.36 16.21 7.71 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.563 1.164 . . . . 62.03 109.639 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.506 ' HB3' ' O ' ' A' ' 95' ' ' TYR . 0.1 OUTLIER -58.37 153.41 15.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.603 1.189 . . . . 60.42 109.302 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -120.29 177.02 5.18 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.46 1.1 . . . . 64.51 109.308 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 19.3 mtpt -61.79 -27.74 68.97 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.414 1.071 . . . . 74.24 109.357 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . 0.436 ' HB3' ' CE2' ' A' ' 11' ' ' PHE . 0.6 OUTLIER -89.67 -14.01 35.73 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 52.35 109.376 179.971 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . 0.544 ' O ' ' CZ ' ' A' ' 95' ' ' TYR . . . 91.18 -38.33 3.23 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.5 1.125 . . . . 42.14 111.095 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . 0.509 ' CD1' ' HB2' ' A' ' 30' ' ' PRO . 10.1 m-85 -57.89 135.25 56.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.458 0.74 . . . . 73.23 110.967 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.762 HD23 ' CD2' ' A' ' 95' ' ' TYR . 0.3 OUTLIER -82.0 145.91 30.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.102 . . . . 74.42 109.343 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . 0.469 ' CZ ' ' NH2' ' A' ' 14' ' ' ARG . 68.7 m-85 -121.4 92.39 3.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.105 . . . . 64.4 110.986 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . 0.62 HG13 ' HA ' ' A' ' 33' ' ' CYS . 12.8 p -103.56 167.54 2.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.15 . . . . 71.32 109.351 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . 0.471 ' N ' HG22 ' A' ' 107' ' ' VAL . 0.2 OUTLIER -150.17 153.74 36.83 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.393 1.058 . . . . 74.21 110.432 179.964 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' TYR . . . . . 0.703 ' CD2' HD11 ' A' ' 76' ' ' ILE . 32.0 p90 -132.94 136.18 45.97 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.49 1.119 . . . . 63.54 110.993 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 45.8 t -137.26 153.73 50.28 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.49 1.119 . . . . 73.5 109.986 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -79.11 3.48 65.68 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.488 1.117 . . . . 54.34 111.022 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -123.99 131.66 53.59 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.553 0.796 . . . . 65.25 110.349 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 12.1 t-20 . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.572 1.17 . . . . 71.13 109.467 179.869 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 629' ' ' ILE . . . . . 0.489 ' C ' HD12 ' B' ' 629' ' ' ILE . 0.7 OUTLIER . . . . . 0 N--CA 1.454 -0.264 0 N-CA-C 109.285 -0.635 . . . . 61.41 109.285 . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 630' ' ' ALA . . . . . 0.96 ' C ' HG21 ' A' ' 63' ' ' VAL . . . . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.567 1.167 . . . . 73.25 109.384 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.835 HG23 HH21 ' A' ' 47' ' ' ARG . 70.8 p . . . . . 0 N--CA 1.452 -0.35 0 N-CA-C 110.468 -0.197 . . . . 74.44 110.468 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . 0.621 ' CZ ' ' OH ' ' A' ' 9' ' ' TYR . 1.6 t80 -49.21 -28.65 4.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 75.11 110.99 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.524 ' HD3' HG21 ' A' ' 32' ' ' ILE . 21.6 mtmm -93.68 -23.59 18.18 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.556 1.16 . . . . 72.11 109.318 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . 0.411 ' N ' ' O ' ' A' ' 4' ' ' THR . 0.3 OUTLIER -76.36 -12.56 60.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.142 . . . . 63.35 109.992 179.984 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . 0.612 ' HB3' ' CD1' ' A' ' 9' ' ' TYR . 0.0 OUTLIER -73.4 -50.47 21.67 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.563 1.164 . . . . 75.05 110.252 -179.929 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . 0.621 ' OH ' ' CZ ' ' A' ' 5' ' ' PHE . 0.2 OUTLIER -125.52 169.52 11.17 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 62.13 110.951 -179.928 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 175.91 10.6 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.586 1.835 . . . . 44.44 110.96 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.564 ' CE2' ' HB3' ' A' ' 102' ' ' ASP . 1.7 t80 -63.38 -43.98 96.04 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.526 1.141 . . . . 73.12 111.025 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 20.2 mt-10 -49.46 -22.64 1.25 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.489 1.118 . . . . 72.25 110.297 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.89 -36.29 36.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 72.31 109.315 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 1.055 HH21 HD11 ' A' ' 32' ' ' ILE . 0.1 OUTLIER -71.1 -54.77 9.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.144 . . . . 72.4 110.274 -179.931 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.419 ' HD3' ' CE1' ' A' ' 11' ' ' PHE . 16.8 pttt -53.4 -42.47 67.01 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.554 1.158 . . . . 63.02 109.359 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.407 ' N ' ' HG2' ' A' ' 15' ' ' LYS . . . -61.67 -35.34 77.68 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.538 1.149 . . . . 52.13 109.322 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.447 ' OE1' ' NH1' ' A' ' 14' ' ' ARG . 26.2 tt0 -68.21 -54.29 18.8 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.46 1.1 . . . . 64.25 110.318 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.416 ' HB3' ' CE2' ' A' ' 104' ' ' PHE . 11.2 p -59.41 -16.11 21.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 73.4 109.969 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 16.4 mm-40 -79.78 -23.92 41.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.421 1.076 . . . . 72.31 110.277 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.415 ' HG3' ' N ' ' A' ' 21' ' ' ILE . 11.4 ptt180 -101.75 -23.87 14.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 74.03 110.288 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.433 HD11 ' OE2' ' A' ' 17' ' ' GLU . 5.5 mt -63.71 -18.04 21.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.555 1.159 . . . . 70.13 109.327 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -74.89 -15.21 60.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.112 . . . . 53.32 109.319 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -105.79 -24.94 12.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.551 1.157 . . . . 74.04 109.276 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.542 ' HB3' ' CE2' ' A' ' 25' ' ' PHE . 30.1 mmm-85 -83.6 -52.58 6.34 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.556 1.16 . . . . 72.2 110.304 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.542 ' CE2' ' HB3' ' A' ' 24' ' ' ARG . 12.0 m-85 -145.34 86.06 7.69 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.149 . . . . 64.32 111.006 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.86 -26.67 11.0 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.457 1.767 . . . . 74.2 110.996 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 84.5 m-20 -92.33 41.58 1.08 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.132 . . . . 72.44 109.288 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.483 ' O ' HD13 ' A' ' 29' ' ' ILE . 1.7 mmt85 -131.22 -178.11 4.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.543 1.152 . . . . 75.13 110.304 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.483 HD13 ' O ' ' A' ' 28' ' ' ARG . 21.3 mm -141.81 102.1 5.88 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 73.21 109.272 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.593 ' HD2' ' CE2' ' A' ' 95' ' ' TYR . 18.3 Cg_endo -75.0 126.3 9.88 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.639 1.863 . . . . 64.02 110.985 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.895 ' O ' HD13 ' A' ' 32' ' ' ILE . 0.8 OUTLIER -141.42 173.37 8.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.574 1.171 . . . . 75.34 109.349 179.897 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 1.055 HD11 HH21 ' A' ' 14' ' ' ARG . 4.5 mm -142.16 111.68 2.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.576 1.173 . . . . 65.24 109.264 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.534 ' HA ' HG13 ' A' ' 107' ' ' VAL . 1.0 OUTLIER -82.44 129.59 34.93 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.534 1.146 . . . . 43.2 108.227 -179.96 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.75 ' HB3' HG23 ' A' ' 108' ' ' THR . 0.3 OUTLIER -124.82 149.64 47.23 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.485 1.116 . . . . 74.13 110.309 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.449 ' NZ ' ' O ' ' A' ' 39' ' ' SER . 7.9 tptt -91.34 124.4 35.51 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.518 1.136 . . . . 74.11 109.387 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.465 ' CB ' ' HB3' ' A' ' 110' ' ' SER . . . -59.38 169.48 1.21 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.449 1.093 . . . . 61.54 109.288 -179.907 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.44 ' CG ' ' N ' ' A' ' 38' ' ' LYS . 11.8 pt-20 -96.93 -48.88 5.25 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.435 1.085 . . . . 72.1 110.39 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.44 ' N ' ' CG ' ' A' ' 37' ' ' GLU . 0.1 OUTLIER -53.16 -46.82 69.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.142 . . . . 70.13 109.254 179.963 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.449 ' O ' ' NZ ' ' A' ' 35' ' ' LYS . 0.3 OUTLIER -59.5 158.98 8.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.575 1.172 . . . . 61.22 110.019 -179.968 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -122.93 34.29 5.18 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.47 1.106 . . . . 65.12 109.33 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.619 HD11 ' CE2' ' A' ' 109' ' ' TYR . 0.0 OUTLIER -83.54 167.38 28.94 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.5 1.125 . . . . 75.43 109.273 -179.979 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . 0.59 ' O ' HG21 ' A' ' 68' ' ' ILE . 18.5 Cg_endo -74.95 115.0 4.16 Favored 'Trans proline' 0 C--N 1.358 1.064 0 O-C-N 124.465 1.771 . . . . 64.4 110.957 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -56.27 140.85 43.48 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.452 1.095 . . . . 74.43 110.271 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.628 HD11 ' HG3' ' A' ' 67' ' ' ARG . 12.2 tt -68.36 158.54 5.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 73.53 109.305 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 32.8 m-20 -61.06 -46.36 91.01 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.54 1.15 . . . . 74.13 109.293 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.403 ' HD2' ' O ' ' A' ' 46' ' ' LYS . 0.0 OUTLIER -147.83 167.75 23.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 72.31 109.372 179.911 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.835 HH21 HG23 ' A' ' 4' ' ' THR . 2.7 ptp180 -116.64 93.85 4.37 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.536 1.147 . . . . 73.31 110.248 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.562 ' HB2' ' CD2' ' A' ' 5' ' ' PHE . 12.8 tptp -166.23 93.48 0.52 Allowed 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.56 1.163 . . . . 65.41 109.188 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.678 ' HE2' HG12 ' A' ' 63' ' ' VAL . 20.2 m-85 -116.84 124.31 49.22 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.514 1.134 . . . . 72.34 110.997 179.904 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.417 HD13 ' HA ' ' A' ' 50' ' ' LEU . 0.0 OUTLIER -109.4 76.88 1.02 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 74.33 109.204 -179.909 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.924 HG21 ' SD ' ' A' ' 91' ' ' MET . 5.7 m -76.64 145.49 75.16 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.494 1.121 . . . . 63.4 109.262 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.9 -177.66 3.6 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.538 1.809 . . . . 72.44 111.027 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -92.02 18.7 7.59 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.513 1.133 . . . . 72.45 109.262 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.79 ' O ' HD11 ' A' ' 90' ' ' LEU . 21.9 t0 -118.89 -37.8 3.18 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.461 1.101 . . . . 72.41 109.29 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 1.038 HD23 ' HB1' ' B' ' 630' ' ' ALA . 0.0 OUTLIER -59.98 132.13 53.0 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.46 1.1 . . . . 73.35 109.242 -179.949 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.603 ' N ' HD12 ' A' ' 55' ' ' LEU . 9.1 p -92.79 -161.39 0.83 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.152 . . . . 33.54 110.387 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 2.9 t -86.76 -59.46 2.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 60.44 109.314 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -59.63 -13.91 26.33 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.478 1.111 . . . . 73.23 110.964 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . 0.504 ' CB ' ' CD1' ' A' ' 55' ' ' LEU . 31.7 mt-30 -97.07 -27.39 14.61 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.485 0.756 . . . . 74.53 110.302 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.687 ' CD1' HG11 ' A' ' 51' ' ' VAL . 68.4 t80 -70.18 -41.03 74.28 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.44 1.087 . . . . 73.03 111.053 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.663 HG13 ' CG2' ' A' ' 76' ' ' ILE . 65.7 t -48.73 -47.23 15.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 O-C-N 124.571 1.17 . . . . 73.01 109.31 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.509 ' C ' ' CD1' ' A' ' 62' ' ' TYR . 0.1 OUTLIER -44.19 -33.71 1.62 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.531 1.145 . . . . 74.54 110.923 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.995 HG21 ' C ' ' B' ' 630' ' ' ALA . 88.9 t -73.83 -40.25 53.1 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 O-C-N 124.541 1.15 . . . . 65.32 109.286 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.559 HD11 ' CZ ' ' A' ' 60' ' ' PHE . 14.2 mm -67.31 -31.85 54.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.553 1.158 . . . . 74.05 109.322 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 5.5 tpp85 -80.43 -3.49 50.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 63.25 110.277 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -89.9 -50.83 5.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.152 . . . . 71.45 109.31 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . 0.628 ' HG3' HD11 ' A' ' 44' ' ' ILE . 6.9 mmp_? -50.41 -65.68 0.52 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.449 1.093 . . . . 74.15 110.288 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.59 HG21 ' O ' ' A' ' 42' ' ' PRO . 5.6 pt -75.06 -3.3 4.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 74.21 109.215 -179.907 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . 0.492 ' CG ' ' O ' ' A' ' 68' ' ' ILE . 10.6 ptp 43.47 38.41 1.79 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.434 1.083 . . . . 64.34 111.018 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.522 HD12 ' HA ' ' A' ' 70' ' ' LEU . 5.1 tp -50.97 140.97 19.63 Favored Pre-proline 0 C--N 1.324 -0.526 0 O-C-N 124.513 1.133 . . . . 62.43 109.265 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' ' 70' ' ' LEU . 18.0 Cg_endo -75.11 169.49 22.46 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.527 1.804 . . . . 75.31 111.005 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 -0.05 9.48 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.553 1.817 . . . . 73.31 111.054 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -91.69 -19.39 22.69 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.465 1.103 . . . . 75.11 110.246 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.498 ' NZ ' HD11 ' A' ' 70' ' ' LEU . 1.2 mttp -99.27 -178.96 4.08 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.627 1.204 . . . . 74.24 109.316 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -138.44 163.54 31.66 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.146 . . . . 54.01 109.337 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.663 ' CG2' HG13 ' A' ' 61' ' ' VAL . 1.6 tt -156.84 115.21 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.423 1.077 . . . . 71.13 109.342 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 77.1 m-85 -114.22 141.81 47.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.541 1.151 . . . . 70.23 110.991 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.601 ' CG1' HG22 ' A' ' 61' ' ' VAL . 2.5 mm -84.88 156.86 3.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.446 1.091 . . . . 70.04 109.33 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -149.34 128.51 12.81 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.102 . . . . 63.12 111.044 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.568 ' O ' HG22 ' A' ' 83' ' ' THR . 2.6 t -133.13 119.62 36.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.476 1.11 . . . . 75.21 109.322 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . 0.492 ' ND2' HG12 ' A' ' 80' ' ' VAL . 2.4 m-80 62.4 20.32 11.77 Favored 'General case' 0 C--N 1.327 -0.408 0 O-C-N 124.503 1.127 . . . . 74.42 109.324 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . 0.481 ' CB ' ' O ' ' A' ' 81' ' ' ASN . 4.3 t70 80.48 23.18 0.39 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 75.13 109.245 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . 0.568 HG22 ' O ' ' A' ' 80' ' ' VAL . 0.7 OUTLIER -130.97 137.23 49.15 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.534 1.146 . . . . 74.25 110.436 179.944 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.493 ' CD1' ' O ' ' A' ' 78' ' ' ILE . 0.2 OUTLIER -91.58 112.42 54.29 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.55 1.157 . . . . 64.22 109.332 -179.989 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.09 162.6 36.64 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.432 1.754 . . . . 73.14 110.943 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . 0.748 ' HD2' ' HB2' ' A' ' 89' ' ' ALA . 18.5 Cg_endo -74.9 -176.68 2.98 Favored 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.544 1.813 . . . . 70.44 111.1 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 2.2 p -84.52 -32.41 23.92 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.464 1.103 . . . . 62.41 110.381 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -85.02 9.87 13.46 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.47 1.106 . . . . 71.44 109.322 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 1.053 ' HB1' HD11 ' A' ' 94' ' ' ILE . . . -76.0 60.66 1.43 Allowed 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.484 1.115 . . . . 73.43 109.28 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.79 HD11 ' O ' ' A' ' 54' ' ' ASP . 0.0 OUTLIER -30.41 118.66 0.17 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 71.21 109.306 180.0 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' MET . . . . . 0.924 ' SD ' HG21 ' A' ' 51' ' ' VAL . 0.3 OUTLIER -39.45 -27.95 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 71.21 110.999 -179.979 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . 0.449 ' N ' ' O ' ' A' ' 90' ' ' LEU . 2.8 t -67.42 -57.05 7.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 61.22 110.03 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -62.75 -13.22 30.19 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.54 1.15 . . . . 70.44 109.302 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 1.053 HD11 ' HB1' ' A' ' 89' ' ' ALA . 34.9 mm -87.61 -42.35 15.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.447 1.092 . . . . 61.53 109.298 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' TYR . . . . . 0.855 ' CD2' HD23 ' A' ' 105' ' ' LEU . 10.0 t80 -77.41 -5.19 48.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 52.14 110.959 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . 0.455 ' O ' ' CG ' ' A' ' 96' ' ' GLN . 1.7 tt0 -102.47 -9.94 19.81 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.536 1.148 . . . . 73.33 110.299 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -120.44 -7.26 9.74 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.557 1.161 . . . . 70.13 110.382 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . 0.478 ' CE1' ' ND2' ' A' ' 81' ' ' ASN . 28.7 m-70 -128.76 17.56 6.29 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.486 1.116 . . . . 62.03 109.613 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.488 ' HB3' ' O ' ' A' ' 95' ' ' TYR . 0.1 OUTLIER -59.74 155.77 15.29 Favored 'General case' 0 C--N 1.326 -0.413 0 O-C-N 124.453 1.096 . . . . 60.42 109.248 -179.946 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -128.53 177.05 7.28 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.409 1.068 . . . . 64.51 109.29 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 24.1 mtmm -57.16 -49.63 75.37 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 74.24 109.354 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . 0.564 ' HB3' ' CE2' ' A' ' 11' ' ' PHE . 0.2 OUTLIER -62.34 -14.42 39.44 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.456 1.097 . . . . 52.35 109.249 179.985 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . 0.403 ' O ' ' CZ ' ' A' ' 95' ' ' TYR . . . 87.25 -39.25 3.11 Favored Glycine 0 CA--C 1.532 1.109 0 O-C-N 124.514 1.134 . . . . 42.14 110.98 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . 0.677 ' CE1' ' NH2' ' A' ' 14' ' ' ARG . 23.8 m-85 -62.23 145.82 52.54 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.564 0.802 . . . . 73.23 110.942 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.855 HD23 ' CD2' ' A' ' 95' ' ' TYR . 0.2 OUTLIER -84.62 147.13 27.13 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.407 1.067 . . . . 74.42 109.271 -179.958 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 50.4 m-85 -121.94 91.9 3.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 64.4 111.015 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . 0.553 HG22 ' N ' ' A' ' 108' ' ' THR . 8.1 p -98.59 169.72 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.521 1.138 . . . . 71.32 109.345 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . 0.75 HG23 ' HB3' ' A' ' 34' ' ' GLU . 0.2 OUTLIER -148.18 134.95 19.98 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.428 1.08 . . . . 74.21 110.4 -179.905 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' TYR . . . . . 0.619 ' CE2' HD11 ' A' ' 41' ' ' ILE . 27.8 p90 -119.8 129.74 54.59 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.586 1.179 . . . . 63.54 110.991 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . 0.465 ' HB3' ' CB ' ' A' ' 36' ' ' ALA . 25.4 p -128.89 142.21 51.03 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.483 1.114 . . . . 73.5 110.024 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' GLY . . . . . 0.438 ' N ' HG21 ' A' ' 41' ' ' ILE . . . -63.81 -11.6 44.12 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.511 1.132 . . . . 54.34 110.998 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 20.6 pt-20 -111.54 161.88 15.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 0.766 . . . . 65.25 110.303 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 16.3 t-20 . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.132 . . . . 71.13 109.292 -179.983 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 629' ' ' ILE . . . . . . . . . . . . . 1.1 pp . . . . . 0 N--CA 1.454 -0.262 0 N-CA-C 109.327 -0.62 . . . . 61.41 109.327 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 630' ' ' ALA . . . . . 1.038 ' HB1' HD23 ' A' ' 55' ' ' LEU . . . . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 73.25 109.268 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 0' ' ' HIS . . . . . . . . . . . . . 48.3 p-80 . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 109.553 -0.536 . . . . 72.51 109.553 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.2 ptm -70.19 -168.99 0.25 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 71.22 111.041 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.92 -54.89 1.5 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 64.1 109.272 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 43.9 t -88.2 150.58 23.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.549 1.155 . . . . 61.21 110.002 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.2 p -129.65 -80.23 0.56 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.493 1.121 . . . . 74.44 110.455 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.666 ' CE2' ' CD2' ' B' ' 614' ' ' LEU . 8.6 t80 -59.4 -22.85 62.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 75.11 111.047 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 8.6 tmtt? -100.63 -11.88 19.66 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 72.11 109.283 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 16.5 t -88.81 -31.36 18.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.444 1.09 . . . . 63.35 110.01 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.542 ' HB3' ' CD1' ' A' ' 9' ' ' TYR . 51.5 tt0 -45.46 -49.39 13.5 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.444 1.09 . . . . 75.05 110.342 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.617 ' OH ' ' CE1' ' A' ' 5' ' ' PHE . 0.2 OUTLIER -122.47 168.99 10.45 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.11 . . . . 62.13 110.971 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -179.52 5.07 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.443 1.76 . . . . 44.44 110.952 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.486 ' CE2' ' HB3' ' A' ' 102' ' ' ASP . 5.3 t80 -65.14 -54.16 33.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 73.12 110.987 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -43.96 -26.51 0.28 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.474 1.109 . . . . 72.25 110.266 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.404 ' HB2' ' NZ ' ' A' ' 13' ' ' LYS . 0.0 OUTLIER -70.72 -46.23 63.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 72.31 109.28 -179.955 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.721 ' NH1' HD11 ' A' ' 32' ' ' ILE . 0.0 OUTLIER -63.0 -56.99 12.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.151 . . . . 72.4 110.309 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 2.1 pttt -47.83 -39.98 19.97 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.47 1.106 . . . . 63.02 109.282 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -67.89 -33.9 75.61 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.532 1.145 . . . . 52.13 109.308 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.534 ' OE1' HG21 ' B' ' 618' ' ' VAL . 19.0 tp10 -67.16 -49.48 64.6 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.12 . . . . 64.25 110.334 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 81.1 p -63.38 -23.72 67.53 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.109 . . . . 73.4 109.998 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -67.99 -22.96 64.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.435 1.085 . . . . 72.31 110.268 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 37.9 mtp180 -100.94 -36.73 8.93 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.472 1.107 . . . . 74.03 110.374 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.553 HD12 ' HZ ' ' A' ' 104' ' ' PHE . 7.9 mt -61.04 -17.31 15.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.576 1.172 . . . . 70.13 109.32 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -79.06 -23.0 44.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 53.32 109.338 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -101.11 -5.52 25.58 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.443 1.09 . . . . 74.04 109.227 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.571 ' HB3' ' CD2' ' A' ' 25' ' ' PHE . 11.3 mtp180 -101.93 -59.01 1.77 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 72.2 110.3 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.571 ' CD2' ' HB3' ' A' ' 24' ' ' ARG . 46.7 m-85 -131.98 89.88 37.13 Favored Pre-proline 0 C--N 1.324 -0.527 0 O-C-N 124.506 1.129 . . . . 64.32 111.014 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -27.59 9.84 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.462 1.769 . . . . 74.2 111.008 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 92.3 m-20 -93.53 41.27 1.08 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 72.44 109.311 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.453 ' CG ' ' HB3' ' A' ' 25' ' ' PHE . 1.5 mmt-85 -128.76 169.27 14.72 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.509 1.131 . . . . 75.13 110.293 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.522 HG23 ' CB ' ' A' ' 95' ' ' TYR . 34.5 mm -134.48 96.48 15.27 Favored Pre-proline 0 C--N 1.324 -0.543 0 O-C-N 124.497 1.123 . . . . 73.21 109.357 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.594 ' HD2' ' CE2' ' A' ' 95' ' ' TYR . 18.3 Cg_endo -74.96 122.98 7.57 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.485 1.781 . . . . 64.02 110.968 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.468 HG13 HG22 ' A' ' 51' ' ' VAL . 0.8 OUTLIER -137.36 173.47 13.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.457 1.098 . . . . 75.34 109.358 179.962 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.721 HD11 ' NH1' ' A' ' 14' ' ' ARG . 7.5 mm -137.28 108.78 6.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.569 1.168 . . . . 65.24 109.312 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.551 ' HA ' HG13 ' A' ' 107' ' ' VAL . 2.7 t -78.81 133.19 37.07 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.561 1.163 . . . . 43.2 108.262 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.944 ' HB3' HG23 ' A' ' 108' ' ' THR . 4.9 tm-20 -138.23 161.46 36.82 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 74.13 110.37 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.566 ' HZ3' ' CA ' ' A' ' 43' ' ' GLU . 0.0 OUTLIER -115.96 127.75 55.21 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.436 1.085 . . . . 74.11 109.276 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -59.58 156.11 14.12 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.558 1.161 . . . . 61.54 109.376 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.423 ' CG ' ' N ' ' A' ' 38' ' ' LYS . 12.6 pt-20 -77.38 -48.56 16.97 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.134 . . . . 72.1 110.312 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.423 ' N ' ' CG ' ' A' ' 37' ' ' GLU . 33.1 mttp -53.11 -40.18 63.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 70.13 109.312 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.4 ' O ' ' O ' ' A' ' 38' ' ' LYS . 6.5 t -41.18 161.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 61.22 109.992 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 71.5 m-20 -118.24 -4.74 10.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 65.12 109.311 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.548 HD11 ' CE2' ' A' ' 109' ' ' TYR . 0.1 OUTLIER -75.39 166.84 42.04 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.517 1.136 . . . . 75.43 109.23 -179.928 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 131.08 13.81 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.553 1.817 . . . . 64.4 111.032 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.566 ' CA ' ' HZ3' ' A' ' 35' ' ' LYS . 30.8 tt0 -69.45 146.98 51.55 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.516 1.135 . . . . 74.43 110.313 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.515 ' CD1' ' OH ' ' A' ' 49' ' ' TYR . 14.2 tt -64.4 171.54 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.577 1.173 . . . . 73.53 109.31 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -79.1 -41.12 29.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.537 1.148 . . . . 74.13 109.262 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.422 ' CD ' ' C ' ' A' ' 46' ' ' LYS . 0.0 OUTLIER -153.71 159.51 42.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 72.31 109.313 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.571 ' HB3' HG22 ' A' ' 32' ' ' ILE . 7.0 mtp180 -105.13 95.56 5.93 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.453 1.095 . . . . 73.31 110.289 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.528 ' HD3' ' CZ ' ' A' ' 5' ' ' PHE . 2.1 tptt -165.44 105.92 0.75 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.116 . . . . 65.41 109.274 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.613 ' HE2' HG12 ' A' ' 63' ' ' VAL . 15.4 m-85 -135.18 116.93 15.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 72.34 110.963 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.555 HD13 ' OD1' ' B' ' 624' ' ' ASP . 0.3 OUTLIER -104.08 77.88 1.47 Allowed 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.503 1.127 . . . . 74.33 109.296 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.664 HG11 ' HD1' ' A' ' 60' ' ' PHE . 14.0 m -77.8 150.7 78.92 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.591 1.182 . . . . 63.4 109.312 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.01 -179.46 5.01 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.492 1.785 . . . . 72.44 111.02 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -93.77 17.9 11.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.146 . . . . 72.45 109.392 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -118.81 -38.19 3.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.545 1.153 . . . . 72.41 109.276 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.427 ' HG ' ' CB ' ' A' ' 59' ' ' GLN . 1.1 tp -58.38 135.79 57.29 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.484 1.115 . . . . 73.35 109.297 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.515 HG23 HE21 ' A' ' 59' ' ' GLN . 1.2 p -93.75 -173.45 3.16 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.144 . . . . 33.54 110.347 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 2.4 t -72.69 -49.83 38.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.527 1.142 . . . . 60.44 109.29 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -65.25 -9.61 43.25 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.502 1.126 . . . . 73.23 111.001 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.515 HE21 HG23 ' A' ' 56' ' ' THR . 7.8 mt-30 -95.94 -26.55 15.54 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.458 0.74 . . . . 74.53 110.317 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.664 ' HD1' HG11 ' A' ' 51' ' ' VAL . 77.1 t80 -71.42 -50.22 34.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 73.03 111.002 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.746 HG22 ' CG1' ' A' ' 78' ' ' ILE . 59.7 t -40.57 -49.82 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 73.01 109.303 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -44.2 -44.12 7.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 74.54 111.042 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.748 HG21 ' HA ' ' B' ' 630' ' ' ALA . 57.1 t -61.76 -36.63 74.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.13 . . . . 65.32 109.298 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.61 ' N ' HD13 ' A' ' 64' ' ' ILE . 2.5 mm -71.61 -40.12 70.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.41 1.068 . . . . 74.05 109.301 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 5.5 tpp85 -70.59 -5.36 28.65 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.503 1.127 . . . . 63.25 110.339 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 3.0 mttm -90.81 -48.97 6.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 71.45 109.332 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.443 ' NE ' ' HA ' ' A' ' 67' ' ' ARG . 6.6 mmp_? -54.44 -65.16 0.62 Allowed 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.546 1.154 . . . . 74.15 110.237 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.494 ' O ' ' CG ' ' A' ' 69' ' ' MET . 6.5 pt -74.08 -4.09 5.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 74.21 109.312 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.494 ' CG ' ' O ' ' A' ' 68' ' ' ILE . 8.7 ptp 43.32 39.24 2.0 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 64.34 110.952 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.533 HD12 ' HA ' ' A' ' 70' ' ' LEU . 5.6 tp -54.11 140.62 52.41 Favored Pre-proline 0 C--N 1.324 -0.527 0 O-C-N 124.523 1.139 . . . . 62.43 109.3 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.421 ' HD3' ' HA ' ' A' ' 70' ' ' LEU . 18.3 Cg_endo -75.06 167.02 27.9 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.521 1.801 . . . . 75.31 111.002 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.91 0.7 8.54 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.474 1.776 . . . . 73.31 111.04 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -96.2 -1.19 48.79 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.476 1.11 . . . . 75.11 110.246 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -112.48 179.78 3.89 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.127 . . . . 74.24 109.35 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -134.51 154.62 51.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 54.01 109.303 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.685 HD11 ' CD2' ' A' ' 109' ' ' TYR . 1.1 tt -152.44 117.71 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.104 . . . . 71.13 109.283 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 63.9 m-85 -116.74 141.41 48.24 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 70.23 111.011 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.746 ' CG1' HG22 ' A' ' 61' ' ' VAL . 3.0 mm -85.04 157.22 3.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 70.04 109.266 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . 0.5 ' CZ ' ' O ' ' A' ' 114' ' ' THR . 5.0 m-85 -151.21 123.62 8.37 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.443 1.089 . . . . 63.12 110.953 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.728 ' O ' HG22 ' A' ' 83' ' ' THR . 2.0 t -126.57 105.95 14.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.445 1.091 . . . . 75.21 109.295 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . 0.54 ' ND2' ' CE1' ' A' ' 98' ' ' HIS . 3.1 m-80 71.36 21.6 4.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.453 1.095 . . . . 74.42 109.29 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . 0.496 ' CB ' ' O ' ' A' ' 81' ' ' ASN . 9.0 t0 81.92 21.88 0.29 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.562 1.164 . . . . 75.13 109.293 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.728 HG22 ' O ' ' A' ' 80' ' ' VAL . 1.1 t -124.58 141.31 52.19 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.456 1.098 . . . . 74.25 110.392 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.448 ' CD1' ' O ' ' A' ' 78' ' ' ILE . 0.2 OUTLIER -101.32 107.91 52.78 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.482 1.113 . . . . 64.22 109.27 -179.934 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 163.38 35.35 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.497 1.788 . . . . 73.14 110.992 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . 0.766 ' HG2' ' HB2' ' A' ' 89' ' ' ALA . 18.4 Cg_endo -74.98 -168.21 0.49 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.486 1.782 . . . . 70.44 111.044 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 2.6 p -96.43 -35.22 11.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 62.41 110.402 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -83.82 6.95 19.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 71.44 109.282 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 1.031 ' HB1' HD11 ' A' ' 94' ' ' ILE . . . -76.34 60.77 1.58 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.533 1.146 . . . . 73.43 109.233 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.601 ' C ' ' O ' ' A' ' 89' ' ' ALA . 0.4 OUTLIER -23.86 123.31 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.45 1.094 . . . . 71.21 109.235 179.923 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . 0.402 ' HE2' HG21 ' A' ' 51' ' ' VAL . 40.8 mmm -51.62 -20.22 1.9 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.521 1.138 . . . . 71.21 110.931 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 6.6 t -69.81 -45.63 67.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 61.22 110.048 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -78.25 -8.46 58.38 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.119 . . . . 70.44 109.35 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 1.031 HD11 ' HB1' ' A' ' 89' ' ' ALA . 21.9 mm -87.03 -48.4 15.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 61.53 109.304 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . 0.82 ' CD2' HD23 ' A' ' 105' ' ' LEU . 4.1 t80 -70.52 -6.19 34.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 52.14 111.035 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . 0.415 ' O ' ' CG ' ' A' ' 96' ' ' GLN . 27.2 tp60 -95.86 -12.74 24.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.441 1.088 . . . . 73.33 110.298 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -121.78 -6.14 9.1 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.467 1.105 . . . . 70.13 110.312 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . 0.7 ' HB2' HD11 ' A' ' 105' ' ' LEU . 14.3 m-70 -121.29 14.44 11.26 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.542 1.151 . . . . 62.03 109.584 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.519 ' HB3' ' O ' ' A' ' 95' ' ' TYR . 0.0 OUTLIER -70.61 157.04 38.64 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.469 1.105 . . . . 60.42 109.278 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . 0.448 ' O ' ' N ' ' A' ' 103' ' ' GLY . 0.4 OUTLIER -130.88 173.61 10.79 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.494 1.121 . . . . 64.51 109.257 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 43.6 mtmt -48.64 -41.1 30.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 74.24 109.283 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . 0.486 ' HB3' ' CE2' ' A' ' 11' ' ' PHE . 0.3 OUTLIER -63.5 -32.25 73.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.452 1.095 . . . . 52.35 109.314 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 100' ' ' ASP . . . 101.56 -39.44 2.75 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.504 1.128 . . . . 42.14 111.031 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . 0.654 ' CE2' ' NH2' ' A' ' 14' ' ' ARG . 21.2 m-85 -68.09 145.56 54.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 0.767 . . . . 73.23 111.002 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.82 HD23 ' CD2' ' A' ' 95' ' ' TYR . 0.2 OUTLIER -80.28 162.47 24.57 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.402 1.064 . . . . 74.42 109.256 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 31.0 m-85 -140.98 88.64 2.19 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 64.4 110.99 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.551 HG13 ' HA ' ' A' ' 33' ' ' CYS . 9.9 p -94.05 169.06 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.514 1.134 . . . . 71.32 109.274 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . 0.944 HG23 ' HB3' ' A' ' 34' ' ' GLU . 0.2 OUTLIER -153.88 130.78 10.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 74.21 110.422 -179.952 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' TYR . . . . . 0.685 ' CD2' HD11 ' A' ' 76' ' ' ILE . 45.3 p90 -114.42 143.66 44.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.594 1.184 . . . . 63.54 110.972 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 18.8 t -146.79 141.93 27.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 73.5 110.018 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -64.33 -10.43 41.92 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.528 1.142 . . . . 54.34 110.991 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -110.92 130.92 55.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.413 0.714 . . . . 65.25 110.284 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . 0.4 ' CG ' ' O ' ' A' ' 113' ' ' ASN . 46.1 t-20 -93.96 42.23 1.09 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.544 1.153 . . . . 71.13 109.279 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . 0.512 HG22 ' H ' ' A' ' 115' ' ' PHE . 3.5 m -102.66 178.12 4.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.418 1.073 . . . . 73.22 110.414 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . 0.512 ' H ' HG22 ' A' ' 114' ' ' THR . 4.0 p90 -123.01 101.32 7.36 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.592 1.183 . . . . 74.33 111.013 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.976 0 O-C-N 124.499 1.124 . . . . 63.52 110.96 179.964 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 597' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.037 0 N-CA-C 110.973 -0.851 . . . . 75.34 110.973 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 598' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 138.42 22.98 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.484 1.781 . . . . 62.55 111.03 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 599' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -141.72 167.41 22.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.567 1.167 . . . . 61.33 109.587 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 600' ' ' MET . . . . . 0.487 ' SD ' ' CD1' ' B' ' 607' ' ' ILE . 21.6 mmm -78.38 167.15 21.76 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.509 1.131 . . . . 71.31 111.008 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 601' ' ' ILE . . . . . 0.588 HG22 ' N ' ' B' ' 602' ' ' SER . 5.3 mp -108.49 -104.24 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.153 . . . . 72.44 109.314 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 602' ' ' SER . . . . . 0.588 ' N ' HG22 ' B' ' 601' ' ' ILE . 30.5 t -129.39 167.21 18.12 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 55.44 110.007 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 603' ' ' GLY . . . . . . . . . . . . . . . 78.03 177.2 47.35 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.508 1.13 . . . . 71.31 111.004 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 604' ' ' LEU . . . . . . . . . . . . . 1.2 pt? -127.92 129.61 47.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 0.767 . . . . 63.33 109.307 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 605' ' ' SER . . . . . . . . . . . . . 2.4 p -179.35 172.77 1.16 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.492 1.12 . . . . 73.05 110.032 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 606' ' ' VAL . . . . . 0.488 HG22 ' H ' ' B' ' 607' ' ' ILE . 9.4 p -50.55 169.91 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.489 1.118 . . . . 74.11 109.271 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 607' ' ' ILE . . . . . 0.488 ' H ' HG22 ' B' ' 606' ' ' VAL . 5.9 mm -125.9 150.14 31.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.562 1.164 . . . . 71.45 109.357 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 608' ' ' LYS . . . . . . . . . . . . . 43.6 mtmt -119.6 135.29 54.86 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.494 1.121 . . . . 71.52 109.29 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 609' ' ' GLN . . . . . 0.415 ' CD ' ' N ' ' B' ' 609' ' ' GLN . 11.3 mp0 -128.53 163.11 25.69 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.457 1.098 . . . . 75.51 110.307 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 610' ' ' GLU . . . . . 0.885 ' O ' HG13 ' B' ' 611' ' ' VAL . 8.8 pt-20 -107.95 -172.06 1.99 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 74.31 110.326 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 611' ' ' VAL . . . . . 0.885 HG13 ' O ' ' B' ' 610' ' ' GLU . 0.0 OUTLIER -172.76 152.97 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 74.53 109.243 -179.966 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 612' ' ' GLU . . . . . 0.42 ' HG3' ' CG ' ' B' ' 613' ' ' ARG . 9.1 pt-20 -112.48 -43.43 3.5 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.468 1.105 . . . . 72.22 110.347 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 613' ' ' ARG . . . . . 0.42 ' CG ' ' HG3' ' B' ' 612' ' ' GLU . 1.6 ptt180 -143.82 -45.51 0.27 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 71.31 110.303 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 614' ' ' LEU . . . . . 0.666 ' CD2' ' CE2' ' A' ' 5' ' ' PHE . 7.1 mp -75.8 -172.18 1.84 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.48 1.113 . . . . 75.01 109.28 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 615' ' ' GLY . . . . . . . . . . . . . . . 130.04 -42.99 1.34 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.497 1.123 . . . . 55.23 110.993 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 616' ' ' ASN . . . . . 0.403 ' O ' ' O ' ' B' ' 619' ' ' PHE . 55.5 t30 -78.15 107.82 11.01 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 0.769 . . . . 73.32 109.287 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 617' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 53.99 31.72 14.07 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 64.21 109.341 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 618' ' ' VAL . . . . . 0.553 ' O ' ' CG ' ' B' ' 619' ' ' PHE . 7.2 t 45.84 33.17 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.441 1.088 . . . . 73.24 109.279 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 619' ' ' PHE . . . . . 0.581 ' CD1' ' HB3' ' B' ' 624' ' ' ASP . 15.5 m-85 -172.33 130.59 0.59 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 72.23 111.0 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 620' ' ' GLU . . . . . 0.4 ' CD ' ' O ' ' B' ' 620' ' ' GLU . 0.3 OUTLIER -157.2 69.92 0.59 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.459 1.1 . . . . 53.42 110.292 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 621' ' ' TRP . . . . . 0.513 ' O ' ' C ' ' B' ' 622' ' ' GLU . 0.6 OUTLIER -164.99 -166.3 1.01 Allowed 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 107.907 -1.146 . . . . 73.32 107.907 -179.939 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 622' ' ' GLU . . . . . 0.513 ' C ' ' O ' ' B' ' 621' ' ' TRP . 15.8 mm-40 -29.76 -75.64 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 64.15 110.277 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 623' ' ' ASP . . . . . 0.537 ' O ' ' CB ' ' B' ' 626' ' ' SER . 2.9 m-20 175.88 118.4 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 72.32 109.32 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 624' ' ' ASP . . . . . 0.581 ' HB3' ' CD1' ' B' ' 619' ' ' PHE . 5.2 p-10 -49.74 -40.92 42.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.115 . . . . 63.21 109.31 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 625' ' ' GLU . . . . . 0.457 ' O ' ' C ' ' B' ' 626' ' ' SER . 4.5 pt-20 -70.09 -25.08 63.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 75.1 110.342 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 626' ' ' SER . . . . . 0.537 ' CB ' ' O ' ' B' ' 623' ' ' ASP . 22.5 t -34.21 135.2 0.16 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.145 . . . . 72.44 109.988 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 627' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -62.27 -12.92 23.28 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.556 1.16 . . . . 61.45 109.285 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 628' ' ' GLU . . . . . 0.52 ' O ' HG13 ' A' ' 63' ' ' VAL . 10.4 pt-20 -54.66 -22.85 14.93 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 70.04 110.333 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 629' ' ' ILE . . . . . 0.543 ' C ' HD12 ' B' ' 629' ' ' ILE . 1.3 pp -110.31 31.19 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.449 1.093 . . . . 61.41 109.262 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 630' ' ' ALA . . . . . 0.748 ' HA ' HG21 ' A' ' 63' ' ' VAL . . . . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 73.25 109.288 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 0' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.258 0 N-CA-C 109.541 -0.541 . . . . 72.51 109.541 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.0 mtm -104.96 -169.63 1.64 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.489 1.118 . . . . 71.22 111.05 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.448 ' O ' ' CG ' ' A' ' 34' ' ' GLU . 1.8 ptmt -120.33 -42.65 2.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.539 1.149 . . . . 64.1 109.294 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.45 ' O ' ' CB ' ' A' ' 7' ' ' SER . 42.2 m -114.05 138.19 50.72 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.504 1.127 . . . . 61.21 109.978 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.442 ' OG1' ' N ' ' A' ' 5' ' ' PHE . 69.9 p -126.22 -73.66 0.62 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.464 1.103 . . . . 74.44 110.441 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.619 ' HA ' HH21 ' B' ' 613' ' ' ARG . 56.1 t80 -52.74 -26.33 13.79 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.504 1.127 . . . . 75.11 111.039 179.895 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.441 ' HE3' ' CE1' ' A' ' 106' ' ' TYR . 29.0 tttm -100.72 -20.6 15.52 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.593 1.183 . . . . 72.11 109.358 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.45 ' CB ' ' O ' ' A' ' 3' ' ' SER . 39.1 t -83.09 5.12 23.55 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.539 1.149 . . . . 63.35 110.043 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.741 ' HG2' HD12 ' B' ' 614' ' ' LEU . 5.4 tp10 -90.49 -64.1 1.18 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.642 1.214 . . . . 75.05 110.292 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.661 ' CZ ' HG13 ' B' ' 618' ' ' VAL . 22.3 p90 -105.84 164.19 15.52 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.613 1.196 . . . . 62.13 111.012 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 171.16 18.86 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.486 1.782 . . . . 44.44 110.989 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.578 ' CE2' ' HB3' ' A' ' 102' ' ' ASP . 2.3 t80 -58.5 -34.88 71.43 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.585 1.178 . . . . 73.12 110.983 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -62.72 -12.32 23.1 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.517 1.136 . . . . 72.25 110.25 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.573 ' HB3' ' CD2' ' A' ' 9' ' ' TYR . 0.0 OUTLIER -93.75 -15.01 25.62 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.486 1.116 . . . . 72.31 109.388 179.983 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.594 ' NH2' ' CE2' ' A' ' 5' ' ' PHE . 3.9 ttm105 -97.32 -39.59 9.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 72.4 110.322 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 27.6 pttt -64.57 -38.8 92.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 63.02 109.26 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -77.81 -14.94 59.42 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.499 1.124 . . . . 52.13 109.236 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.759 ' OE1' HG11 ' B' ' 618' ' ' VAL . 77.3 tt0 -75.43 -48.5 22.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 64.25 110.311 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.1 -9.92 55.08 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.408 1.067 . . . . 73.4 110.109 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 -73.03 -25.86 61.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 72.31 110.243 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.405 ' HG3' ' N ' ' A' ' 21' ' ' ILE . 3.7 ptp180 -100.57 -32.54 10.72 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.532 1.145 . . . . 74.03 110.253 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.405 ' N ' ' HG3' ' A' ' 20' ' ' ARG . 4.8 mt -66.83 -17.53 22.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 70.13 109.32 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -76.61 -17.63 59.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 53.32 109.213 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -105.66 -16.82 14.59 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 74.04 109.315 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 2.8 mmm180 -95.34 -60.73 1.61 Allowed 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.463 1.102 . . . . 72.2 110.328 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.431 ' HB3' ' CG ' ' A' ' 28' ' ' ARG . 4.0 m-85 -122.11 80.74 43.65 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.561 1.163 . . . . 64.32 111.024 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 -32.05 5.82 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.427 1.751 . . . . 74.2 111.024 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 12.5 m-20 -91.28 39.07 0.99 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.436 1.085 . . . . 72.44 109.315 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.511 ' NH1' HD23 ' A' ' 50' ' ' LEU . 9.1 mmt85 -127.45 174.91 8.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 75.13 110.377 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.429 HG23 ' CB ' ' A' ' 95' ' ' TYR . 30.5 mm -137.11 99.39 9.97 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.127 . . . . 73.21 109.262 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.6 ' HD2' ' CE2' ' A' ' 95' ' ' TYR . 18.2 Cg_endo -75.06 118.9 5.41 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.425 1.75 . . . . 64.02 110.973 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.714 ' O ' HD13 ' A' ' 32' ' ' ILE . 1.4 m -134.11 172.15 16.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.466 1.104 . . . . 75.34 109.266 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.714 HD13 ' O ' ' A' ' 31' ' ' VAL . 5.0 mm -140.97 107.52 2.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.559 1.162 . . . . 65.24 109.278 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.471 ' HG ' ' HD1' ' A' ' 109' ' ' TYR . 1.0 OUTLIER -92.44 136.36 33.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.545 1.153 . . . . 43.2 108.264 -179.961 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.895 ' CB ' HH21 ' A' ' 47' ' ' ARG . 8.4 tm-20 -140.27 153.3 46.45 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.568 1.167 . . . . 74.13 110.302 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.444 ' NZ ' ' O ' ' A' ' 39' ' ' SER . 0.0 OUTLIER -82.89 128.03 34.05 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.58 1.175 . . . . 74.11 109.327 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.556 ' HB3' ' HB2' ' A' ' 110' ' ' SER . . . -76.87 112.08 13.09 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.467 1.105 . . . . 61.54 109.258 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.47 ' CG ' ' N ' ' A' ' 38' ' ' LYS . 14.1 pt-20 -42.6 -48.37 5.4 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.505 1.128 . . . . 72.1 110.299 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.47 ' N ' ' CG ' ' A' ' 37' ' ' GLU . 0.0 OUTLIER -42.38 -43.85 3.72 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.522 1.138 . . . . 70.13 109.332 179.938 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.444 ' O ' ' NZ ' ' A' ' 35' ' ' LYS . 0.2 OUTLIER -62.21 166.36 4.96 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.559 1.162 . . . . 61.22 109.98 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 10.0 t0 -120.14 27.21 8.77 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.476 1.11 . . . . 65.12 109.274 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.617 HD11 ' CE2' ' A' ' 109' ' ' TYR . 0.1 OUTLIER -92.21 171.28 7.89 Favored Pre-proline 0 C--N 1.323 -0.572 0 O-C-N 124.606 1.191 . . . . 75.43 109.349 179.912 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 123.08 7.61 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.586 1.835 . . . . 64.4 110.976 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -60.71 152.93 25.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 74.43 110.273 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.489 ' CD1' ' OH ' ' A' ' 49' ' ' TYR . 10.7 tt -83.16 161.62 3.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 73.53 109.238 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.442 ' N ' HG12 ' A' ' 44' ' ' ILE . 1.0 OUTLIER -62.77 -49.91 73.12 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.425 1.078 . . . . 74.13 109.264 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.554 ' HG2' ' CZ2' ' B' ' 621' ' ' TRP . 0.0 OUTLIER -149.38 164.97 33.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 72.31 109.267 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.895 HH21 ' CB ' ' A' ' 34' ' ' GLU . 0.9 OUTLIER -109.45 95.33 5.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.105 . . . . 73.31 110.341 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.574 ' HB2' ' CD2' ' A' ' 5' ' ' PHE . 8.6 tptp -165.93 108.48 0.77 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.447 1.092 . . . . 65.41 109.335 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.708 ' CE2' HD13 ' A' ' 64' ' ' ILE . 43.9 m-85 -135.27 124.99 25.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.117 . . . . 72.34 110.962 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.511 HD23 ' NH1' ' A' ' 28' ' ' ARG . 0.4 OUTLIER -111.61 78.05 1.09 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 74.33 109.317 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.909 HG21 ' SD ' ' A' ' 91' ' ' MET . 28.4 m -77.51 150.13 79.14 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.114 . . . . 63.4 109.29 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.52 ' HD3' ' HB1' ' B' ' 630' ' ' ALA . 18.2 Cg_endo -75.04 -178.09 3.93 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.484 1.781 . . . . 72.44 110.98 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -93.44 18.48 9.73 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.545 1.153 . . . . 72.45 109.272 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 18.8 m-20 -121.09 -38.86 2.76 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 72.41 109.255 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.431 ' HG ' ' CB ' ' A' ' 59' ' ' GLN . 0.9 OUTLIER -56.25 129.09 38.83 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.527 1.142 . . . . 73.35 109.296 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 1.001 HG22 ' CD2' ' A' ' 90' ' ' LEU . 5.0 p -90.65 177.0 6.46 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.457 1.098 . . . . 33.54 110.38 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.44 ' O ' HG23 ' A' ' 61' ' ' VAL . 2.8 t -64.9 -43.27 96.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 60.44 109.268 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -70.73 -7.86 62.44 Favored Glycine 0 CA--C 1.528 0.897 0 O-C-N 124.422 1.077 . . . . 73.23 111.038 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.431 ' CB ' ' HG ' ' A' ' 55' ' ' LEU . 8.7 mt-30 -99.26 -23.88 15.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.449 0.735 . . . . 74.53 110.226 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.724 ' CD1' HG11 ' A' ' 51' ' ' VAL . 16.0 t80 -77.41 -53.35 7.76 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.518 1.136 . . . . 73.03 110.936 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.669 HG22 ' CG1' ' A' ' 78' ' ' ILE . 50.8 t -39.24 -36.13 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.423 1.077 . . . . 73.01 109.315 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.547 ' CG ' ' N ' ' A' ' 63' ' ' VAL . 0.4 OUTLIER -58.25 -66.4 0.49 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.531 1.144 . . . . 74.54 111.016 -179.972 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.742 HG11 ' C ' ' B' ' 629' ' ' ILE . 77.0 t -44.01 -32.86 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.45 1.094 . . . . 65.32 109.234 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.708 HD13 ' CE2' ' A' ' 49' ' ' TYR . 28.7 mm -69.28 -65.3 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.403 1.064 . . . . 74.05 109.35 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.457 ' O ' ' N ' ' A' ' 69' ' ' MET . 4.2 tpp85 -44.86 -25.83 0.34 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.458 1.099 . . . . 63.25 110.284 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.445 ' HD3' ' CD1' ' A' ' 62' ' ' TYR . 0.0 OUTLIER -71.79 -44.95 63.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 71.45 109.237 -179.936 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.446 ' N ' ' O ' ' A' ' 64' ' ' ILE . 0.2 OUTLIER -57.92 -39.76 78.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 74.15 110.305 -179.984 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.679 HD11 ' CD1' ' A' ' 76' ' ' ILE . 3.3 pt -101.32 6.6 9.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.523 1.14 . . . . 74.21 109.336 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.457 ' N ' ' O ' ' A' ' 65' ' ' ARG . 0.0 OUTLIER 33.89 36.15 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.565 1.166 . . . . 64.34 110.95 -179.976 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.493 HD12 ' HA ' ' A' ' 70' ' ' LEU . 5.4 tp -50.74 140.54 19.43 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 62.43 109.303 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' ' 70' ' ' LEU . 18.3 Cg_endo -75.02 167.7 26.44 Favored 'Trans proline' 0 C--N 1.359 1.102 0 O-C-N 124.555 1.818 . . . . 75.31 110.963 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 0.62 8.7 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.527 1.803 . . . . 73.31 110.966 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -97.58 5.24 49.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.413 1.071 . . . . 75.11 110.252 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -124.26 -179.02 4.28 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.514 1.134 . . . . 74.24 109.299 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -140.18 171.96 13.42 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.524 1.14 . . . . 54.01 109.296 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.724 HD11 ' CD2' ' A' ' 109' ' ' TYR . 1.4 tt -163.12 114.32 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 71.13 109.324 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.679 ' HB3' HD21 ' A' ' 84' ' ' LEU . 66.6 m-85 -110.58 137.46 48.24 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.48 1.112 . . . . 70.23 111.067 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.678 ' O ' HD23 ' A' ' 84' ' ' LEU . 7.5 mm -84.59 132.41 31.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.108 . . . . 70.04 109.315 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -123.39 123.7 41.27 Favored 'General case' 0 C--N 1.323 -0.563 0 O-C-N 124.53 1.144 . . . . 63.12 111.062 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.751 ' O ' HG22 ' A' ' 83' ' ' THR . 2.2 t -126.97 107.19 16.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.533 1.145 . . . . 75.21 109.265 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . 0.599 ' ND2' ' CE1' ' A' ' 98' ' ' HIS . 1.9 m-80 68.91 21.07 7.69 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.413 1.071 . . . . 74.42 109.325 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . 0.497 ' CB ' ' O ' ' A' ' 81' ' ' ASN . 1.8 m-20 82.04 24.08 0.22 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.125 . . . . 75.13 109.278 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.751 HG22 ' O ' ' A' ' 80' ' ' VAL . 1.2 t -127.09 142.63 51.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.43 1.081 . . . . 74.25 110.408 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.679 HD21 ' HB3' ' A' ' 77' ' ' PHE . 2.0 mt -101.38 108.15 53.97 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 64.22 109.278 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -74.91 155.74 43.38 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.514 1.797 . . . . 73.14 110.944 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . 0.735 ' HD2' ' HB2' ' A' ' 89' ' ' ALA . 18.6 Cg_endo -74.96 177.68 8.25 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.477 1.777 . . . . 70.44 110.966 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 8.6 p -78.89 -32.77 45.97 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.561 1.163 . . . . 62.41 110.32 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -80.53 3.47 21.56 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.562 1.164 . . . . 71.44 109.32 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 1.061 ' HB1' HD11 ' A' ' 94' ' ' ILE . . . -75.94 60.58 1.39 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 73.43 109.4 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 1.001 ' CD2' HG22 ' A' ' 56' ' ' THR . 14.7 mt -31.12 120.46 0.22 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.461 1.1 . . . . 71.21 109.274 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . 0.909 ' SD ' HG21 ' A' ' 51' ' ' VAL . 0.0 OUTLIER -34.7 -36.82 0.05 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 71.21 110.969 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . 0.419 ' N ' ' O ' ' A' ' 90' ' ' LEU . 7.3 t -58.9 -59.18 5.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 61.22 109.999 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -59.2 -16.05 18.39 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.459 1.099 . . . . 70.44 109.229 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 1.061 HD11 ' HB1' ' A' ' 89' ' ' ALA . 19.0 mm -86.43 -38.31 12.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.553 1.158 . . . . 61.53 109.344 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . 0.806 ' CD2' HD23 ' A' ' 105' ' ' LEU . 9.3 t80 -80.42 -6.06 57.48 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 52.14 110.976 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . 0.444 ' O ' ' CG ' ' A' ' 96' ' ' GLN . 1.5 tt0 -101.67 -10.38 20.06 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.47 1.106 . . . . 73.33 110.308 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -119.31 -8.17 10.13 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.135 . . . . 70.13 110.307 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . 0.599 ' CE1' ' ND2' ' A' ' 81' ' ' ASN . 35.4 m-70 -127.7 16.83 6.93 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.101 . . . . 62.03 109.653 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.469 ' HB3' ' O ' ' A' ' 95' ' ' TYR . 0.0 OUTLIER -57.74 157.66 7.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.099 . . . . 60.42 109.34 179.938 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -128.56 173.08 10.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 64.51 109.352 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 13.1 mtpt -58.65 -38.9 79.14 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.447 1.092 . . . . 74.24 109.279 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . 0.578 ' HB3' ' CE2' ' A' ' 11' ' ' PHE . 0.4 OUTLIER -71.65 -12.36 61.3 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 52.35 109.343 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . 0.478 ' O ' ' CZ ' ' A' ' 95' ' ' TYR . . . 88.06 -39.49 3.11 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.562 1.164 . . . . 42.14 110.927 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . 0.572 ' CD1' ' HG2' ' A' ' 14' ' ' ARG . 15.5 m-85 -60.83 156.31 17.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.569 0.805 . . . . 73.23 110.926 -179.881 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.806 HD23 ' CD2' ' A' ' 95' ' ' TYR . 0.2 OUTLIER -96.64 146.94 24.39 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.454 1.096 . . . . 74.42 109.238 -179.944 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . 0.441 ' CE1' ' HE3' ' A' ' 6' ' ' LYS . 78.9 m-85 -124.7 96.43 4.89 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.474 1.109 . . . . 64.4 110.944 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.704 HG23 HG22 ' A' ' 80' ' ' VAL . 11.2 p -108.86 171.55 2.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.517 1.135 . . . . 71.32 109.284 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . 0.527 ' H ' HG22 ' A' ' 107' ' ' VAL . 0.6 OUTLIER -153.21 163.62 39.56 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.533 1.145 . . . . 74.21 110.468 179.912 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' TYR . . . . . 0.724 ' CD2' HD11 ' A' ' 76' ' ' ILE . 23.6 p90 -141.21 138.37 33.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 63.54 110.967 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . 0.556 ' HB2' ' HB3' ' A' ' 36' ' ' ALA . 38.2 t -138.29 120.48 15.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.546 1.153 . . . . 73.5 110.004 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . 0.453 ' H ' HG21 ' A' ' 41' ' ' ILE . . . -38.76 -31.59 0.13 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.571 1.169 . . . . 54.34 111.005 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 -99.68 151.1 21.6 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.468 0.746 . . . . 65.25 110.333 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . 0.538 HD21 HD13 ' A' ' 84' ' ' LEU . 35.8 t-20 -96.74 48.83 1.07 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.447 1.092 . . . . 71.13 109.313 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . 0.688 HG22 ' H ' ' A' ' 115' ' ' PHE . 7.0 m -144.71 -174.87 4.45 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.497 1.123 . . . . 73.22 110.392 -179.91 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . 0.688 ' H ' HG22 ' A' ' 114' ' ' THR . 1.7 p90 -139.65 105.51 5.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.413 1.071 . . . . 74.33 111.028 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 O-C-N 124.57 1.169 . . . . 63.52 110.983 -179.946 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 597' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 N-CA-C 111.1 -0.8 . . . . 75.34 111.1 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 598' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -175.01 2.13 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.505 1.792 . . . . 62.55 111.006 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 599' ' ' HIS . . . . . . . . . . . . . 47.8 m170 -91.44 167.94 11.9 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.556 1.16 . . . . 61.33 109.567 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 600' ' ' MET . . . . . . . . . . . . . 1.6 mtt -94.92 124.67 39.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 71.31 111.01 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 601' ' ' ILE . . . . . . . . . . . . . 27.8 mm -69.6 125.03 26.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.568 1.167 . . . . 72.44 109.202 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 602' ' ' SER . . . . . . . . . . . . . 12.1 t -141.21 107.68 5.3 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.482 1.114 . . . . 55.44 110.037 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 603' ' ' GLY . . . . . . . . . . . . . . . 111.44 -138.16 14.78 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.478 1.111 . . . . 71.31 110.98 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 604' ' ' LEU . . . . . . . . . . . . . 10.1 tt -45.53 118.4 1.76 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 0.78 . . . . 63.33 109.323 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 605' ' ' SER . . . . . . . . . . . . . 32.3 t -133.13 155.74 48.72 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.551 1.157 . . . . 73.05 109.984 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 606' ' ' VAL . . . . . 0.52 HG22 ' N ' ' B' ' 607' ' ' ILE . 13.5 p -100.75 169.24 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.631 1.207 . . . . 74.11 109.308 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 607' ' ' ILE . . . . . 0.52 ' N ' HG22 ' B' ' 606' ' ' VAL . 3.1 mm -59.32 132.43 24.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.551 1.157 . . . . 71.45 109.35 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 608' ' ' LYS . . . . . . . . . . . . . 20.3 mmtp -139.47 144.0 37.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 71.52 109.282 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 609' ' ' GLN . . . . . 0.425 HE22 HG22 ' B' ' 607' ' ' ILE . 2.1 mp0 -108.41 170.89 7.74 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.551 1.157 . . . . 75.51 110.359 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 610' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -106.7 -171.16 1.84 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.109 . . . . 74.31 110.292 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 611' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -160.3 133.91 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.583 1.177 . . . . 74.53 109.302 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 612' ' ' GLU . . . . . 0.41 ' CG ' ' N ' ' B' ' 613' ' ' ARG . 10.2 pt-20 -123.39 -53.51 1.8 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.138 . . . . 72.22 110.299 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 613' ' ' ARG . . . . . 0.619 HH21 ' HA ' ' A' ' 5' ' ' PHE . 5.8 ptt180 -137.18 -43.28 0.56 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 71.31 110.319 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 614' ' ' LEU . . . . . 0.741 HD12 ' HG2' ' A' ' 8' ' ' GLU . 1.4 pp -113.92 154.89 26.77 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.557 1.161 . . . . 75.01 109.318 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 615' ' ' GLY . . . . . 0.408 ' O ' ' C ' ' B' ' 616' ' ' ASN . . . -163.02 -67.63 0.02 OUTLIER Glycine 0 CA--C 1.532 1.127 0 O-C-N 124.58 1.175 . . . . 55.23 110.985 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 616' ' ' ASN . . . . . 0.408 ' C ' ' O ' ' B' ' 615' ' ' GLY . 5.9 p30 -39.85 -35.0 0.3 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.564 0.803 . . . . 73.32 109.282 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 617' ' ' ASP . . . . . 0.45 ' N ' ' OE1' ' B' ' 620' ' ' GLU . 21.0 m-20 -151.76 173.76 14.35 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.5 1.125 . . . . 64.21 109.316 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 618' ' ' VAL . . . . . 0.759 HG11 ' OE1' ' A' ' 17' ' ' GLU . 1.5 t -79.98 -22.04 11.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.127 . . . . 73.24 109.29 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 619' ' ' PHE . . . . . 0.478 ' CE2' ' O ' ' B' ' 624' ' ' ASP . 3.2 m-30 -116.86 120.96 40.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 72.23 111.023 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 620' ' ' GLU . . . . . 0.45 ' OE1' ' N ' ' B' ' 617' ' ' ASP . 12.3 mm-40 -136.24 -72.48 0.45 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.468 1.105 . . . . 53.42 110.282 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 621' ' ' TRP . . . . . 0.671 ' CD1' ' O ' ' B' ' 622' ' ' GLU . 1.0 OUTLIER -58.08 164.1 2.5 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.497 1.123 . . . . 73.32 107.994 -179.926 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 622' ' ' GLU . . . . . 0.671 ' O ' ' CD1' ' B' ' 621' ' ' TRP . 1.7 pt-20 -52.24 -172.9 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.145 . . . . 64.15 110.31 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 623' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 71.97 16.36 5.45 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.503 1.127 . . . . 72.32 109.205 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 624' ' ' ASP . . . . . 0.478 ' O ' ' CE2' ' B' ' 619' ' ' PHE . 14.9 t70 -41.93 -63.48 0.73 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 63.21 109.391 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 625' ' ' GLU . . . . . 0.412 ' O ' ' C ' ' B' ' 626' ' ' SER . 0.5 OUTLIER -127.44 2.92 6.26 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.475 1.109 . . . . 75.1 110.351 179.908 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 626' ' ' SER . . . . . 0.412 ' C ' ' O ' ' B' ' 625' ' ' GLU . 59.8 m -38.55 144.47 0.11 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.457 1.098 . . . . 72.44 109.968 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 627' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -80.19 2.05 25.86 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.491 1.12 . . . . 61.45 109.328 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 628' ' ' GLU . . . . . 0.693 ' O ' HG13 ' A' ' 63' ' ' VAL . 9.0 pt-20 -63.65 -12.16 31.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 70.04 110.428 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 629' ' ' ILE . . . . . 0.742 ' C ' HG11 ' A' ' 63' ' ' VAL . 1.3 pp -107.57 14.04 8.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.11 . . . . 61.41 109.291 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 630' ' ' ALA . . . . . 0.695 ' CA ' HG21 ' A' ' 63' ' ' VAL . . . . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.496 1.122 . . . . 73.25 109.352 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 0' ' ' HIS . . . . . . . . . . . . . 61.1 m80 . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.634 -0.506 . . . . 72.51 109.634 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 7.0 ptm -55.55 -179.88 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 71.22 111.078 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 34.9 mttp -134.91 -74.56 0.46 Allowed 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.526 1.142 . . . . 64.1 109.291 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.2 m -72.91 170.49 14.64 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.452 1.095 . . . . 61.21 110.005 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.884 HG23 HH21 ' A' ' 47' ' ' ARG . 23.0 p -130.92 -81.73 0.53 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.524 1.14 . . . . 74.44 110.385 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.597 ' CZ ' ' OH ' ' A' ' 9' ' ' TYR . 6.1 t80 -63.68 -33.26 75.23 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.453 1.095 . . . . 75.11 110.924 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.532 ' NZ ' ' CE1' ' A' ' 106' ' ' TYR . 0.1 OUTLIER -78.68 -37.56 41.44 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.551 1.157 . . . . 72.11 109.289 -179.976 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 1.9 t -69.84 -23.5 63.3 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.526 1.141 . . . . 63.35 109.986 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.959 ' HG2' HD12 ' B' ' 614' ' ' LEU . 7.2 tp10 -44.04 -58.14 2.98 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.564 1.165 . . . . 75.05 110.349 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.597 ' OH ' ' CZ ' ' A' ' 5' ' ' PHE . 1.2 p90 -120.19 166.07 16.25 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.601 1.188 . . . . 62.13 110.999 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.478 ' HA ' ' NH2' ' A' ' 14' ' ' ARG . 18.4 Cg_endo -75.0 171.69 17.84 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.41 1.742 . . . . 44.44 111.066 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.457 ' O ' ' N ' ' A' ' 14' ' ' ARG . 12.3 t80 -55.83 -55.44 32.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 73.12 110.976 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -39.42 -29.58 0.05 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 72.25 110.264 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.424 ' N ' ' O ' ' A' ' 11' ' ' PHE . 4.1 tppt? -82.65 -49.29 9.97 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.468 1.105 . . . . 72.31 109.297 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.478 ' NH2' ' HA ' ' A' ' 10' ' ' PRO . 11.6 mtt180 -56.44 -27.33 56.43 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.46 1.1 . . . . 72.4 110.302 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 23.5 pttt -82.79 -44.17 15.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.444 1.09 . . . . 63.02 109.332 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.65 -30.11 71.13 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.459 1.099 . . . . 52.13 109.311 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.505 ' HG2' HG21 ' B' ' 618' ' ' VAL . 30.1 tp10 -72.74 -58.91 2.99 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.466 1.104 . . . . 64.25 110.386 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.594 ' OG ' ' CD2' ' A' ' 104' ' ' PHE . 0.9 OUTLIER -56.32 -18.27 10.27 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.484 1.115 . . . . 73.4 109.998 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -69.91 -33.15 71.81 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.466 1.104 . . . . 72.31 110.372 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 26.7 mtm180 -89.76 -36.5 15.12 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.486 1.116 . . . . 74.03 110.347 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 13.0 mt -58.05 -21.84 17.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 70.13 109.29 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -74.65 -27.19 60.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 53.32 109.346 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -91.25 -19.78 22.64 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.123 . . . . 74.04 109.315 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.602 ' O ' ' CD1' ' A' ' 25' ' ' PHE . 5.6 mtp85 -90.39 -31.82 16.7 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.456 1.097 . . . . 72.2 110.277 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.602 ' CD1' ' O ' ' A' ' 24' ' ' ARG . 5.8 m-85 -153.19 86.45 4.07 Favored Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.433 1.083 . . . . 64.32 111.074 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -16.39 20.17 Favored 'Trans proline' 0 C--N 1.361 1.215 0 O-C-N 124.481 1.779 . . . . 74.2 110.977 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.1 p30 -109.91 49.85 0.82 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 72.44 109.356 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.729 ' HB3' HD11 ' A' ' 50' ' ' LEU . 5.0 mmt-85 -134.63 -178.17 4.94 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 75.13 110.358 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.607 HG23 ' CB ' ' A' ' 95' ' ' TYR . 37.1 mm -145.27 97.4 4.76 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 73.21 109.255 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.585 ' HD2' ' CE2' ' A' ' 95' ' ' TYR . 18.2 Cg_endo -74.95 124.21 8.48 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.522 1.801 . . . . 64.02 110.963 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.511 HG22 ' O ' ' A' ' 49' ' ' TYR . 0.7 OUTLIER -134.17 173.34 14.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.435 1.085 . . . . 75.34 109.279 179.963 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.456 HD13 ' O ' ' A' ' 31' ' ' VAL . 6.4 mm -137.88 103.6 2.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.547 1.154 . . . . 65.24 109.305 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.504 ' HA ' HG22 ' A' ' 107' ' ' VAL . 0.5 OUTLIER -75.56 129.05 36.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.445 1.091 . . . . 43.2 108.271 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.665 ' HB3' HG23 ' A' ' 108' ' ' THR . 5.7 tm-20 -121.26 163.82 17.97 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.544 1.152 . . . . 74.13 110.198 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.569 ' HG2' ' CE1' ' A' ' 109' ' ' TYR . 0.0 OUTLIER -121.09 112.53 18.81 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.451 1.095 . . . . 74.11 109.269 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -51.32 166.43 0.11 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.555 1.16 . . . . 61.54 109.332 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.408 ' CG ' ' N ' ' A' ' 38' ' ' LYS . 14.9 pt-20 -92.36 -48.39 6.69 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.582 1.176 . . . . 72.1 110.259 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.408 ' N ' ' CG ' ' A' ' 37' ' ' GLU . 53.6 mttm -56.49 -23.16 37.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 70.13 109.339 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.2 t -57.5 155.87 8.89 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.505 1.128 . . . . 61.22 109.961 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -115.58 13.83 16.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.133 . . . . 65.12 109.323 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.605 HD11 ' CE1' ' A' ' 109' ' ' TYR . 0.1 OUTLIER -90.92 163.5 29.44 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.501 1.125 . . . . 75.43 109.327 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.477 ' O ' HG21 ' A' ' 68' ' ' ILE . 18.4 Cg_endo -74.91 130.71 13.63 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.589 1.836 . . . . 64.4 111.068 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -62.76 146.63 52.01 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 74.43 110.336 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.797 HD11 ' OH ' ' A' ' 49' ' ' TYR . 5.4 tt -72.54 172.68 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.545 1.153 . . . . 73.53 109.286 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.446 ' O ' ' NH1' ' B' ' 613' ' ' ARG . 5.7 m-20 -74.68 -45.75 42.39 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.448 1.092 . . . . 74.13 109.373 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.563 ' HE3' ' CZ2' ' B' ' 621' ' ' TRP . 0.0 OUTLIER -153.08 161.83 42.04 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.471 1.107 . . . . 72.31 109.311 179.956 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.884 HH21 HG23 ' A' ' 4' ' ' THR . 12.8 mtt-85 -108.42 94.79 5.25 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.435 1.084 . . . . 73.31 110.265 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.568 ' HB2' ' CD1' ' A' ' 5' ' ' PHE . 3.0 tptt -167.31 108.72 0.63 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 65.41 109.362 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.797 ' OH ' HD11 ' A' ' 44' ' ' ILE . 53.5 m-85 -140.94 113.47 8.13 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.448 1.092 . . . . 72.34 111.03 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.729 HD11 ' HB3' ' A' ' 28' ' ' ARG . 35.4 tp -100.62 78.15 1.96 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.344 1.028 . . . . 74.33 109.315 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.709 HG21 ' HE2' ' A' ' 91' ' ' MET . 16.4 m -72.79 153.17 91.32 Favored Pre-proline 0 C--N 1.324 -0.531 0 O-C-N 124.472 1.107 . . . . 63.4 109.262 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 178.48 7.19 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.49 1.784 . . . . 72.44 111.005 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.509 ' HB1' ' HB2' ' A' ' 92' ' ' SER . . . -90.71 18.66 6.17 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.497 1.123 . . . . 72.45 109.3 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.444 ' N ' ' OD1' ' A' ' 54' ' ' ASP . 0.0 OUTLIER -120.65 -38.84 2.81 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.521 1.138 . . . . 72.41 109.253 -179.922 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.823 HD13 ' HB1' ' B' ' 630' ' ' ALA . 0.5 OUTLIER -59.55 132.87 55.3 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.517 1.135 . . . . 73.35 109.249 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.574 HG22 ' CD1' ' A' ' 90' ' ' LEU . 3.0 p -91.93 -173.45 3.49 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.473 1.108 . . . . 33.54 110.31 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 2.8 t -74.41 -42.37 49.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 60.44 109.271 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -73.5 -5.74 68.76 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.505 1.128 . . . . 73.23 111.045 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.426 ' CB ' ' HG ' ' A' ' 55' ' ' LEU . 4.5 mm100 -98.18 -24.43 15.28 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.552 0.795 . . . . 74.53 110.265 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 1.04 ' CE1' HD11 ' A' ' 64' ' ' ILE . 1.6 t80 -79.23 -40.26 31.09 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.516 1.135 . . . . 73.03 111.031 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.783 HG13 ' CG2' ' A' ' 76' ' ' ILE . 88.3 t -53.66 -31.53 19.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 73.01 109.325 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.569 ' CE1' ' HD2' ' A' ' 66' ' ' LYS . 0.1 OUTLIER -59.11 -30.85 68.42 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.515 1.134 . . . . 74.54 111.057 179.942 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.517 HG21 ' C ' ' B' ' 630' ' ' ALA . 18.1 t -84.0 -46.06 18.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.13 . . . . 65.32 109.306 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 1.04 HD11 ' CE1' ' A' ' 60' ' ' PHE . 15.0 mm -60.61 -30.4 46.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 74.05 109.237 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 7.4 tpp85 -83.62 -3.44 57.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.397 1.061 . . . . 63.25 110.331 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.569 ' HD2' ' CE1' ' A' ' 62' ' ' TYR . 6.3 mttp -93.38 -49.1 6.1 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.522 1.138 . . . . 71.45 109.327 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 2.5 mmp_? -49.86 -66.14 0.44 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.541 1.151 . . . . 74.15 110.359 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.512 ' O ' ' CG ' ' A' ' 69' ' ' MET . 5.9 pt -73.68 -4.46 5.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.151 . . . . 74.21 109.231 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.512 ' CG ' ' O ' ' A' ' 68' ' ' ILE . 2.7 ptt? 42.97 44.05 3.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 64.34 110.935 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.448 HD12 ' HA ' ' A' ' 70' ' ' LEU . 5.0 tp -50.36 141.03 16.86 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.663 1.227 . . . . 62.43 109.294 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 167.8 26.23 Favored 'Trans proline' 0 C--N 1.361 1.213 0 O-C-N 124.392 1.733 . . . . 75.31 110.998 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 0.77 8.53 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.525 1.803 . . . . 73.31 110.996 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -97.99 2.64 49.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.143 . . . . 75.11 110.292 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -125.19 -178.94 4.37 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.514 1.134 . . . . 74.24 109.322 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -140.03 174.56 10.39 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.564 1.165 . . . . 54.01 109.318 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.783 ' CG2' HG13 ' A' ' 61' ' ' VAL . 1.2 tt -159.36 128.41 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.565 1.165 . . . . 71.13 109.315 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.751 ' HB3' HD11 ' A' ' 84' ' ' LEU . 58.6 m-85 -126.8 133.36 50.82 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.515 1.135 . . . . 70.23 110.98 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.598 HG23 ' CG2' ' A' ' 107' ' ' VAL . 5.2 mm -85.36 128.21 39.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.579 1.174 . . . . 70.04 109.328 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . 0.593 ' CE2' ' O ' ' A' ' 114' ' ' THR . 4.0 m-85 -118.76 120.21 36.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 63.12 110.999 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.771 HG22 ' ND2' ' A' ' 81' ' ' ASN . 9.1 p -121.39 106.33 18.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.384 1.052 . . . . 75.21 109.284 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . 0.771 ' ND2' HG22 ' A' ' 80' ' ' VAL . 7.0 m-80 73.31 34.32 1.02 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 74.42 109.339 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 67.04 10.98 8.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 75.13 109.262 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.514 ' O ' ' CG2' ' A' ' 83' ' ' THR . 0.5 OUTLIER -121.71 110.8 16.39 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 74.25 110.417 -179.958 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.751 HD11 ' HB3' ' A' ' 77' ' ' PHE . 0.5 OUTLIER -73.66 113.91 27.22 Favored Pre-proline 0 C--N 1.326 -0.416 0 O-C-N 124.546 1.154 . . . . 64.22 109.311 -179.949 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 162.72 36.73 Favored 'Trans proline' 0 C--N 1.361 1.218 0 O-C-N 124.529 1.805 . . . . 73.14 111.012 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . 0.655 ' HG2' ' HB2' ' A' ' 89' ' ' ALA . 18.5 Cg_endo -75.02 -165.29 0.28 Allowed 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.455 1.766 . . . . 70.44 110.984 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 2.3 p -97.26 -34.37 11.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.14 . . . . 62.41 110.378 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -86.05 12.99 8.36 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 71.44 109.349 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 1.003 ' HB1' HD11 ' A' ' 94' ' ' ILE . . . -83.04 61.67 6.15 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.511 1.132 . . . . 73.43 109.214 -179.863 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.595 ' C ' ' O ' ' A' ' 89' ' ' ALA . 0.5 OUTLIER -23.73 117.09 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.59 1.181 . . . . 71.21 109.32 179.955 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . 0.709 ' HE2' HG21 ' A' ' 51' ' ' VAL . 46.4 mmm -47.85 -22.93 0.63 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.397 1.061 . . . . 71.21 110.975 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . 0.509 ' HB2' ' HB1' ' A' ' 53' ' ' ALA . 0.1 OUTLIER -69.92 -41.81 74.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.128 . . . . 61.22 110.055 179.913 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -81.7 -7.9 59.64 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.462 1.101 . . . . 70.44 109.329 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 1.003 HD11 ' HB1' ' A' ' 89' ' ' ALA . 21.2 mm -87.19 -49.03 15.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.115 . . . . 61.53 109.238 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . 0.851 ' CD2' HD23 ' A' ' 105' ' ' LEU . 7.8 t80 -69.97 -6.11 30.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 52.14 111.033 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . 0.451 ' O ' ' CG ' ' A' ' 96' ' ' GLN . 4.5 tp60 -101.64 -9.72 20.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.577 1.173 . . . . 73.33 110.244 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -118.69 -9.3 10.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 70.13 110.277 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . 0.478 ' HD2' HG23 ' A' ' 94' ' ' ILE . 39.5 m-70 -128.28 17.54 6.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.445 1.09 . . . . 62.03 109.51 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.482 ' HB3' ' O ' ' A' ' 95' ' ' TYR . 0.0 OUTLIER -56.38 159.58 3.56 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.484 1.115 . . . . 60.42 109.298 179.973 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -127.9 173.48 9.97 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 64.51 109.327 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -60.88 -29.73 69.72 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.528 1.142 . . . . 74.24 109.214 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -86.58 -14.66 42.19 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.434 1.084 . . . . 52.35 109.297 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . 0.576 ' O ' ' CE2' ' A' ' 95' ' ' TYR . . . 87.71 -39.27 3.11 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.515 1.134 . . . . 42.14 111.003 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . 0.594 ' CD2' ' OG ' ' A' ' 18' ' ' SER . 9.5 m-85 -60.1 117.52 5.22 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.554 0.796 . . . . 73.23 111.048 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.851 HD23 ' CD2' ' A' ' 95' ' ' TYR . 0.2 OUTLIER -61.62 160.78 10.84 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.535 1.147 . . . . 74.42 109.294 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . 0.532 ' CE1' ' NZ ' ' A' ' 6' ' ' LYS . 52.4 m-85 -137.72 116.3 12.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.583 1.177 . . . . 64.4 110.921 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.642 HG23 ' N ' ' A' ' 108' ' ' THR . 1.7 m -122.9 174.58 6.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.545 1.153 . . . . 71.32 109.342 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . 0.665 HG23 ' HB3' ' A' ' 34' ' ' GLU . 1.1 m -148.97 106.89 3.69 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.512 1.132 . . . . 74.21 110.356 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' TYR . . . . . 0.726 ' CD1' HD11 ' A' ' 76' ' ' ILE . 14.8 p90 -94.81 122.42 37.41 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.593 1.183 . . . . 63.54 111.029 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -136.06 154.22 51.1 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.436 1.085 . . . . 73.5 109.959 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -77.7 2.13 64.77 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.531 1.144 . . . . 54.34 110.962 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -121.56 135.05 55.03 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.465 0.744 . . . . 65.25 110.321 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 20.4 t-20 -85.9 49.65 1.82 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.462 1.101 . . . . 71.13 109.302 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . 0.689 HG22 ' H ' ' A' ' 115' ' ' PHE . 4.3 m -122.23 -171.82 2.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 73.22 110.396 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . 0.689 ' H ' HG22 ' A' ' 114' ' ' THR . 2.9 p90 -113.45 97.29 6.37 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.411 1.069 . . . . 74.33 111.029 -179.898 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.928 0 O-C-N 124.419 1.074 . . . . 63.52 111.016 -179.89 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 597' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.056 0 N-CA-C 110.99 -0.844 . . . . 75.34 110.99 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 598' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 177.84 8.07 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.527 1.803 . . . . 62.55 111.02 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 599' ' ' HIS . . . . . 0.403 ' CD2' ' OE1' ' B' ' 610' ' ' GLU . 12.7 t60 -153.3 175.56 12.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 61.33 109.563 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 600' ' ' MET . . . . . 0.897 ' C ' HD13 ' B' ' 601' ' ' ILE . 0.0 OUTLIER -119.43 159.77 23.61 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.468 1.105 . . . . 71.31 111.004 179.903 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 601' ' ' ILE . . . . . 0.897 HD13 ' C ' ' B' ' 600' ' ' MET . 1.9 mm -117.48 155.42 19.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 72.44 109.323 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 602' ' ' SER . . . . . . . . . . . . . 3.9 m 178.63 149.35 0.22 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.555 1.159 . . . . 55.44 109.978 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 603' ' ' GLY . . . . . . . . . . . . . . . 62.5 137.27 0.01 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.543 1.152 . . . . 71.31 110.995 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 604' ' ' LEU . . . . . 0.944 HD12 ' HE3' ' B' ' 608' ' ' LYS . 1.9 tp -120.87 87.15 2.7 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.444 0.732 . . . . 63.33 109.322 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 605' ' ' SER . . . . . . . . . . . . . 80.5 p -112.75 -29.46 7.41 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.462 1.101 . . . . 73.05 109.986 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 606' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -144.12 -172.07 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.509 1.131 . . . . 74.11 109.288 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 607' ' ' ILE . . . . . . . . . . . . . 42.7 mm -57.31 155.23 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.424 1.077 . . . . 71.45 109.317 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 608' ' ' LYS . . . . . 0.944 ' HE3' HD12 ' B' ' 604' ' ' LEU . 0.0 OUTLIER -106.09 115.2 29.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.552 1.158 . . . . 71.52 109.31 -179.954 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 609' ' ' GLN . . . . . . . . . . . . . 11.9 mt-30 -121.13 -2.26 9.67 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.527 1.142 . . . . 75.51 110.259 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 610' ' ' GLU . . . . . 0.893 ' HB2' HD12 ' B' ' 601' ' ' ILE . 63.6 mm-40 -70.99 -173.68 0.84 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.471 1.107 . . . . 74.31 110.347 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 611' ' ' VAL . . . . . 0.538 ' C ' HD11 ' B' ' 601' ' ' ILE . 0.1 OUTLIER -120.5 127.48 75.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.435 1.084 . . . . 74.53 109.315 179.971 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 612' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -108.03 -56.17 2.27 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.454 1.096 . . . . 72.22 110.283 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 613' ' ' ARG . . . . . 0.446 ' NH1' ' O ' ' A' ' 45' ' ' ASP . 0.9 OUTLIER -117.89 -9.84 10.55 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 71.31 110.291 179.969 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 614' ' ' LEU . . . . . 0.959 HD12 ' HG2' ' A' ' 8' ' ' GLU . 0.5 OUTLIER -110.18 -172.5 2.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 75.01 109.381 179.899 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 615' ' ' GLY . . . . . 0.407 ' N ' ' HG2' ' B' ' 620' ' ' GLU . . . -143.76 -164.95 10.61 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.568 1.168 . . . . 55.23 111.032 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 616' ' ' ASN . . . . . . . . . . . . . 18.7 t30 -40.41 -40.88 1.28 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 0.76 . . . . 73.32 109.283 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 617' ' ' ASP . . . . . 0.444 ' C ' ' N ' ' B' ' 619' ' ' PHE . 19.5 m-20 -108.61 124.64 50.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.607 1.192 . . . . 64.21 109.245 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 618' ' ' VAL . . . . . 0.535 HG12 ' CE1' ' A' ' 9' ' ' TYR . 0.2 OUTLIER -40.53 -29.85 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.448 1.093 . . . . 73.24 109.286 179.932 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 619' ' ' PHE . . . . . 0.444 ' N ' ' C ' ' B' ' 617' ' ' ASP . 12.5 m-30 -102.77 89.83 3.61 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.152 . . . . 72.23 110.992 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 620' ' ' GLU . . . . . 0.447 ' CD ' ' N ' ' B' ' 621' ' ' TRP . 1.9 pp20? -123.76 -41.72 2.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 53.42 110.285 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 621' ' ' TRP . . . . . 0.563 ' CZ2' ' HE3' ' A' ' 46' ' ' LYS . 2.2 p90 -66.66 171.67 4.94 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 107.955 -1.128 . . . . 73.32 107.955 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 622' ' ' GLU . . . . . 0.41 ' O ' ' CG ' ' B' ' 623' ' ' ASP . 13.2 pt-20 -48.15 176.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 64.15 110.302 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 623' ' ' ASP . . . . . 0.455 ' OD1' ' NE1' ' B' ' 621' ' ' TRP . 4.1 p30 45.7 48.09 11.61 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.625 1.203 . . . . 72.32 109.307 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 624' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -40.89 -69.86 0.12 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.438 1.086 . . . . 63.21 109.276 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 625' ' ' GLU . . . . . 0.41 ' O ' ' C ' ' B' ' 626' ' ' SER . 0.4 OUTLIER -121.46 3.64 10.22 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.475 1.11 . . . . 75.1 110.33 179.956 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 626' ' ' SER . . . . . 0.41 ' C ' ' O ' ' B' ' 625' ' ' GLU . 5.1 p -37.75 147.35 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.474 1.109 . . . . 72.44 110.09 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 627' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -80.41 2.56 24.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.408 1.068 . . . . 61.45 109.293 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 628' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -60.79 -19.4 59.36 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.54 1.15 . . . . 70.04 110.26 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 629' ' ' ILE . . . . . 0.491 ' CD1' ' C ' ' B' ' 629' ' ' ILE . 0.6 OUTLIER -91.99 31.94 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 61.41 109.255 -179.952 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 630' ' ' ALA . . . . . 0.823 ' HB1' HD13 ' A' ' 55' ' ' LEU . . . . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.484 1.115 . . . . 73.25 109.278 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 0' ' ' HIS . . . . . . . . . . . . . 3.0 p80 . . . . . 0 N--CA 1.452 -0.344 0 N-CA-C 109.609 -0.515 . . . . 72.51 109.609 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 71.7 mtp -76.85 -177.91 4.6 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.538 1.149 . . . . 71.22 111.009 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.411 ' NZ ' ' HB3' ' A' ' 37' ' ' GLU . 19.9 mttt -135.62 -49.55 0.71 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.592 1.183 . . . . 64.1 109.274 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.468 ' OG ' ' CZ ' ' A' ' 47' ' ' ARG . 49.8 m -75.42 136.29 40.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 61.21 110.071 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.466 ' OG1' ' N ' ' A' ' 5' ' ' PHE . 6.0 p -127.48 -58.69 1.25 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.536 1.148 . . . . 74.44 110.413 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.766 ' CZ ' HG12 ' B' ' 618' ' ' VAL . 83.4 t80 -81.66 -15.89 53.1 Favored 'General case' 0 C--N 1.323 -0.577 0 O-C-N 124.572 1.17 . . . . 75.11 110.989 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.701 ' HB3' HH21 ' A' ' 47' ' ' ARG . 0.1 OUTLIER -101.1 -28.96 12.41 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.597 1.186 . . . . 72.11 109.32 179.955 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -81.36 4.79 19.49 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.551 1.157 . . . . 63.35 109.894 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.483 ' OE1' HD12 ' B' ' 614' ' ' LEU . 51.5 tt0 -81.86 -58.74 2.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.564 1.165 . . . . 75.05 110.322 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.614 ' OH ' ' CZ ' ' A' ' 5' ' ' PHE . 1.3 p90 -120.45 165.78 17.32 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.443 1.089 . . . . 62.13 110.967 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 179.48 6.05 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.49 1.784 . . . . 44.44 111.027 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.459 ' CE2' ' HB3' ' A' ' 102' ' ' ASP . 2.9 t80 -68.8 -43.73 75.03 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.456 1.097 . . . . 73.12 110.968 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -58.05 -16.0 11.31 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.425 1.078 . . . . 72.25 110.269 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 6.4 tppt? -95.72 -48.0 5.96 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.594 1.184 . . . . 72.31 109.365 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.662 ' NH1' ' CE1' ' A' ' 104' ' ' PHE . 0.0 OUTLIER -64.2 -24.44 67.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.455 1.097 . . . . 72.4 110.326 179.975 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.412 ' N ' ' HG3' ' A' ' 14' ' ' ARG . 53.5 pttt -74.14 -44.31 54.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.587 1.179 . . . . 63.02 109.358 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -57.28 -22.0 38.59 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.445 1.091 . . . . 52.13 109.264 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.405 ' HA ' ' OE1' ' A' ' 17' ' ' GLU . 5.1 tp10 -72.51 -47.59 47.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.096 . . . . 64.25 110.317 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.509 ' HB3' ' CE1' ' A' ' 104' ' ' PHE . 11.3 p -68.03 -11.36 58.81 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.538 1.149 . . . . 73.4 109.947 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -77.48 -26.09 51.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.564 1.165 . . . . 72.31 110.298 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 54.4 mtm180 -101.96 -33.68 9.65 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.479 1.112 . . . . 74.03 110.292 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 6.9 mt -59.82 -22.07 23.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.65 1.219 . . . . 70.13 109.318 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -77.95 -22.42 49.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 53.32 109.398 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -95.87 -14.15 23.4 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 74.04 109.341 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.421 ' CZ ' ' CZ ' ' A' ' 25' ' ' PHE . 10.1 mtm180 -97.67 -59.66 1.73 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 72.2 110.343 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.421 ' CZ ' ' CZ ' ' A' ' 24' ' ' ARG . 3.5 m-85 -126.15 85.3 59.98 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 64.32 111.045 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -26.81 10.67 Favored 'Trans proline' 0 C--N 1.359 1.102 0 O-C-N 124.528 1.804 . . . . 74.2 111.002 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 12.0 p30 -92.07 36.06 0.98 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.534 1.146 . . . . 72.44 109.323 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.553 ' HB3' HD11 ' A' ' 50' ' ' LEU . 4.1 mmt85 -122.54 175.78 6.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 75.13 110.254 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.654 HG23 ' CB ' ' A' ' 95' ' ' TYR . 28.3 mm -144.51 96.41 5.24 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 73.21 109.282 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.448 ' O ' ' HB2' ' A' ' 105' ' ' LEU . 18.6 Cg_endo -75.05 142.34 27.58 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.463 1.77 . . . . 64.02 111.029 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.859 HG23 ' HB3' ' A' ' 105' ' ' LEU . 6.3 p -161.58 147.35 4.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.13 . . . . 75.34 109.304 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.739 HG23 ' O ' ' A' ' 47' ' ' ARG . 16.0 mm -113.12 114.61 47.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.485 1.116 . . . . 65.24 109.296 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.462 ' SG ' HG22 ' A' ' 107' ' ' VAL . 1.2 t -89.17 143.99 26.44 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 43.2 108.285 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.98 ' HB3' HG23 ' A' ' 108' ' ' THR . 49.2 tt0 -133.22 154.22 50.85 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.462 1.101 . . . . 74.13 110.287 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.572 ' HG2' ' CE2' ' A' ' 109' ' ' TYR . 0.0 OUTLIER -99.24 125.43 44.85 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.474 1.109 . . . . 74.11 109.291 179.979 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.794 ' HB1' ' C ' ' A' ' 116' ' ' GLY . . . -60.73 142.29 56.01 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.541 1.151 . . . . 61.54 109.293 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.425 ' CG ' ' N ' ' A' ' 38' ' ' LYS . 14.8 pt-20 -68.02 -52.64 33.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.462 1.101 . . . . 72.1 110.258 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.559 ' HZ3' ' HA2' ' A' ' 116' ' ' GLY . 40.1 mttp -55.62 -35.71 66.17 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.546 1.154 . . . . 70.13 109.276 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.618 ' HB2' ' HB3' ' A' ' 36' ' ' ALA . 8.6 t -39.36 156.23 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.451 1.094 . . . . 61.22 109.986 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -116.09 10.24 14.96 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.543 1.152 . . . . 65.12 109.271 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.56 HD11 ' CE2' ' A' ' 109' ' ' TYR . 0.1 OUTLIER -91.28 164.24 25.7 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.447 1.092 . . . . 75.43 109.376 179.952 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 129.79 12.67 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.484 1.781 . . . . 64.4 111.002 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -49.24 171.07 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.625 1.203 . . . . 74.43 110.319 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.507 HD12 ' OH ' ' A' ' 49' ' ' TYR . 3.5 tt -102.77 163.59 3.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.109 . . . . 73.53 109.301 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.447 ' N ' ' CG1' ' A' ' 44' ' ' ILE . 0.9 OUTLIER -54.77 -59.67 4.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 74.13 109.377 179.981 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.649 ' NZ ' ' CZ2' ' B' ' 621' ' ' TRP . 0.0 OUTLIER -150.06 178.52 8.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 72.31 109.321 179.936 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.739 ' O ' HG23 ' A' ' 32' ' ' ILE . 2.7 mtm180 -107.87 93.38 4.51 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.505 1.128 . . . . 73.31 110.308 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.53 ' HB2' ' CD2' ' A' ' 5' ' ' PHE . 1.1 tptt -168.2 123.62 0.99 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.558 1.161 . . . . 65.41 109.269 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.698 ' CE2' HD13 ' A' ' 64' ' ' ILE . 33.5 m-85 -149.37 110.57 4.4 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.551 1.157 . . . . 72.34 111.009 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.553 HD11 ' HB3' ' A' ' 28' ' ' ARG . 12.1 tp -103.0 76.67 1.49 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.148 . . . . 74.33 109.296 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.939 HG21 ' SD ' ' A' ' 91' ' ' MET . 5.9 m -76.55 153.12 83.6 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.12 . . . . 63.4 109.287 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -178.39 4.14 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.476 1.777 . . . . 72.44 110.96 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -92.73 18.02 9.48 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.453 1.096 . . . . 72.45 109.293 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -119.98 -38.73 2.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.544 1.153 . . . . 72.41 109.242 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.854 HD23 ' HB1' ' B' ' 630' ' ' ALA . 0.0 OUTLIER -58.29 133.52 55.76 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.448 1.092 . . . . 73.35 109.324 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.511 ' N ' HD12 ' A' ' 55' ' ' LEU . 0.1 OUTLIER -98.86 -170.72 1.97 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.44 1.088 . . . . 33.54 110.412 179.959 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 2.8 t -75.4 -62.98 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 60.44 109.289 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -53.48 -18.51 7.52 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.598 1.186 . . . . 73.23 111.032 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.538 ' HB2' ' CD1' ' A' ' 55' ' ' LEU . 31.5 mt-30 -97.22 -24.98 15.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.544 0.79 . . . . 74.53 110.276 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.623 ' CZ ' HD11 ' A' ' 64' ' ' ILE . 34.3 t80 -69.05 -36.86 78.17 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.458 1.099 . . . . 73.03 111.042 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.741 HG13 ' CG2' ' A' ' 76' ' ' ILE . 94.2 t -56.43 -45.44 81.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 73.01 109.308 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.592 ' CD1' ' O ' ' A' ' 62' ' ' TYR . 0.1 OUTLIER -45.92 -25.58 0.56 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.551 1.157 . . . . 74.54 111.025 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.815 HG21 ' C ' ' B' ' 630' ' ' ALA . 54.4 t -86.65 -36.75 10.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 O-C-N 124.594 1.184 . . . . 65.32 109.215 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.698 HD13 ' CE2' ' A' ' 49' ' ' TYR . 35.4 mm -64.56 -45.7 94.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.561 1.163 . . . . 74.05 109.306 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.474 ' CD ' ' HB3' ' A' ' 70' ' ' LEU . 6.2 tpp85 -68.07 -8.3 36.73 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.477 1.111 . . . . 63.25 110.237 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.574 ' HD2' ' CE1' ' A' ' 62' ' ' TYR . 9.2 mttp -88.73 -40.2 13.41 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.447 1.092 . . . . 71.45 109.321 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -59.23 -39.93 84.31 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.552 1.158 . . . . 74.15 110.323 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.449 HD11 ' CD1' ' A' ' 76' ' ' ILE . 2.8 pt -104.29 3.15 10.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.528 1.143 . . . . 74.21 109.301 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.419 ' CG ' ' O ' ' A' ' 68' ' ' ILE . 3.7 ptp 40.71 29.09 0.06 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.445 1.09 . . . . 64.34 111.001 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.474 ' HB3' ' CD ' ' A' ' 65' ' ' ARG . 5.6 tp -49.29 140.34 12.95 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 62.43 109.32 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.435 ' HD3' ' HA ' ' A' ' 70' ' ' LEU . 18.6 Cg_endo -74.89 170.3 20.7 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.463 1.77 . . . . 75.31 111.101 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 -1.73 11.61 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.441 1.758 . . . . 73.31 111.046 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -83.95 -0.04 49.83 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.452 1.095 . . . . 75.11 110.247 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 18.4 mttp -127.41 -178.96 4.66 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.485 1.116 . . . . 74.24 109.27 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -138.05 163.67 31.02 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.434 1.084 . . . . 54.01 109.339 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.741 ' CG2' HG13 ' A' ' 61' ' ' VAL . 2.3 tt -154.31 134.47 4.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.432 1.083 . . . . 71.13 109.316 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.721 ' HB3' HD11 ' A' ' 84' ' ' LEU . 31.3 m-85 -133.68 135.1 43.86 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.584 1.177 . . . . 70.23 110.939 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.6 ' CG2' HG21 ' A' ' 107' ' ' VAL . 3.6 mm -86.57 121.93 38.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 70.04 109.211 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . 0.597 ' CE2' ' O ' ' A' ' 114' ' ' THR . 4.9 m-85 -112.88 125.04 53.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 63.12 110.951 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.456 HG11 ' CD2' ' A' ' 98' ' ' HIS . 2.1 t -120.09 109.47 26.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.496 1.123 . . . . 75.21 109.327 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . 0.487 ' O ' ' CB ' ' A' ' 82' ' ' ASP . 2.1 m-80 70.44 17.95 6.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.13 . . . . 74.42 109.301 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . 0.487 ' CB ' ' O ' ' A' ' 81' ' ' ASN . 3.2 m-20 80.66 27.22 0.25 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 75.13 109.298 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.487 ' O ' ' CG2' ' A' ' 83' ' ' THR . 0.6 OUTLIER -136.6 113.82 10.69 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.454 1.096 . . . . 74.25 110.335 -179.952 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.721 HD11 ' HB3' ' A' ' 77' ' ' PHE . 0.3 OUTLIER -73.79 113.88 27.18 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.484 1.115 . . . . 64.22 109.292 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 170.59 20.08 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.505 1.792 . . . . 73.14 110.977 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . 0.654 ' HD2' ' HB2' ' A' ' 89' ' ' ALA . 18.3 Cg_endo -75.09 -169.32 0.62 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.554 1.818 . . . . 70.44 110.935 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 3.9 p -93.87 -34.13 13.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.56 1.163 . . . . 62.41 110.354 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -84.38 8.76 15.13 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.549 1.155 . . . . 71.44 109.273 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.988 ' HB1' HD11 ' A' ' 94' ' ' ILE . . . -75.72 61.02 1.34 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 73.43 109.308 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.531 ' C ' ' O ' ' A' ' 89' ' ' ALA . 0.4 OUTLIER -29.69 117.61 0.13 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.589 1.181 . . . . 71.21 109.321 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . 0.939 ' SD ' HG21 ' A' ' 51' ' ' VAL . 0.5 OUTLIER -36.62 -31.18 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.54 1.15 . . . . 71.21 110.962 -179.923 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . 0.469 ' N ' ' O ' ' A' ' 90' ' ' LEU . 1.5 t -64.69 -56.81 11.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 61.22 110.033 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.412 ' N ' ' O ' ' A' ' 90' ' ' LEU . . . -60.97 -15.06 27.23 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.52 1.138 . . . . 70.44 109.275 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.988 HD11 ' HB1' ' A' ' 89' ' ' ALA . 28.0 mm -90.27 -37.75 10.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 61.53 109.321 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . 0.654 ' CB ' HG23 ' A' ' 29' ' ' ILE . 5.9 t80 -79.07 -4.24 49.23 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 52.14 111.017 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . 0.459 ' O ' ' CG ' ' A' ' 96' ' ' GLN . 6.8 tp60 -104.41 -9.17 18.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.546 1.154 . . . . 73.33 110.264 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -120.69 -7.06 9.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.566 1.166 . . . . 70.13 110.294 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . 0.687 ' HB2' HD11 ' A' ' 105' ' ' LEU . 14.6 m-70 -123.94 11.78 9.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.443 1.089 . . . . 62.03 109.578 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.514 ' HB3' ' O ' ' A' ' 95' ' ' TYR . 0.1 OUTLIER -64.94 154.87 36.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.146 . . . . 60.42 109.28 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . 0.438 ' O ' ' N ' ' A' ' 103' ' ' GLY . 1.2 m-20 -120.97 175.46 6.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.449 1.093 . . . . 64.51 109.342 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 12.9 mtpt -48.59 -38.27 20.28 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.551 1.157 . . . . 74.24 109.29 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . 0.459 ' HB3' ' CE2' ' A' ' 11' ' ' PHE . 2.0 p30 -76.55 -28.96 56.49 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.491 1.119 . . . . 52.35 109.279 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . 0.438 ' N ' ' O ' ' A' ' 100' ' ' ASP . . . 104.96 -39.27 2.9 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.475 1.109 . . . . 42.14 111.011 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . 0.662 ' CE1' ' NH1' ' A' ' 14' ' ' ARG . 9.7 m-85 -55.41 142.49 32.34 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.528 0.781 . . . . 73.23 110.92 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.859 ' HB3' HG23 ' A' ' 31' ' ' VAL . 0.2 OUTLIER -85.09 161.95 19.48 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.534 1.146 . . . . 74.42 109.218 -179.969 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 57.1 m-85 -145.53 107.26 4.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 64.4 110.962 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.7 HG23 ' N ' ' A' ' 108' ' ' THR . 1.9 m -117.34 179.55 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.413 1.071 . . . . 71.32 109.361 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . 0.98 HG23 ' HB3' ' A' ' 34' ' ' GLU . 0.7 OUTLIER -152.52 112.32 3.96 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 74.21 110.404 179.965 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' TYR . . . . . 0.69 ' CD2' HD11 ' A' ' 76' ' ' ILE . 25.9 p90 -94.89 132.57 39.57 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.406 1.066 . . . . 63.54 111.065 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . 0.512 ' OG ' ' HB2' ' A' ' 36' ' ' ALA . 0.7 OUTLIER -131.9 152.52 50.99 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.414 1.071 . . . . 73.5 110.024 179.956 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . 0.466 ' HA3' ' CG2' ' A' ' 41' ' ' ILE . . . -60.6 -46.18 94.91 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.518 1.136 . . . . 54.34 110.957 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 24.0 pt-20 -90.13 161.33 15.82 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.517 0.774 . . . . 65.25 110.261 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . 0.495 HD21 HD22 ' A' ' 84' ' ' LEU . 25.9 t-20 -89.06 45.03 1.25 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 71.13 109.302 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . 0.682 HG22 ' H ' ' A' ' 115' ' ' PHE . 4.9 m -118.51 -173.38 2.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.551 1.157 . . . . 73.22 110.452 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . 0.682 ' H ' HG22 ' A' ' 114' ' ' THR . 5.0 p90 -111.03 97.03 6.51 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.421 1.076 . . . . 74.33 110.982 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . 0.794 ' C ' ' HB1' ' A' ' 36' ' ' ALA . . . . . . . . 0 CA--C 1.53 0.999 0 O-C-N 124.549 1.156 . . . . 63.52 110.99 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 597' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.937 0 N-CA-C 111.098 -0.801 . . . . 75.34 111.098 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 598' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 177.3 8.76 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.458 1.767 . . . . 62.55 110.988 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 599' ' ' HIS . . . . . . . . . . . . . 29.9 m170 -118.76 146.67 44.6 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.111 . . . . 61.33 109.582 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 600' ' ' MET . . . . . . . . . . . . . 2.2 tpt -129.0 21.85 5.78 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.44 1.087 . . . . 71.31 111.036 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 601' ' ' ILE . . . . . 0.622 HD12 ' CD ' ' B' ' 610' ' ' GLU . 9.8 mm -61.3 109.75 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.439 1.087 . . . . 72.44 109.36 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 602' ' ' SER . . . . . . . . . . . . . 41.2 p -176.11 116.78 0.13 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.108 . . . . 55.44 109.968 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 603' ' ' GLY . . . . . . . . . . . . . . . 133.18 -91.52 0.26 Allowed Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.487 1.117 . . . . 71.31 110.991 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 604' ' ' LEU . . . . . 0.768 HD21 ' OE1' ' B' ' 609' ' ' GLN . 11.4 tp -40.53 120.17 1.21 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.454 0.738 . . . . 63.33 109.282 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 605' ' ' SER . . . . . . . . . . . . . 1.4 p -102.26 -23.99 13.94 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.623 1.202 . . . . 73.05 109.93 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 606' ' ' VAL . . . . . 0.733 HG12 HD11 ' B' ' 604' ' ' LEU . 2.3 p -65.42 -173.57 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.545 1.153 . . . . 74.11 109.304 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 607' ' ' ILE . . . . . 0.725 ' H ' HG22 ' B' ' 606' ' ' VAL . 8.1 mm -40.54 132.38 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.427 1.079 . . . . 71.45 109.293 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 608' ' ' LYS . . . . . . . . . . . . . 11.9 ptpt -61.72 95.47 0.05 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.142 . . . . 71.52 109.371 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 609' ' ' GLN . . . . . 0.768 ' OE1' HD21 ' B' ' 604' ' ' LEU . 4.7 mp0 -82.99 -1.42 52.55 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 75.51 110.31 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 610' ' ' GLU . . . . . 0.622 ' CD ' HD12 ' B' ' 601' ' ' ILE . 53.0 mm-40 -46.46 172.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.573 1.171 . . . . 74.31 110.277 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 611' ' ' VAL . . . . . 0.739 HG23 ' O ' ' B' ' 611' ' ' VAL . 11.9 m -113.24 78.72 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.494 1.121 . . . . 74.53 109.328 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 612' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -43.78 -57.22 3.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 72.22 110.292 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 613' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.37 -44.43 0.92 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.481 1.113 . . . . 71.31 110.294 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 614' ' ' LEU . . . . . 0.535 ' O ' HD12 ' B' ' 614' ' ' LEU . 1.4 pp -122.01 139.15 54.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.125 . . . . 75.01 109.23 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 615' ' ' GLY . . . . . 0.473 ' HA3' HG12 ' B' ' 611' ' ' VAL . . . -173.58 -38.37 0.04 OUTLIER Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.521 1.138 . . . . 55.23 110.959 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 616' ' ' ASN . . . . . . . . . . . . . 62.2 t30 -58.01 106.16 0.34 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.473 0.749 . . . . 73.32 109.286 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 617' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 59.9 25.46 14.59 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 64.21 109.357 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 618' ' ' VAL . . . . . 0.766 HG12 ' CZ ' ' A' ' 5' ' ' PHE . 2.1 t 59.81 17.8 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.547 1.155 . . . . 73.24 109.308 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 619' ' ' PHE . . . . . 0.496 ' CG ' ' O ' ' B' ' 618' ' ' VAL . 20.0 m-85 -168.11 116.52 0.74 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.1 . . . . 72.23 111.108 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 620' ' ' GLU . . . . . 0.437 ' CD ' ' N ' ' B' ' 621' ' ' TRP . 1.7 pp20? -129.66 -41.79 1.32 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 53.42 110.263 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 621' ' ' TRP . . . . . 0.649 ' CZ2' ' NZ ' ' A' ' 46' ' ' LYS . 0.5 OUTLIER -63.51 162.98 11.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 73.32 108.024 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 622' ' ' GLU . . . . . 0.599 ' O ' ' CD1' ' B' ' 621' ' ' TRP . 1.6 pt-20 -58.78 -174.49 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.415 1.072 . . . . 64.15 110.26 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 623' ' ' ASP . . . . . 0.401 ' CG ' ' CD ' ' B' ' 628' ' ' GLU . 1.9 m-20 62.12 50.75 3.85 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.42 1.075 . . . . 72.32 109.236 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 624' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -56.32 -65.8 0.54 Allowed 'General case' 0 C--N 1.323 -0.555 0 O-C-N 124.602 1.189 . . . . 63.21 109.272 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 625' ' ' GLU . . . . . 0.419 ' O ' ' C ' ' B' ' 626' ' ' SER . 1.1 pt-20 -115.09 4.49 14.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.45 1.094 . . . . 75.1 110.28 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 626' ' ' SER . . . . . 0.612 ' O ' HD11 ' B' ' 629' ' ' ILE . 11.1 t -37.73 155.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.45 1.094 . . . . 72.44 109.967 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 627' ' ' ASP . . . . . . . . . . . . . 14.5 p-10 -84.77 8.54 16.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.457 1.098 . . . . 61.45 109.303 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 628' ' ' GLU . . . . . 0.401 ' CD ' ' CG ' ' B' ' 623' ' ' ASP . 9.7 pt-20 -73.34 -8.88 57.75 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.432 1.083 . . . . 70.04 110.345 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 629' ' ' ILE . . . . . 0.612 HD11 ' O ' ' B' ' 626' ' ' SER . 1.4 pp -113.01 15.96 8.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.552 1.157 . . . . 61.41 109.247 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 630' ' ' ALA . . . . . 0.854 ' HB1' HD23 ' A' ' 55' ' ' LEU . . . . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 73.25 109.376 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 0' ' ' HIS . . . . . . . . . . . . . 6.2 p80 . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 109.625 -0.509 . . . . 72.51 109.625 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 17.5 mmt -88.92 -173.59 4.15 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.484 1.115 . . . . 71.22 111.056 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 39.2 mttp -135.29 -55.11 0.8 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.561 1.163 . . . . 64.1 109.322 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.411 ' OG ' ' NH1' ' A' ' 47' ' ' ARG . 49.6 m -65.47 174.45 2.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.559 1.162 . . . . 61.21 109.99 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.751 HG21 ' O ' ' A' ' 45' ' ' ASP . 63.9 p -137.37 -78.16 0.39 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.486 1.116 . . . . 74.44 110.357 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.579 ' CD2' ' HD2' ' A' ' 6' ' ' LYS . 25.8 t80 -47.8 -22.4 0.54 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.429 1.081 . . . . 75.11 110.951 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 1.007 ' HZ2' HG21 ' A' ' 32' ' ' ILE . 2.0 mptm? -93.79 -31.84 14.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.144 . . . . 72.11 109.283 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.452 ' N ' ' O ' ' A' ' 4' ' ' THR . 27.6 t -80.4 4.29 18.5 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.553 1.158 . . . . 63.35 110.115 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.48 ' CG ' ' O ' ' B' ' 614' ' ' LEU . 0.0 OUTLIER -85.23 -63.25 1.36 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 75.05 110.302 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.491 ' CD2' ' HE3' ' A' ' 13' ' ' LYS . 0.1 OUTLIER -127.37 174.21 4.54 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 62.13 111.041 179.942 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.442 ' O ' ' C ' ' A' ' 11' ' ' PHE . 18.1 Cg_endo -75.1 147.8 34.05 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.508 1.794 . . . . 44.44 111.002 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.539 ' CE1' ' HB3' ' A' ' 102' ' ' ASP . 0.6 OUTLIER -34.16 -56.05 0.5 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 73.12 110.961 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.505 ' N ' ' CD2' ' A' ' 11' ' ' PHE . 14.6 mp0 -41.6 -56.99 2.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 72.25 110.292 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.491 ' HE3' ' CD2' ' A' ' 9' ' ' TYR . 0.0 OUTLIER -37.81 -41.16 0.5 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.502 1.126 . . . . 72.31 109.281 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.754 HH21 ' HE3' ' A' ' 6' ' ' LYS . 11.2 mtp-105 -69.87 -50.64 40.56 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.584 1.177 . . . . 72.4 110.347 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.426 ' N ' ' O ' ' A' ' 12' ' ' GLU . 14.8 pttt -46.19 -41.38 12.63 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.453 1.096 . . . . 63.02 109.234 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -67.87 -35.63 78.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.589 1.181 . . . . 52.13 109.304 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.867 ' CD ' HG21 ' B' ' 618' ' ' VAL . 16.4 tp10 -65.58 -54.52 26.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.361 1.038 . . . . 64.25 110.292 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.7 t -56.89 -23.45 44.78 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 124.58 1.175 . . . . 73.4 110.002 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 -72.91 -33.33 65.91 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.449 1.093 . . . . 72.31 110.315 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 43.1 mtm180 -91.33 -24.86 19.67 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.534 1.146 . . . . 74.03 110.285 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.456 HD12 ' CZ ' ' A' ' 104' ' ' PHE . 11.8 mt -59.02 -22.03 20.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.429 1.081 . . . . 70.13 109.339 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -78.32 -24.09 46.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 53.32 109.288 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -88.89 -24.86 22.4 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 74.04 109.303 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.9 mtt180 -96.59 -61.96 1.34 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.425 1.078 . . . . 72.2 110.292 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.461 ' CZ ' ' HB3' ' B' ' 625' ' ' GLU . 2.9 m-85 -118.16 78.49 13.64 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.494 1.121 . . . . 64.32 111.035 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -36.43 2.57 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.534 1.807 . . . . 74.2 110.954 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 19.7 m-20 -90.42 40.0 0.99 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.463 1.102 . . . . 72.44 109.271 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.456 ' O ' HD13 ' A' ' 29' ' ' ILE . 6.4 mmt-85 -129.14 -178.74 4.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.146 . . . . 75.13 110.319 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.464 HG23 ' CB ' ' A' ' 95' ' ' TYR . 25.8 mm -141.5 99.51 6.35 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.526 1.142 . . . . 73.21 109.324 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.59 ' HA ' ' CD2' ' A' ' 50' ' ' LEU . 18.3 Cg_endo -74.94 121.42 6.59 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.499 1.789 . . . . 64.02 111.032 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.4 HG12 ' HB2' ' A' ' 105' ' ' LEU . 1.3 m -135.7 173.04 14.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.125 . . . . 75.34 109.322 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 1.007 HG21 ' HZ2' ' A' ' 6' ' ' LYS . 7.0 mm -134.63 103.23 4.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.605 1.191 . . . . 65.24 109.339 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.569 ' HB3' ' CE1' ' A' ' 49' ' ' TYR . 2.1 t -87.23 130.8 34.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.137 . . . . 43.2 108.274 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.408 ' HG3' ' NE ' ' A' ' 47' ' ' ARG . 6.9 tm-20 -145.34 162.33 37.5 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.369 1.043 . . . . 74.13 110.344 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.566 ' HZ3' ' HB3' ' A' ' 39' ' ' SER . 0.0 OUTLIER -101.44 133.25 46.36 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.489 1.118 . . . . 74.11 109.271 -179.968 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.41 ' HB3' ' OG ' ' A' ' 110' ' ' SER . . . -60.55 177.89 0.26 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.53 1.144 . . . . 61.54 109.263 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.449 ' CG ' ' N ' ' A' ' 38' ' ' LYS . 16.5 pt-20 -96.51 -50.76 4.61 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.469 1.106 . . . . 72.1 110.246 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.449 ' N ' ' CG ' ' A' ' 37' ' ' GLU . 53.5 mttm -53.73 -36.5 62.35 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.139 . . . . 70.13 109.343 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.566 ' HB3' ' HZ3' ' A' ' 35' ' ' LYS . 1.1 t -47.49 163.91 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 61.22 109.996 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 23.8 m-20 -127.8 23.31 6.21 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 65.12 109.293 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.589 HD11 ' CE2' ' A' ' 109' ' ' TYR . 0.1 OUTLIER -98.91 166.92 12.2 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.558 1.161 . . . . 75.43 109.347 179.969 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.773 ' O ' HG21 ' A' ' 68' ' ' ILE . 18.2 Cg_endo -75.01 112.43 3.56 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.514 1.797 . . . . 64.4 110.962 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.426 ' HG3' ' CB ' ' A' ' 35' ' ' LYS . 26.4 tt0 -59.21 163.3 3.86 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.524 1.14 . . . . 74.43 110.253 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.5 ' CD1' ' OH ' ' A' ' 49' ' ' TYR . 14.8 tt -83.09 169.66 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.151 . . . . 73.53 109.326 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.751 ' O ' HG21 ' A' ' 4' ' ' THR . 4.9 m-20 -71.43 -47.69 54.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.415 1.072 . . . . 74.13 109.265 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.569 ' HE3' ' CZ2' ' B' ' 621' ' ' TRP . 0.1 OUTLIER -143.36 162.35 35.96 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.146 . . . . 72.31 109.306 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.568 ' O ' HG23 ' A' ' 32' ' ' ILE . 1.4 ptm180 -108.34 94.79 5.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.437 1.085 . . . . 73.31 110.312 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.665 ' NZ ' ' CE1' ' A' ' 104' ' ' PHE . 0.8 OUTLIER -167.82 122.69 1.0 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.389 1.056 . . . . 65.41 109.302 179.97 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.635 ' HE2' HG12 ' A' ' 63' ' ' VAL . 32.0 m-85 -146.88 132.0 18.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 72.34 111.046 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.59 ' CD2' ' HA ' ' A' ' 30' ' ' PRO . 3.3 mt -112.26 77.32 1.03 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 74.33 109.321 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.672 HG11 ' CD1' ' A' ' 60' ' ' PHE . 20.9 m -78.73 148.34 72.59 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.509 1.13 . . . . 63.4 109.296 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 177.02 9.12 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.456 1.766 . . . . 72.44 111.071 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -90.47 18.66 5.96 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.434 1.083 . . . . 72.45 109.3 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 69.1 m-20 -119.85 -38.43 2.96 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.129 . . . . 72.41 109.258 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 1.9 tp -57.24 137.89 55.39 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.427 1.079 . . . . 73.35 109.343 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.514 HG22 ' CD1' ' A' ' 90' ' ' LEU . 1.3 p -95.87 -158.01 0.62 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.547 1.155 . . . . 33.54 110.409 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 2.7 t -87.6 -41.64 14.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 O-C-N 124.491 1.119 . . . . 60.44 109.285 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -73.53 -6.75 71.81 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.489 1.118 . . . . 73.23 110.968 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -98.79 -24.74 14.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.381 0.695 . . . . 74.53 110.262 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.672 ' CD1' HG11 ' A' ' 51' ' ' VAL . 12.2 t80 -78.41 -50.89 10.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 73.03 111.029 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.675 HG13 ' CG2' ' A' ' 76' ' ' ILE . 63.8 t -41.7 -36.1 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.446 1.091 . . . . 73.01 109.314 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -56.65 -52.99 62.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.14 . . . . 74.54 111.124 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.881 HG21 ' C ' ' B' ' 630' ' ' ALA . 77.5 t -60.09 -39.17 79.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 65.32 109.319 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.528 HD12 ' SG ' ' A' ' 33' ' ' CYS . 24.6 mm -66.46 -34.42 70.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 O-C-N 124.476 1.11 . . . . 74.05 109.301 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 4.5 tpp85 -80.68 -3.67 51.53 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.401 1.063 . . . . 63.25 110.325 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 12.2 mttt -89.45 -46.2 8.88 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.531 1.144 . . . . 71.45 109.301 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.495 ' HG3' HD11 ' A' ' 44' ' ' ILE . 2.9 mmp_? -52.95 -59.36 4.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.1 . . . . 74.15 110.369 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.773 HG21 ' O ' ' A' ' 42' ' ' PRO . 6.2 pt -79.98 -4.98 7.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 74.21 109.253 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.495 ' CG ' ' O ' ' A' ' 68' ' ' ILE . 5.9 ptp 42.54 44.14 3.46 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.531 1.145 . . . . 64.34 110.968 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.474 HD12 ' HA ' ' A' ' 70' ' ' LEU . 5.3 tp -61.64 140.53 95.15 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.541 1.151 . . . . 62.43 109.342 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.434 ' HD3' ' HA ' ' A' ' 70' ' ' LEU . 18.4 Cg_endo -75.08 169.74 21.93 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.504 1.792 . . . . 75.31 110.965 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -0.67 10.25 Favored 'Trans proline' 0 C--N 1.362 1.27 0 O-C-N 124.468 1.772 . . . . 73.31 110.978 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 17.1 pt-20 -90.64 2.94 55.43 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.543 1.152 . . . . 75.11 110.266 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 19.2 mttt -121.53 -178.96 3.94 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.509 1.13 . . . . 74.24 109.291 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -139.11 147.08 41.48 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.576 1.172 . . . . 54.01 109.334 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.911 HD11 ' CD2' ' A' ' 109' ' ' TYR . 1.1 tt -142.88 121.66 8.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.411 1.069 . . . . 71.13 109.336 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.521 ' HB3' HD11 ' A' ' 84' ' ' LEU . 65.8 m-85 -122.16 140.57 52.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 70.23 110.931 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.6 ' CG2' ' CG2' ' A' ' 107' ' ' VAL . 9.1 mm -85.33 149.8 4.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 70.04 109.264 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -139.87 126.14 20.05 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 63.12 111.048 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.559 ' O ' HG22 ' A' ' 83' ' ' THR . 2.2 t -128.84 116.76 42.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.434 1.084 . . . . 75.21 109.302 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . 0.499 ' O ' ' CB ' ' A' ' 82' ' ' ASP . 1.8 m-80 64.03 19.9 11.96 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.57 1.168 . . . . 74.42 109.271 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . 0.499 ' CB ' ' O ' ' A' ' 81' ' ' ASN . 3.9 m-20 81.61 24.7 0.24 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 75.13 109.319 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.559 HG22 ' O ' ' A' ' 80' ' ' VAL . 0.7 OUTLIER -131.76 135.17 46.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.112 . . . . 74.25 110.322 -179.941 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.663 HD22 HD21 ' A' ' 113' ' ' ASN . 0.2 OUTLIER -91.48 112.45 54.29 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.46 1.1 . . . . 64.22 109.268 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 163.55 35.18 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.491 1.785 . . . . 73.14 110.988 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . 0.736 ' HD2' ' HB2' ' A' ' 89' ' ' ALA . 18.2 Cg_endo -75.02 -164.97 0.26 Allowed 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.469 1.773 . . . . 70.44 111.017 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 4.8 p -96.12 -31.95 12.75 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.453 1.096 . . . . 62.41 110.399 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -86.42 11.27 12.8 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.555 1.159 . . . . 71.44 109.369 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 1.069 ' HB1' HD11 ' A' ' 94' ' ' ILE . . . -75.84 60.37 1.33 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 73.43 109.324 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.531 ' C ' ' O ' ' A' ' 89' ' ' ALA . 0.4 OUTLIER -28.95 114.99 0.09 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 71.21 109.303 179.94 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . 0.543 ' SD ' HG21 ' A' ' 51' ' ' VAL . 0.0 OUTLIER -36.55 -32.17 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.612 1.195 . . . . 71.21 111.004 179.976 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . 0.45 ' N ' ' O ' ' A' ' 90' ' ' LEU . 1.3 t -62.79 -56.62 15.8 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.436 1.085 . . . . 61.22 110.006 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.407 ' N ' ' O ' ' A' ' 90' ' ' LEU . . . -63.37 -13.31 37.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.434 1.083 . . . . 70.44 109.235 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 1.069 HD11 ' HB1' ' A' ' 89' ' ' ALA . 29.7 mm -87.48 -41.02 14.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.489 1.118 . . . . 61.53 109.352 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . 0.783 ' CD2' HD23 ' A' ' 105' ' ' LEU . 7.7 t80 -79.28 -5.65 54.9 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.554 1.159 . . . . 52.14 110.95 -179.9 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . 0.454 ' O ' ' CG ' ' A' ' 96' ' ' GLN . 1.4 tt0 -101.87 -10.12 20.13 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.559 1.162 . . . . 73.33 110.248 -179.905 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -120.45 -7.59 9.69 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.446 1.091 . . . . 70.13 110.332 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . 0.486 ' CE1' ' ND2' ' A' ' 81' ' ' ASN . 25.0 m-70 -126.99 16.55 7.32 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.555 1.159 . . . . 62.03 109.544 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.49 ' HB3' ' O ' ' A' ' 95' ' ' TYR . 0.1 OUTLIER -60.61 156.19 17.12 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.552 1.157 . . . . 60.42 109.287 -179.94 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -128.47 175.78 8.25 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.448 1.092 . . . . 64.51 109.303 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.465 ' HA ' ' CE ' ' A' ' 101' ' ' LYS . 4.0 mmpt? -50.91 -57.38 8.65 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.424 1.078 . . . . 74.24 109.29 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . 0.539 ' HB3' ' CE1' ' A' ' 11' ' ' PHE . 0.5 OUTLIER -56.93 -19.92 20.61 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.484 1.115 . . . . 52.35 109.215 -179.912 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . 0.421 ' O ' ' CZ ' ' A' ' 95' ' ' TYR . . . 91.01 -25.78 13.1 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.466 1.104 . . . . 42.14 110.929 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . 0.665 ' CE1' ' NZ ' ' A' ' 48' ' ' LYS . 13.5 m-85 -68.9 145.81 53.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.444 0.732 . . . . 73.23 111.089 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.783 HD23 ' CD2' ' A' ' 95' ' ' TYR . 0.3 OUTLIER -86.94 143.09 27.54 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 74.42 109.34 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . 0.443 ' OH ' ' NH1' ' A' ' 14' ' ' ARG . 84.6 m-85 -120.74 95.09 4.57 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.486 1.116 . . . . 64.4 111.015 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.6 ' CG2' ' CG2' ' A' ' 78' ' ' ILE . 12.0 p -106.82 169.31 2.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.538 1.149 . . . . 71.32 109.389 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . 0.49 ' N ' HG22 ' A' ' 107' ' ' VAL . 0.6 OUTLIER -152.75 158.17 41.9 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.511 1.132 . . . . 74.21 110.326 -179.939 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' TYR . . . . . 0.911 ' CD2' HD11 ' A' ' 76' ' ' ILE . 36.1 p90 -140.75 141.45 34.86 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.477 1.11 . . . . 63.54 111.012 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . 0.41 ' OG ' ' HB3' ' A' ' 36' ' ' ALA . 19.5 m -138.66 174.79 10.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.455 1.097 . . . . 73.5 110.018 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -87.92 2.69 85.82 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.528 1.143 . . . . 54.34 111.005 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 20.1 pm0 -118.29 149.82 40.5 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.433 0.725 . . . . 65.25 110.334 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . 0.663 HD21 HD22 ' A' ' 84' ' ' LEU . 18.4 t-20 -93.58 14.84 17.64 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.439 1.087 . . . . 71.13 109.282 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . 0.694 HG22 ' H ' ' A' ' 115' ' ' PHE . 5.1 m -134.48 -171.74 2.84 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.588 1.18 . . . . 73.22 110.411 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . 0.694 ' H ' HG22 ' A' ' 114' ' ' THR . 3.9 p90 -113.49 97.35 6.4 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.585 1.178 . . . . 74.33 111.079 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . 0.404 ' HA2' ' CD ' ' A' ' 38' ' ' LYS . . . . . . . . 0 CA--C 1.53 1.0 0 O-C-N 124.509 1.13 . . . . 63.52 111.0 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 597' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.086 0 N-CA-C 110.964 -0.855 . . . . 75.34 110.964 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 598' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 127.49 10.73 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.502 1.79 . . . . 62.55 111.029 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 599' ' ' HIS . . . . . . . . . . . . . 41.8 t60 -153.38 162.95 40.76 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.535 1.147 . . . . 61.33 109.577 -179.884 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 600' ' ' MET . . . . . . . . . . . . . 4.7 tpt 62.75 19.99 11.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 71.31 110.974 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 601' ' ' ILE . . . . . . . . . . . . . 5.1 mm -66.35 113.82 2.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.466 1.104 . . . . 72.44 109.331 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 602' ' ' SER . . . . . . . . . . . . . 96.3 p -176.0 159.1 2.11 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.475 1.109 . . . . 55.44 109.986 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 603' ' ' GLY . . . . . . . . . . . . . . . -157.87 25.22 0.42 Allowed Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.496 1.122 . . . . 71.31 111.069 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 604' ' ' LEU . . . . . 0.469 HD12 ' H ' ' B' ' 605' ' ' SER . 65.3 tp -114.23 166.72 11.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.416 0.715 . . . . 63.33 109.321 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 605' ' ' SER . . . . . 0.469 ' H ' HD12 ' B' ' 604' ' ' LEU . 33.6 t -39.37 158.49 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.47 1.106 . . . . 73.05 109.977 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 606' ' ' VAL . . . . . . . . . . . . . 88.1 t -102.17 149.22 6.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.537 1.148 . . . . 74.11 109.323 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 607' ' ' ILE . . . . . 0.526 HG22 ' N ' ' B' ' 608' ' ' LYS . 4.0 mm -131.67 170.24 20.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 71.45 109.273 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 608' ' ' LYS . . . . . 0.526 ' N ' HG22 ' B' ' 607' ' ' ILE . 2.0 mmmm -61.5 -14.89 32.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.64 1.212 . . . . 71.52 109.341 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 609' ' ' GLN . . . . . 0.414 ' O ' ' O ' ' B' ' 610' ' ' GLU . 0.1 OUTLIER -78.79 2.46 19.76 Favored 'General case' 0 C--N 1.326 -0.413 0 O-C-N 124.513 1.133 . . . . 75.51 110.34 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 610' ' ' GLU . . . . . 0.414 ' O ' ' O ' ' B' ' 609' ' ' GLN . 10.9 pt-20 -43.9 169.21 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.52 1.138 . . . . 74.31 110.281 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 611' ' ' VAL . . . . . 0.624 HG23 ' O ' ' B' ' 614' ' ' LEU . 0.2 OUTLIER -144.95 153.43 14.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.577 1.173 . . . . 74.53 109.353 179.94 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 612' ' ' GLU . . . . . 0.423 ' CD ' ' N ' ' B' ' 612' ' ' GLU . 0.5 OUTLIER -108.41 -91.68 0.43 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 72.22 110.313 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 613' ' ' ARG . . . . . 0.493 ' HG3' HD12 ' B' ' 614' ' ' LEU . 1.5 ptt180 -106.46 -27.51 10.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 71.31 110.391 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 614' ' ' LEU . . . . . 0.833 HD21 ' CZ3' ' B' ' 621' ' ' TRP . 2.8 mp -85.25 125.33 32.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 75.01 109.334 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 615' ' ' GLY . . . . . . . . . . . . . . . -127.94 -59.26 0.12 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.502 1.126 . . . . 55.23 111.059 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 616' ' ' ASN . . . . . 0.45 ' HB3' ' CB ' ' B' ' 620' ' ' GLU . 4.6 t30 -55.05 -169.54 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 0.744 . . . . 73.32 109.326 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 617' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -53.94 -172.56 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 64.21 109.319 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 618' ' ' VAL . . . . . 0.867 HG21 ' CD ' ' A' ' 17' ' ' GLU . 2.7 t -62.04 129.78 25.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 73.24 109.302 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 619' ' ' PHE . . . . . 0.584 ' CE1' ' HE2' ' A' ' 48' ' ' LYS . 14.7 m-85 71.83 32.98 1.8 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 72.23 111.014 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 620' ' ' GLU . . . . . 0.45 ' CB ' ' HB3' ' B' ' 616' ' ' ASN . 0.3 OUTLIER -46.84 -32.4 3.71 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.398 1.061 . . . . 53.42 110.315 179.935 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 621' ' ' TRP . . . . . 0.833 ' CZ3' HD21 ' B' ' 614' ' ' LEU . 1.4 p90 -72.28 166.34 22.65 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 108.004 -1.11 . . . . 73.32 108.004 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 622' ' ' GLU . . . . . 0.633 ' O ' ' CD1' ' B' ' 621' ' ' TRP . 33.6 tp10 -43.16 162.42 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.101 . . . . 64.15 110.328 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 623' ' ' ASP . . . . . 0.412 ' HB3' ' CB ' ' B' ' 626' ' ' SER . 24.1 m-20 53.1 100.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.474 1.109 . . . . 72.32 109.217 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 624' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -76.63 -69.5 0.51 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.536 1.147 . . . . 63.21 109.356 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 625' ' ' GLU . . . . . 0.461 ' HB3' ' CZ ' ' A' ' 25' ' ' PHE . 1.6 pt-20 -115.25 20.24 15.04 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.582 1.176 . . . . 75.1 110.292 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 626' ' ' SER . . . . . 0.413 ' C ' ' O ' ' B' ' 625' ' ' GLU . 25.3 t -38.67 156.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 72.44 109.986 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 627' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -92.03 22.95 3.99 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.462 1.101 . . . . 61.45 109.286 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 628' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -87.63 -10.38 51.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 70.04 110.325 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 629' ' ' ILE . . . . . 0.473 HD13 ' H ' ' A' ' 50' ' ' LEU . 1.2 pp -101.6 30.57 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.116 . . . . 61.41 109.311 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 630' ' ' ALA . . . . . 0.881 ' C ' HG21 ' A' ' 63' ' ' VAL . . . . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.111 . . . . 73.25 109.32 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 0' ' ' HIS . . . . . . . . . . . . . 27.0 m170 . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.578 -0.527 . . . . 72.51 109.578 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.4 ptp -63.81 -178.54 0.32 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.533 1.145 . . . . 71.22 110.971 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 5.6 mtmm -135.9 -47.64 0.67 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.456 1.098 . . . . 64.1 109.358 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 30.3 t -77.53 124.9 28.51 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.452 1.095 . . . . 61.21 109.96 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.451 ' OG1' ' N ' ' A' ' 5' ' ' PHE . 8.3 p -123.37 -58.19 1.63 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.449 1.093 . . . . 74.44 110.438 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.612 ' CE2' ' OH ' ' A' ' 9' ' ' TYR . 69.0 t80 -71.6 -31.36 66.84 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.6 1.187 . . . . 75.11 111.075 179.897 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 1.034 ' HZ1' HG21 ' A' ' 32' ' ' ILE . 0.6 OUTLIER -80.64 -53.34 6.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 72.11 109.282 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 29.5 t -59.47 -15.36 17.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.571 1.17 . . . . 63.35 109.946 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.575 ' HB3' ' CD1' ' A' ' 9' ' ' TYR . 8.9 tt0 -54.74 -46.92 74.37 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.468 1.105 . . . . 75.05 110.328 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.612 ' OH ' ' CE2' ' A' ' 5' ' ' PHE . 1.9 p90 -134.46 167.28 23.6 Favored Pre-proline 0 C--N 1.326 -0.434 0 O-C-N 124.425 1.078 . . . . 62.13 110.948 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -178.68 4.34 Favored 'Trans proline' 0 C--N 1.361 1.211 0 O-C-N 124.493 1.786 . . . . 44.44 110.986 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.648 ' CE2' ' CD ' ' A' ' 101' ' ' LYS . 6.2 t80 -68.22 -48.03 66.25 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 73.12 110.927 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -52.97 -19.19 2.43 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 72.25 110.294 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -93.42 -51.5 4.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 72.31 109.376 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 11.6 ptp180 -60.85 -20.55 61.99 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.445 1.091 . . . . 72.4 110.231 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.432 ' HD3' ' CE1' ' A' ' 11' ' ' PHE . 34.9 pttt -81.4 -42.89 19.76 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.522 1.139 . . . . 63.02 109.322 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -57.57 -23.81 52.73 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.447 1.092 . . . . 52.13 109.251 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.439 ' O ' ' CG ' ' A' ' 20' ' ' ARG . 13.4 tp10 -68.32 -57.11 6.44 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 64.25 110.209 -179.911 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 20.2 p -59.01 -15.77 14.89 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 73.4 110.045 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -79.94 -25.36 40.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 72.31 110.363 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.927 HH21 ' CD ' ' A' ' 24' ' ' ARG . 13.9 ptm180 -101.85 -25.94 13.63 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.522 1.139 . . . . 74.03 110.257 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 27.1 mt -63.63 -22.01 29.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 70.13 109.294 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -74.17 -19.0 60.7 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.453 1.096 . . . . 53.32 109.27 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -97.36 -42.68 7.64 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.466 1.104 . . . . 74.04 109.303 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.927 ' CD ' HH21 ' A' ' 20' ' ' ARG . 4.1 mtp85 -69.48 -51.89 31.68 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.491 1.119 . . . . 72.2 110.317 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.551 ' CE2' ' HB3' ' A' ' 24' ' ' ARG . 3.4 m-85 -142.27 91.89 7.66 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.505 1.128 . . . . 64.32 111.06 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 -33.28 4.8 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.47 1.774 . . . . 74.2 110.987 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.612 HD22 ' N ' ' A' ' 27' ' ' ASN . 0.9 OUTLIER -91.02 40.22 1.02 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.385 1.053 . . . . 72.44 109.351 179.968 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.461 ' CG ' ' HB3' ' A' ' 25' ' ' PHE . 11.8 mmt180 -124.11 170.17 10.96 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.365 1.04 . . . . 75.13 110.313 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.489 HD12 ' HA ' ' A' ' 92' ' ' SER . 22.2 mm -133.06 96.24 17.88 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.543 1.152 . . . . 73.21 109.345 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.629 ' HA ' HD22 ' A' ' 50' ' ' LEU . 18.2 Cg_endo -74.94 105.51 2.09 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.487 1.782 . . . . 64.02 110.981 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.504 HG13 HG22 ' A' ' 51' ' ' VAL . 0.9 OUTLIER -118.82 169.63 9.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.431 1.082 . . . . 75.34 109.293 179.961 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 1.034 HG21 ' HZ1' ' A' ' 6' ' ' LYS . 4.0 mm -134.7 106.16 7.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 65.24 109.259 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.567 ' HB3' ' CE1' ' A' ' 49' ' ' TYR . 0.5 OUTLIER -83.69 139.74 32.59 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.404 1.065 . . . . 43.2 108.286 179.974 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.487 ' O ' ' CG2' ' A' ' 108' ' ' THR . 6.7 tp10 -149.86 156.71 42.25 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.528 1.143 . . . . 74.13 110.18 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.418 ' CD ' ' HB3' ' A' ' 39' ' ' SER . 0.0 OUTLIER -94.12 126.91 39.63 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.471 1.107 . . . . 74.11 109.317 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.509 ' HB3' ' HB2' ' A' ' 39' ' ' SER . . . -53.74 179.46 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 61.54 109.316 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.451 ' CG ' ' N ' ' A' ' 38' ' ' LYS . 11.1 pt-20 -96.44 -50.95 4.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.414 1.071 . . . . 72.1 110.279 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.451 ' N ' ' CG ' ' A' ' 37' ' ' GLU . 50.3 mttp -59.74 -37.03 77.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 70.13 109.272 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.509 ' HB2' ' HB3' ' A' ' 36' ' ' ALA . 3.3 t -39.98 159.59 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.45 1.094 . . . . 61.22 109.985 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 75.2 m-20 -121.98 1.9 9.87 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.586 1.179 . . . . 65.12 109.283 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.597 HD11 ' CE2' ' A' ' 109' ' ' TYR . 0.1 OUTLIER -79.88 167.99 29.54 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.44 1.088 . . . . 75.43 109.275 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.433 ' O ' HG21 ' A' ' 68' ' ' ILE . 18.0 Cg_endo -75.07 125.2 9.12 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.491 1.785 . . . . 64.4 110.974 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -66.2 146.82 54.18 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.435 1.084 . . . . 74.43 110.339 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.733 HD11 ' HG3' ' A' ' 67' ' ' ARG . 13.8 tt -67.11 170.28 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.46 1.1 . . . . 73.53 109.325 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -72.25 -44.33 63.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.421 1.075 . . . . 74.13 109.296 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -149.83 164.98 33.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 72.31 109.295 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.675 ' HB2' HG22 ' A' ' 32' ' ' ILE . 2.1 ptm180 -106.99 95.68 5.89 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.484 1.115 . . . . 73.31 110.302 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.576 ' HB2' ' CD2' ' A' ' 5' ' ' PHE . 17.8 tptt -166.6 116.43 0.92 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.555 1.159 . . . . 65.41 109.268 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.701 ' HE2' HG12 ' A' ' 63' ' ' VAL . 20.3 m-85 -141.67 115.22 8.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.441 1.088 . . . . 72.34 111.015 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.629 HD22 ' HA ' ' A' ' 30' ' ' PRO . 0.3 OUTLIER -98.33 77.13 2.35 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.567 1.167 . . . . 74.33 109.346 -179.969 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.939 HG21 ' SD ' ' A' ' 91' ' ' MET . 6.4 m -82.82 146.28 52.15 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.102 . . . . 63.4 109.225 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.47 ' HD3' ' CB ' ' B' ' 630' ' ' ALA . 18.4 Cg_endo -74.95 -178.23 4.01 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.452 1.764 . . . . 72.44 110.994 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -91.84 18.77 7.27 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.486 1.116 . . . . 72.45 109.332 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -118.1 -38.48 3.21 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.462 1.101 . . . . 72.41 109.266 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.576 HD12 ' N ' ' A' ' 56' ' ' THR . 0.0 OUTLIER -57.93 130.38 46.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.547 1.154 . . . . 73.35 109.269 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.576 ' N ' HD12 ' A' ' 55' ' ' LEU . 2.4 p -90.19 -164.09 1.11 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.113 . . . . 33.54 110.409 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 2.4 t -84.12 -60.57 2.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.548 1.155 . . . . 60.44 109.355 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -57.17 -21.48 39.48 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.429 1.081 . . . . 73.23 110.989 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.499 ' HB2' ' CD1' ' A' ' 55' ' ' LEU . 9.6 mt-30 -88.63 -28.31 20.73 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.432 0.725 . . . . 74.53 110.352 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.675 ' CE1' HG11 ' A' ' 51' ' ' VAL . 54.2 t80 -69.35 -38.67 78.23 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.124 . . . . 73.03 111.034 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.719 HG22 HG12 ' A' ' 78' ' ' ILE . 85.4 t -49.06 -47.19 17.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 73.01 109.231 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.552 ' CD1' ' C ' ' A' ' 62' ' ' TYR . 0.1 OUTLIER -44.82 -32.7 1.65 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 74.54 110.995 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.729 HG21 ' CA ' ' B' ' 630' ' ' ALA . 97.7 t -74.38 -39.49 48.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.43 1.081 . . . . 65.32 109.26 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.615 ' CD1' ' CE2' ' A' ' 49' ' ' TYR . 4.0 mm -67.79 -33.5 62.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.549 1.156 . . . . 74.05 109.35 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 2.3 tpp180 -77.86 -3.24 40.63 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.52 1.137 . . . . 63.25 110.291 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.452 ' HD2' ' CE1' ' A' ' 62' ' ' TYR . 15.3 mttt -90.23 -50.11 6.17 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.14 . . . . 71.45 109.279 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.733 ' HG3' HD11 ' A' ' 44' ' ' ILE . 6.7 mmp_? -53.01 -66.43 0.39 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.556 1.16 . . . . 74.15 110.332 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.713 HD11 HD12 ' A' ' 76' ' ' ILE . 6.0 pt -72.32 -5.37 6.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.446 1.091 . . . . 74.21 109.385 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.508 ' CG ' ' O ' ' A' ' 68' ' ' ILE . 6.0 ptp 42.88 42.82 3.22 Favored 'General case' 0 C--N 1.327 -0.381 0 O-C-N 124.41 1.069 . . . . 64.34 111.059 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.51 HD22 HD12 ' A' ' 68' ' ' ILE . 4.8 tp -62.11 140.65 96.0 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 62.43 109.299 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.442 ' HD3' ' HA ' ' A' ' 70' ' ' LEU . 18.3 Cg_endo -75.05 170.89 19.41 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.514 1.797 . . . . 75.31 110.94 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 0.23 9.18 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.507 1.793 . . . . 73.31 111.03 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -93.28 7.25 45.14 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.438 1.086 . . . . 75.11 110.281 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -125.31 179.9 4.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.555 1.159 . . . . 74.24 109.35 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -136.58 149.13 47.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.145 . . . . 54.01 109.309 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.777 HD11 ' CD2' ' A' ' 109' ' ' TYR . 1.5 tt -149.45 120.01 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.396 1.06 . . . . 71.13 109.279 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.643 ' HB3' HD11 ' A' ' 84' ' ' LEU . 52.1 m-85 -120.67 142.74 49.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.107 . . . . 70.23 110.995 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.719 HG12 HG22 ' A' ' 61' ' ' VAL . 11.3 mm -84.8 139.55 17.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.569 1.168 . . . . 70.04 109.298 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . 0.605 ' CZ ' HD13 ' A' ' 84' ' ' LEU . 6.9 m-85 -131.34 130.88 43.25 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.484 1.115 . . . . 63.12 111.076 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.691 HG12 ' ND2' ' A' ' 81' ' ' ASN . 2.8 t -130.27 118.73 44.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.453 1.096 . . . . 75.21 109.323 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . 0.691 ' ND2' HG12 ' A' ' 80' ' ' VAL . 2.4 m-80 60.82 19.36 9.57 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.535 1.147 . . . . 74.42 109.29 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . 0.493 ' CB ' ' O ' ' A' ' 81' ' ' ASN . 9.3 t0 81.08 25.7 0.25 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.439 1.087 . . . . 75.13 109.341 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.486 ' O ' ' CG2' ' A' ' 83' ' ' THR . 0.6 OUTLIER -133.15 112.94 12.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.107 . . . . 74.25 110.388 -179.94 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.643 HD11 ' HB3' ' A' ' 77' ' ' PHE . 0.3 OUTLIER -71.99 113.81 23.53 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.524 1.14 . . . . 64.22 109.306 179.967 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 165.32 31.58 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.482 1.78 . . . . 73.14 111.018 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . 0.739 ' HD2' ' HB2' ' A' ' 89' ' ' ALA . 18.5 Cg_endo -74.94 -167.27 0.4 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.586 1.835 . . . . 70.44 111.02 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 2.0 p -93.68 -32.13 14.17 Favored 'General case' 0 C--N 1.327 -0.406 0 O-C-N 124.449 1.093 . . . . 62.41 110.451 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -86.38 11.66 11.86 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.487 1.117 . . . . 71.44 109.306 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 1.02 ' HB1' HD11 ' A' ' 94' ' ' ILE . . . -76.01 60.57 1.42 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.118 . . . . 73.43 109.301 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.539 ' CD1' HG22 ' A' ' 56' ' ' THR . 0.4 OUTLIER -28.99 115.64 0.1 Allowed 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.493 1.12 . . . . 71.21 109.424 179.926 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . 0.939 ' SD ' HG21 ' A' ' 51' ' ' VAL . 0.3 OUTLIER -37.05 -31.1 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.546 1.154 . . . . 71.21 110.978 -179.973 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . 0.489 ' HA ' HD12 ' A' ' 29' ' ' ILE . 1.5 t -67.81 -53.71 24.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.605 1.191 . . . . 61.22 110.001 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.452 ' N ' ' O ' ' A' ' 90' ' ' LEU . . . -63.27 -13.16 35.1 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.561 1.163 . . . . 70.44 109.242 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 1.02 HD11 ' HB1' ' A' ' 89' ' ' ALA . 26.8 mm -88.28 -41.7 14.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.42 1.075 . . . . 61.53 109.376 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . 0.707 ' CD2' HD23 ' A' ' 105' ' ' LEU . 4.7 t80 -74.78 -9.02 58.16 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.44 1.088 . . . . 52.14 111.022 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . 0.467 ' O ' ' CG ' ' A' ' 96' ' ' GLN . 15.5 tp60 -100.99 -8.97 21.9 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.388 1.055 . . . . 73.33 110.301 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -118.3 -8.12 10.63 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 70.13 110.325 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . 0.589 ' HD2' HG23 ' A' ' 94' ' ' ILE . 61.4 m-70 -128.42 14.97 6.63 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.48 1.113 . . . . 62.03 109.624 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.489 ' HB3' ' O ' ' A' ' 95' ' ' TYR . 0.1 OUTLIER -55.75 154.68 6.66 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.525 1.141 . . . . 60.42 109.306 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -124.66 171.59 9.94 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.507 1.129 . . . . 64.51 109.268 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.648 ' CD ' ' CE2' ' A' ' 11' ' ' PHE . 0.1 OUTLIER -55.44 -43.04 75.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 74.24 109.362 179.947 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . 0.493 ' HB3' ' CE2' ' A' ' 11' ' ' PHE . 1.0 OUTLIER -72.01 -15.48 62.05 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.124 . . . . 52.35 109.277 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 88.77 -39.27 3.13 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.532 1.145 . . . . 42.14 111.046 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . 0.434 ' CE2' ' HB3' ' A' ' 17' ' ' GLU . 0.4 OUTLIER -56.99 132.11 51.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 0.751 . . . . 73.23 110.866 -179.968 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.707 HD23 ' CD2' ' A' ' 95' ' ' TYR . 0.2 OUTLIER -77.37 151.16 34.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 74.42 109.342 179.97 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 94.3 m-85 -130.62 95.9 3.98 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.496 1.122 . . . . 64.4 111.05 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.603 ' CG2' ' CG2' ' A' ' 78' ' ' ILE . 11.5 p -106.07 171.44 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.533 1.145 . . . . 71.32 109.291 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . 0.532 ' H ' HG22 ' A' ' 107' ' ' VAL . 0.3 OUTLIER -152.47 161.12 43.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.112 . . . . 74.21 110.42 179.983 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' TYR . . . . . 0.777 ' CD2' HD11 ' A' ' 76' ' ' ILE . 46.7 p90 -140.74 134.3 30.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.438 1.086 . . . . 63.54 110.94 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 22.9 t -136.33 157.56 46.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.377 1.048 . . . . 73.5 110.014 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -85.2 2.42 88.2 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.563 1.164 . . . . 54.34 111.048 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -121.69 124.53 44.49 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.547 0.793 . . . . 65.25 110.312 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 11.5 t-20 -86.4 53.37 2.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.405 1.065 . . . . 71.13 109.301 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . 0.669 HG22 ' H ' ' A' ' 115' ' ' PHE . 3.6 m -106.54 -171.91 1.98 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.11 . . . . 73.22 110.428 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . 0.669 ' H ' HG22 ' A' ' 114' ' ' THR . 4.6 p90 -111.97 96.82 6.27 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.491 1.119 . . . . 74.33 110.993 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 O-C-N 124.505 1.128 . . . . 63.52 111.031 179.991 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 597' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 N-CA-C 111.047 -0.821 . . . . 75.34 111.047 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 598' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -75.08 -172.26 1.21 Allowed 'Trans proline' 0 C--N 1.359 1.1 0 O-C-N 124.596 1.84 . . . . 62.55 110.912 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 599' ' ' HIS . . . . . . . . . . . . . 53.5 t60 -119.83 175.7 5.76 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 61.33 109.542 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 600' ' ' MET . . . . . 0.437 ' N ' ' SD ' ' B' ' 600' ' ' MET . 1.8 mpp? -143.57 163.39 33.31 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 71.31 110.952 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 601' ' ' ILE . . . . . 0.471 ' CG2' ' N ' ' B' ' 602' ' ' SER . 15.6 mm -144.4 164.44 13.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.523 1.139 . . . . 72.44 109.25 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 602' ' ' SER . . . . . 0.471 ' N ' ' CG2' ' B' ' 601' ' ' ILE . 58.6 m -157.16 -175.17 5.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 55.44 110.012 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 603' ' ' GLY . . . . . . . . . . . . . . . 141.87 -13.87 2.64 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.531 1.144 . . . . 71.31 111.016 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 604' ' ' LEU . . . . . . . . . . . . . 1.4 tt -40.54 120.59 1.28 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.529 0.782 . . . . 63.33 109.313 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 605' ' ' SER . . . . . 0.804 ' O ' HG23 ' B' ' 606' ' ' VAL . 54.4 m -112.91 -176.27 2.86 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.525 1.141 . . . . 73.05 109.998 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 606' ' ' VAL . . . . . 0.804 HG23 ' O ' ' B' ' 605' ' ' SER . 3.3 t -163.32 163.98 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.437 1.086 . . . . 74.11 109.296 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 607' ' ' ILE . . . . . 0.515 HG22 ' N ' ' B' ' 608' ' ' LYS . 12.8 mm -105.27 166.79 3.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.588 1.18 . . . . 71.45 109.294 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 608' ' ' LYS . . . . . 0.515 ' N ' HG22 ' B' ' 607' ' ' ILE . 0.1 OUTLIER -134.79 151.0 50.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.143 . . . . 71.52 109.332 -179.981 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 609' ' ' GLN . . . . . 0.41 ' OE1' ' N ' ' B' ' 609' ' ' GLN . 19.4 mp0 -129.48 -174.92 3.42 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.511 1.132 . . . . 75.51 110.321 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 610' ' ' GLU . . . . . . . . . . . . . 20.2 mm-40 -46.84 172.47 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.476 1.11 . . . . 74.31 110.374 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 611' ' ' VAL . . . . . 0.71 HG23 ' O ' ' B' ' 614' ' ' LEU . 0.2 OUTLIER -161.65 132.47 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 74.53 109.327 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 612' ' ' GLU . . . . . 0.467 ' CG ' ' HG3' ' A' ' 8' ' ' GLU . 7.3 pt-20 -113.84 -44.21 3.2 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.536 1.148 . . . . 72.22 110.238 -179.895 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 613' ' ' ARG . . . . . 0.553 ' CG ' HD12 ' B' ' 614' ' ' LEU . 0.1 OUTLIER -137.42 -44.86 0.55 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.454 1.096 . . . . 71.31 110.287 -179.966 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 614' ' ' LEU . . . . . 0.71 ' O ' HG23 ' B' ' 611' ' ' VAL . 2.2 mp -85.84 -164.14 0.98 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.565 1.166 . . . . 75.01 109.257 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 615' ' ' GLY . . . . . 0.432 ' N ' ' HG3' ' B' ' 620' ' ' GLU . . . -162.07 -137.86 2.29 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.504 1.127 . . . . 55.23 111.01 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 616' ' ' ASN . . . . . 0.494 ' ND2' ' H ' ' B' ' 617' ' ' ASP . 0.5 OUTLIER -39.24 -72.72 0.06 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.421 0.718 . . . . 73.32 109.268 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 617' ' ' ASP . . . . . 0.494 ' H ' ' ND2' ' B' ' 616' ' ' ASN . 12.4 t70 -72.75 170.84 13.76 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.419 1.074 . . . . 64.21 109.256 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 618' ' ' VAL . . . . . 0.617 ' O ' ' CD1' ' B' ' 619' ' ' PHE . 0.1 OUTLIER -92.94 32.79 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.497 1.123 . . . . 73.24 109.248 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 619' ' ' PHE . . . . . 0.617 ' CD1' ' O ' ' B' ' 618' ' ' VAL . 37.8 m-85 -164.57 115.84 1.24 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 72.23 110.94 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 620' ' ' GLU . . . . . 0.519 ' CG ' ' HA ' ' B' ' 614' ' ' LEU . 3.8 mm-40 -139.56 26.9 2.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 53.42 110.242 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 621' ' ' TRP . . . . . 0.46 ' HZ3' HD11 ' B' ' 614' ' ' LEU . 5.0 p90 -133.84 -166.53 1.8 Allowed 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 107.977 -1.12 . . . . 73.32 107.977 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 622' ' ' GLU . . . . . 0.449 ' O ' ' HB2' ' B' ' 623' ' ' ASP . 1.3 pt-20 -71.31 66.25 0.44 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.555 1.16 . . . . 64.15 110.327 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 623' ' ' ASP . . . . . 0.449 ' HB2' ' O ' ' B' ' 622' ' ' GLU . 1.0 OUTLIER 167.45 111.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.428 1.08 . . . . 72.32 109.309 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 624' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -113.16 -82.22 0.6 Allowed 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.526 1.141 . . . . 63.21 109.349 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 625' ' ' GLU . . . . . 0.474 ' O ' ' C ' ' B' ' 626' ' ' SER . 2.5 pp20? -120.9 -5.99 9.58 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.496 1.123 . . . . 75.1 110.28 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 626' ' ' SER . . . . . 0.474 ' C ' ' O ' ' B' ' 625' ' ' GLU . 4.4 m -34.01 146.66 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.45 1.094 . . . . 72.44 109.999 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 627' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -75.07 -2.1 25.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 61.45 109.344 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 628' ' ' GLU . . . . . 0.426 ' O ' HG13 ' A' ' 63' ' ' VAL . 7.0 pt-20 -53.9 -19.57 4.73 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.546 1.154 . . . . 70.04 110.272 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 629' ' ' ILE . . . . . 0.535 ' C ' HG11 ' A' ' 63' ' ' VAL . 1.2 pp -103.67 27.98 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.468 1.105 . . . . 61.41 109.294 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 630' ' ' ALA . . . . . 0.729 ' CA ' HG21 ' A' ' 63' ' ' VAL . . . . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.144 . . . . 73.25 109.248 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 0' ' ' HIS . . . . . . . . . . . . . 38.3 m170 . . . . . 0 N--CA 1.454 -0.26 0 N-CA-C 109.539 -0.541 . . . . 72.51 109.539 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.439 ' CE ' ' OG ' ' A' ' 7' ' ' SER . 8.9 ptm -147.11 -177.83 5.88 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.472 1.108 . . . . 71.22 111.011 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 27.8 mtmt -137.31 -50.38 0.63 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.557 1.161 . . . . 64.1 109.332 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 85.6 p -67.95 174.64 3.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 61.21 109.974 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.477 ' OG1' ' CG ' ' A' ' 47' ' ' ARG . 2.0 p -137.73 -85.46 0.3 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.552 1.157 . . . . 74.44 110.417 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.591 ' O ' ' CE1' ' A' ' 9' ' ' TYR . 9.5 t80 -64.05 -10.59 22.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 75.11 110.995 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 13.1 tmtt? -98.44 -15.02 19.8 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 72.11 109.194 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.439 ' OG ' ' CE ' ' A' ' 1' ' ' MET . 0.5 OUTLIER -110.16 5.15 21.71 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.527 1.142 . . . . 63.35 109.998 -179.921 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.563 ' HB3' ' CE2' ' A' ' 9' ' ' TYR . 0.0 OUTLIER -82.35 0.7 40.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 75.05 110.28 -179.945 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.591 ' CE1' ' O ' ' A' ' 5' ' ' PHE . 0.3 OUTLIER 179.55 169.77 0.61 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 62.13 110.98 -179.94 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 178.95 6.58 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.462 1.77 . . . . 44.44 110.987 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.565 ' HB2' HH21 ' A' ' 14' ' ' ARG . 4.4 t80 -71.08 -39.56 72.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 73.12 111.031 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.436 ' HA ' ' CD ' ' A' ' 15' ' ' LYS . 46.8 mt-10 -64.14 -10.78 24.86 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.513 1.133 . . . . 72.25 110.312 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -86.47 -58.14 2.73 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.501 1.125 . . . . 72.31 109.369 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.565 HH21 ' HB2' ' A' ' 11' ' ' PHE . 8.2 ptt180 -63.04 -45.08 93.95 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.483 1.115 . . . . 72.4 110.371 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.476 ' N ' ' CG ' ' A' ' 14' ' ' ARG . 39.0 pttt -47.4 -40.16 17.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.13 . . . . 63.02 109.255 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -68.36 -34.88 76.88 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.523 1.139 . . . . 52.13 109.311 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.72 ' HG2' HG11 ' B' ' 618' ' ' VAL . 24.8 tp10 -64.32 -39.81 94.65 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 64.25 110.361 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -74.95 -16.99 60.62 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.559 1.162 . . . . 73.4 110.054 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -75.09 -25.07 58.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.452 1.095 . . . . 72.31 110.309 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 13.3 ptm180 -101.82 -31.5 10.71 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.493 1.121 . . . . 74.03 110.281 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 3.9 mt -64.28 -19.6 25.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.488 1.117 . . . . 70.13 109.291 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -76.34 -14.43 60.09 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.474 1.109 . . . . 53.32 109.267 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -105.24 -39.43 6.19 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.46 1.1 . . . . 74.04 109.362 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.552 ' HB3' ' CE1' ' A' ' 25' ' ' PHE . 15.0 mmm-85 -68.07 -49.07 63.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.556 1.16 . . . . 72.2 110.231 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.552 ' CE1' ' HB3' ' A' ' 24' ' ' ARG . 0.9 OUTLIER -133.92 77.47 62.54 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.571 1.169 . . . . 64.32 110.943 -179.966 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 -24.95 12.32 Favored 'Trans proline' 0 C--N 1.358 1.068 0 O-C-N 124.528 1.804 . . . . 74.2 110.961 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 36.2 m-20 -91.94 21.97 4.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.438 1.087 . . . . 72.44 109.207 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.57 ' HB3' HD11 ' A' ' 50' ' ' LEU . 9.3 mmt-85 -114.41 -177.45 3.13 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.451 1.095 . . . . 75.13 110.245 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.638 HG23 ' CB ' ' A' ' 95' ' ' TYR . 35.8 mm -146.31 98.66 4.28 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.545 1.153 . . . . 73.21 109.351 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.563 ' HD2' ' CE1' ' A' ' 95' ' ' TYR . 18.4 Cg_endo -74.93 141.26 26.64 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.387 1.73 . . . . 64.02 110.97 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.804 HG23 ' HB3' ' A' ' 105' ' ' LEU . 5.5 p -159.92 152.77 5.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 75.34 109.309 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.506 ' CG2' ' CB ' ' A' ' 47' ' ' ARG . 21.8 mm -113.06 115.48 49.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.438 1.086 . . . . 65.24 109.319 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.584 ' SG ' HD12 ' A' ' 64' ' ' ILE . 1.0 OUTLIER -90.38 111.88 23.28 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 43.2 108.324 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.716 ' HA ' HH21 ' A' ' 47' ' ' ARG . 87.7 tt0 -113.44 153.93 27.82 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.509 1.131 . . . . 74.13 110.246 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.89 ' HZ3' ' CB ' ' A' ' 39' ' ' SER . 0.4 OUTLIER -93.17 121.29 34.38 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.444 1.09 . . . . 74.11 109.406 179.969 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.476 ' CB ' ' HB3' ' A' ' 110' ' ' SER . . . -52.93 172.83 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.136 . . . . 61.54 109.299 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.419 ' HG3' ' N ' ' A' ' 38' ' ' LYS . 18.7 pt-20 -96.73 -48.0 5.66 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.105 . . . . 72.1 110.318 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.419 ' N ' ' HG3' ' A' ' 37' ' ' GLU . 8.8 mttp -52.38 -47.12 66.38 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.493 1.12 . . . . 70.13 109.289 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.89 ' CB ' ' HZ3' ' A' ' 35' ' ' LYS . 0.1 OUTLIER -48.58 173.6 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.427 1.079 . . . . 61.22 110.028 -179.93 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -137.61 19.1 2.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 65.12 109.301 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.616 HG23 ' OG ' ' A' ' 39' ' ' SER . 0.1 OUTLIER -81.68 168.26 25.55 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.465 1.103 . . . . 75.43 109.221 -179.925 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.516 ' O ' HG21 ' A' ' 68' ' ' ILE . 18.2 Cg_endo -75.01 125.48 9.34 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.51 1.795 . . . . 64.4 111.012 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -63.82 148.6 48.91 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.546 1.153 . . . . 74.43 110.349 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.514 ' CD1' ' OH ' ' A' ' 49' ' ' TYR . 11.7 tt -69.01 170.37 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.581 1.176 . . . . 73.53 109.275 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.439 ' O ' ' NH1' ' B' ' 613' ' ' ARG . 15.4 t70 -75.06 -44.69 46.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 74.13 109.304 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.485 ' HZ1' ' HD2' ' A' ' 67' ' ' ARG . 0.1 OUTLIER -144.46 168.42 20.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.125 . . . . 72.31 109.258 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.716 HH21 ' HA ' ' A' ' 34' ' ' GLU . 0.7 OUTLIER -112.1 94.02 4.74 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.469 1.106 . . . . 73.31 110.312 -179.973 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.65 ' NZ ' ' CE1' ' A' ' 104' ' ' PHE . 0.0 OUTLIER -167.1 121.02 1.0 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.452 1.095 . . . . 65.41 109.326 -179.956 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.591 ' CE2' HD13 ' A' ' 64' ' ' ILE . 28.1 m-85 -146.9 108.46 4.31 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.504 1.128 . . . . 72.34 111.049 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.57 HD11 ' HB3' ' A' ' 28' ' ' ARG . 15.3 tp -104.41 76.72 1.33 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 74.33 109.248 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.709 HG11 ' CD1' ' A' ' 60' ' ' PHE . 28.8 m -77.19 157.25 81.19 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.396 1.06 . . . . 63.4 109.247 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 175.62 11.0 Favored 'Trans proline' 0 C--N 1.361 1.213 0 O-C-N 124.443 1.76 . . . . 72.44 111.029 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -87.99 17.96 4.57 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.585 1.178 . . . . 72.45 109.325 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -117.63 -38.14 3.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 72.41 109.311 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.501 ' CD1' ' O ' ' B' ' 630' ' ' ALA . 0.4 OUTLIER -57.48 133.8 55.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 73.35 109.22 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.409 HG23 ' OE1' ' A' ' 59' ' ' GLN . 0.7 OUTLIER -94.25 -173.85 3.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.577 1.173 . . . . 33.54 110.397 179.927 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 2.6 t -73.37 -42.54 57.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.427 1.079 . . . . 60.44 109.278 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -72.25 -6.6 65.5 Favored Glycine 0 CA--C 1.529 0.927 0 O-C-N 124.454 1.096 . . . . 73.23 111.058 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.423 ' CB ' ' HG ' ' A' ' 55' ' ' LEU . 14.5 mt-30 -99.29 -23.22 15.26 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 0.776 . . . . 74.53 110.312 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.709 ' CD1' HG11 ' A' ' 51' ' ' VAL . 34.1 t80 -76.68 -54.2 6.97 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.508 1.13 . . . . 73.03 110.96 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.757 HG13 ' CG2' ' A' ' 76' ' ' ILE . 90.7 t -40.08 -36.89 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.475 1.109 . . . . 73.01 109.29 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.568 ' CD1' ' HD3' ' A' ' 66' ' ' LYS . 0.5 OUTLIER -56.61 -54.53 44.98 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.497 1.123 . . . . 74.54 111.015 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.996 HG21 ' C ' ' B' ' 630' ' ' ALA . 77.5 t -58.63 -39.56 76.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.11 . . . . 65.32 109.289 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.627 HD11 ' CZ ' ' A' ' 60' ' ' PHE . 16.0 mm -59.45 -48.35 87.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.478 1.111 . . . . 74.05 109.334 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.499 HH21 HG22 ' A' ' 76' ' ' ILE . 9.7 tpp85 -61.97 -33.52 74.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 63.25 110.35 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.568 ' HD3' ' CD1' ' A' ' 62' ' ' TYR . 0.1 OUTLIER -61.8 -53.45 55.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 71.45 109.235 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.485 ' HD2' ' HZ1' ' A' ' 46' ' ' LYS . 1.2 mmp_? -48.6 -66.51 0.39 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.504 1.127 . . . . 74.15 110.31 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.813 HD11 HD12 ' A' ' 76' ' ' ILE . 5.5 pt -69.3 -7.65 8.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.505 1.128 . . . . 74.21 109.285 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.511 ' CG ' ' O ' ' A' ' 68' ' ' ILE . 6.7 ptp 43.47 41.18 3.13 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.495 1.122 . . . . 64.34 110.964 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.497 HD22 HD12 ' A' ' 68' ' ' ILE . 5.0 tp -62.28 141.03 96.31 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.597 1.186 . . . . 62.43 109.364 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.91 172.56 16.09 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.508 1.793 . . . . 75.31 111.022 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -2.87 13.11 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.496 1.788 . . . . 73.31 110.991 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -86.1 3.18 43.71 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.563 1.164 . . . . 75.11 110.324 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 10.5 mttp -133.73 -178.97 5.25 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.477 1.11 . . . . 74.24 109.253 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -139.15 177.11 8.14 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.462 1.101 . . . . 54.01 109.299 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.813 HD12 HD11 ' A' ' 68' ' ' ILE . 1.0 OUTLIER -161.83 116.51 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.439 1.087 . . . . 71.13 109.279 -179.951 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.474 ' CE1' ' HB2' ' A' ' 113' ' ' ASN . 82.4 m-85 -116.35 140.99 48.74 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 70.23 111.012 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.655 ' CG1' HG22 ' A' ' 61' ' ' VAL . 5.1 mm -84.18 150.83 3.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 O-C-N 124.558 1.162 . . . . 70.04 109.297 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . 0.511 ' CD1' HD12 ' A' ' 84' ' ' LEU . 2.8 m-85 -145.8 117.38 8.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 63.12 110.998 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.672 HG11 ' CD2' ' A' ' 98' ' ' HIS . 1.5 t -119.45 110.65 30.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.573 1.171 . . . . 75.21 109.365 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . 0.497 ' O ' ' CB ' ' A' ' 82' ' ' ASP . 2.9 m-80 66.78 21.7 10.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.099 . . . . 74.42 109.29 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . 0.497 ' CB ' ' O ' ' A' ' 81' ' ' ASN . 4.1 m-20 81.66 21.14 0.33 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 75.13 109.304 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.599 HG22 ' O ' ' A' ' 80' ' ' VAL . 0.7 OUTLIER -124.58 135.08 52.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.145 . . . . 74.25 110.427 179.972 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.603 HD22 HD21 ' A' ' 113' ' ' ASN . 0.2 OUTLIER -95.6 111.14 54.55 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 64.22 109.285 -179.965 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 163.52 35.2 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.483 1.78 . . . . 73.14 111.007 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . 0.717 ' HG2' ' HB2' ' A' ' 89' ' ' ALA . 18.0 Cg_endo -75.08 -167.05 0.39 Allowed 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.493 1.786 . . . . 70.44 110.95 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 2.2 p -97.1 -35.34 10.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 62.41 110.365 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -82.39 5.28 20.89 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.458 1.099 . . . . 71.44 109.302 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 1.067 ' HB1' HD11 ' A' ' 94' ' ' ILE . . . -76.06 61.0 1.49 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.466 1.104 . . . . 73.43 109.292 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.593 ' C ' ' O ' ' A' ' 89' ' ' ALA . 0.3 OUTLIER -24.58 124.11 0.05 OUTLIER 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.537 1.148 . . . . 71.21 109.283 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 40.4 mmm -49.42 -21.29 0.87 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 71.21 111.004 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 3.2 p -68.54 -48.16 65.02 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.423 1.077 . . . . 61.22 109.932 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -73.56 -13.34 61.01 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.561 1.163 . . . . 70.44 109.379 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 1.067 HD11 ' HB1' ' A' ' 89' ' ' ALA . 18.3 mm -87.02 -43.46 15.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.458 1.099 . . . . 61.53 109.306 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . 0.711 ' CD1' HD23 ' A' ' 105' ' ' LEU . 2.2 t80 -76.02 -4.43 41.19 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.604 1.19 . . . . 52.14 111.039 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . 0.432 ' O ' ' CG ' ' A' ' 96' ' ' GLN . 1.6 tt0 -102.81 -10.78 18.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.562 1.164 . . . . 73.33 110.215 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -120.81 -6.16 9.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 70.13 110.254 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . 0.744 ' HB2' HD11 ' A' ' 105' ' ' LEU . 10.7 m-70 -122.11 11.29 10.18 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.526 1.141 . . . . 62.03 109.571 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.495 ' HB3' ' O ' ' A' ' 95' ' ' TYR . 0.1 OUTLIER -67.37 157.83 33.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 60.42 109.287 -179.974 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . 0.43 ' O ' ' N ' ' A' ' 103' ' ' GLY . 0.1 OUTLIER -130.75 175.37 9.09 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.527 1.142 . . . . 64.51 109.275 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 36.9 mtmt -45.89 -50.45 14.43 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.491 1.119 . . . . 74.24 109.252 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . 0.412 ' HB3' ' CE2' ' A' ' 11' ' ' PHE . 0.4 OUTLIER -63.5 -31.77 73.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 52.35 109.234 -179.942 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . 0.43 ' N ' ' O ' ' A' ' 100' ' ' ASP . . . 100.62 -37.75 3.44 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.456 1.097 . . . . 42.14 110.979 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . 0.65 ' CE1' ' NZ ' ' A' ' 48' ' ' LYS . 2.9 m-85 -58.04 121.83 11.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 0.747 . . . . 73.23 110.972 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.804 ' HB3' HG23 ' A' ' 31' ' ' VAL . 0.3 OUTLIER -63.54 144.63 56.83 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.412 1.07 . . . . 74.42 109.302 179.945 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . 0.498 ' OH ' ' CZ ' ' A' ' 14' ' ' ARG . 34.7 m-85 -121.59 88.14 2.88 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 64.4 111.007 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.589 HG22 HG23 ' A' ' 78' ' ' ILE . 6.0 p -101.0 170.43 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.541 1.15 . . . . 71.32 109.289 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . 0.513 HG23 ' HB3' ' A' ' 34' ' ' GLU . 0.2 OUTLIER -152.92 137.16 16.53 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.514 1.134 . . . . 74.21 110.402 -179.969 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' TYR . . . . . 0.768 ' CD2' HD11 ' A' ' 76' ' ' ILE . 41.3 p90 -118.57 134.7 54.9 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.444 1.09 . . . . 63.54 111.058 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . 0.476 ' HB3' ' CB ' ' A' ' 36' ' ' ALA . 2.9 p -137.99 135.07 35.61 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.45 1.094 . . . . 73.5 110.043 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -57.53 -16.04 20.22 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.533 1.146 . . . . 54.34 110.932 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . 0.409 ' O ' ' OG ' ' A' ' 110' ' ' SER . 4.4 pt-20 -102.22 125.33 48.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.45 0.736 . . . . 65.25 110.275 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . 0.603 HD21 HD22 ' A' ' 84' ' ' LEU . 9.9 t-20 -89.62 15.12 10.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.125 . . . . 71.13 109.296 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . 0.6 HG22 ' H ' ' A' ' 115' ' ' PHE . 27.5 m -99.79 177.94 4.98 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.544 1.153 . . . . 73.22 110.364 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . 0.619 ' CD1' ' N ' ' A' ' 115' ' ' PHE . 0.2 OUTLIER -125.78 97.3 5.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.443 1.089 . . . . 74.33 111.036 179.946 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.054 0 O-C-N 124.522 1.139 . . . . 63.52 110.981 179.985 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 597' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.029 0 N-CA-C 110.987 -0.845 . . . . 75.34 110.987 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 598' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 178.41 7.27 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.52 1.8 . . . . 62.55 111.037 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 599' ' ' HIS . . . . . . . . . . . . . 55.6 p-80 -97.99 103.93 15.91 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.451 1.094 . . . . 61.33 109.566 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 600' ' ' MET . . . . . . . . . . . . . 1.3 mtt -133.4 178.72 6.7 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.501 1.126 . . . . 71.31 111.007 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 601' ' ' ILE . . . . . 0.704 HG22 ' H ' ' B' ' 602' ' ' SER . 0.5 OUTLIER -135.42 179.77 3.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 72.44 109.304 -179.949 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 602' ' ' SER . . . . . 0.704 ' H ' HG22 ' B' ' 601' ' ' ILE . 4.3 t -143.56 159.71 41.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 55.44 109.911 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 603' ' ' GLY . . . . . . . . . . . . . . . 130.65 -10.74 5.76 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.472 1.108 . . . . 71.31 111.004 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 604' ' ' LEU . . . . . . . . . . . . . 2.8 tp -97.83 125.48 42.7 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.449 0.735 . . . . 63.33 109.285 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 605' ' ' SER . . . . . . . . . . . . . 19.0 m -131.36 169.74 15.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.422 1.076 . . . . 73.05 110.055 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 606' ' ' VAL . . . . . 0.462 ' CG2' ' N ' ' B' ' 607' ' ' ILE . 0.9 OUTLIER -158.17 162.6 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 74.11 109.332 -179.914 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 607' ' ' ILE . . . . . 0.466 HG22 ' N ' ' B' ' 608' ' ' LYS . 5.6 mm -62.28 163.9 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 71.45 109.334 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 608' ' ' LYS . . . . . 0.466 ' N ' HG22 ' B' ' 607' ' ' ILE . 0.0 OUTLIER -127.75 139.35 52.73 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.542 1.152 . . . . 71.52 109.326 179.979 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 609' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -117.36 -174.21 2.56 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.443 1.09 . . . . 75.51 110.24 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 610' ' ' GLU . . . . . 0.842 ' O ' HG13 ' B' ' 611' ' ' VAL . 11.6 mm-40 -47.45 173.03 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.557 1.161 . . . . 74.31 110.255 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 611' ' ' VAL . . . . . 0.842 HG13 ' O ' ' B' ' 610' ' ' GLU . 0.7 OUTLIER -166.57 159.42 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.493 1.12 . . . . 74.53 109.354 179.95 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 612' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -131.99 -69.14 0.61 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.481 1.113 . . . . 72.22 110.264 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 613' ' ' ARG . . . . . 0.439 ' NH1' ' O ' ' A' ' 45' ' ' ASP . 16.8 ptp180 -117.76 -37.01 3.52 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.588 1.18 . . . . 71.31 110.368 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 614' ' ' LEU . . . . . 0.677 HD22 ' HZ3' ' B' ' 621' ' ' TRP . 2.7 pp -114.5 139.58 49.44 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.574 1.172 . . . . 75.01 109.295 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 615' ' ' GLY . . . . . 0.408 ' O ' ' O ' ' B' ' 616' ' ' ASN . . . -131.62 -42.68 0.18 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.519 1.137 . . . . 55.23 110.942 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 616' ' ' ASN . . . . . 0.411 ' O ' ' C ' ' B' ' 617' ' ' ASP . 6.0 t30 -53.04 -173.81 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.531 0.783 . . . . 73.32 109.251 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 617' ' ' ASP . . . . . 0.425 ' O ' HG13 ' B' ' 618' ' ' VAL . 76.6 m-20 -39.42 -89.32 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.56 1.163 . . . . 64.21 109.384 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 618' ' ' VAL . . . . . 0.72 HG11 ' HG2' ' A' ' 17' ' ' GLU . 0.1 OUTLIER -153.51 135.88 6.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 73.24 109.319 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 619' ' ' PHE . . . . . 0.511 ' HA ' ' CZ3' ' B' ' 621' ' ' TRP . 5.8 m-85 72.5 32.48 1.58 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.122 . . . . 72.23 111.054 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 620' ' ' GLU . . . . . . . . . . . . . 1.6 pp20? -50.08 -22.21 1.55 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 53.42 110.278 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 621' ' ' TRP . . . . . 0.677 ' HZ3' HD22 ' B' ' 614' ' ' LEU . 7.0 p90 -90.69 -179.38 5.52 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 107.974 -1.121 . . . . 73.32 107.974 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 622' ' ' GLU . . . . . 0.615 ' O ' ' CD1' ' B' ' 621' ' ' TRP . 0.2 OUTLIER -68.37 173.45 4.87 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.596 1.185 . . . . 64.15 110.326 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 623' ' ' ASP . . . . . 0.402 ' CG ' ' OE2' ' B' ' 628' ' ' GLU . 45.5 m-20 59.86 70.99 0.6 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 72.32 109.308 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 624' ' ' ASP . . . . . . . . . . . . . 10.2 t0 -79.95 -82.52 0.11 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.587 1.179 . . . . 63.21 109.27 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 625' ' ' GLU . . . . . 0.419 ' O ' ' C ' ' B' ' 626' ' ' SER . 1.7 pt-20 -84.76 9.65 13.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.578 1.174 . . . . 75.1 110.313 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 626' ' ' SER . . . . . 0.419 ' C ' ' O ' ' B' ' 625' ' ' GLU . 13.2 p -38.02 155.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 72.44 110.066 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 627' ' ' ASP . . . . . . . . . . . . . 22.5 p-10 -82.87 5.03 23.12 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.604 1.19 . . . . 61.45 109.342 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 628' ' ' GLU . . . . . 0.486 ' O ' ' CG1' ' A' ' 63' ' ' VAL . 5.9 pt-20 -76.06 -11.21 59.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.442 1.089 . . . . 70.04 110.331 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 629' ' ' ILE . . . . . 0.607 ' C ' HD12 ' B' ' 629' ' ' ILE . 1.5 pp -109.27 27.75 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.536 1.148 . . . . 61.41 109.313 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 630' ' ' ALA . . . . . 0.996 ' C ' HG21 ' A' ' 63' ' ' VAL . . . . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.54 1.15 . . . . 73.25 109.332 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 0' ' ' HIS . . . . . . . . . . . . . 68.2 m80 . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.562 -0.533 . . . . 72.51 109.562 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 35.8 mtp -80.95 -165.85 1.0 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.112 . . . . 71.22 111.003 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.68 -49.92 1.5 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.618 1.199 . . . . 64.1 109.246 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.449 ' CB ' ' HD3' ' A' ' 47' ' ' ARG . 13.1 m -105.53 154.34 20.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 61.21 109.948 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.442 ' O ' ' N ' ' A' ' 7' ' ' SER . 2.8 p -130.68 -77.06 0.53 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 74.44 110.411 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.622 ' CZ ' HG12 ' B' ' 618' ' ' VAL . 0.8 OUTLIER -47.43 -23.74 0.67 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.49 1.119 . . . . 75.11 111.001 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.472 ' HG3' ' CZ ' ' A' ' 14' ' ' ARG . 13.2 tttm -100.46 -26.56 13.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.112 . . . . 72.11 109.288 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.442 ' N ' ' O ' ' A' ' 4' ' ' THR . 0.6 OUTLIER -72.8 -3.67 26.88 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.608 1.193 . . . . 63.35 110.047 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.477 ' HB3' ' CD1' ' A' ' 9' ' ' TYR . 35.6 tt0 -85.05 -56.22 3.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 75.05 110.267 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.596 ' OH ' ' CE2' ' A' ' 5' ' ' PHE . 0.3 OUTLIER -121.06 168.93 9.81 Favored Pre-proline 0 C--N 1.324 -0.528 0 O-C-N 124.501 1.126 . . . . 62.13 111.003 179.972 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.433 ' CG ' ' HG3' ' B' ' 609' ' ' GLN . 18.1 Cg_endo -75.03 -176.76 3.04 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.547 1.814 . . . . 44.44 110.969 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.53 ' CD1' ' C ' ' A' ' 11' ' ' PHE . 0.2 OUTLIER -70.84 -36.58 72.95 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.129 . . . . 73.12 110.963 -179.961 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 -59.18 -20.24 52.13 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 72.25 110.339 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.45 ' HA ' ' CE ' ' A' ' 13' ' ' LYS . 1.3 tpmt? -77.68 -22.7 50.14 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.141 . . . . 72.31 109.257 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.601 ' NH2' HH21 ' A' ' 47' ' ' ARG . 0.2 OUTLIER -91.34 -39.16 12.18 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.434 1.084 . . . . 72.4 110.212 -179.899 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 40.5 pttt -60.99 -38.4 85.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 63.02 109.27 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -78.19 -21.32 50.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.103 . . . . 52.13 109.308 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.472 ' HG2' ' CG1' ' B' ' 618' ' ' VAL . 26.8 tp10 -75.32 -56.45 4.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 64.25 110.336 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 51.9 p -59.52 -15.74 19.95 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.613 1.195 . . . . 73.4 109.955 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -68.76 -23.34 64.31 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.492 1.12 . . . . 72.31 110.297 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 8.6 mtm180 -101.75 -37.98 8.07 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.514 1.134 . . . . 74.03 110.344 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 11.4 mt -59.16 -20.98 18.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.54 1.15 . . . . 70.13 109.292 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -76.2 -25.03 54.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.46 1.1 . . . . 53.32 109.289 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -92.9 -20.08 21.01 Favored 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.548 1.155 . . . . 74.04 109.283 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 7.1 mtp180 -90.12 -60.76 1.84 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 72.2 110.361 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -126.79 84.26 63.43 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 64.32 110.977 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 -24.5 12.85 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.588 1.836 . . . . 74.2 111.057 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.437 ' OD1' ' N ' ' A' ' 27' ' ' ASN . 0.1 OUTLIER -94.41 41.73 1.09 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.605 1.191 . . . . 72.44 109.333 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.503 ' O ' HD13 ' A' ' 29' ' ' ILE . 9.3 mmt85 -130.87 179.41 5.99 Favored 'General case' 0 C--N 1.327 -0.403 0 O-C-N 124.493 1.121 . . . . 75.13 110.187 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.503 HD13 ' O ' ' A' ' 28' ' ' ARG . 41.0 mm -141.4 97.59 6.76 Favored Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.475 1.11 . . . . 73.21 109.292 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.575 ' HD2' ' CE2' ' A' ' 95' ' ' TYR . 18.4 Cg_endo -75.03 126.45 9.96 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.514 1.797 . . . . 64.02 110.991 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.411 ' O ' ' O ' ' A' ' 49' ' ' TYR . 0.9 OUTLIER -137.16 173.73 12.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.51 1.131 . . . . 75.34 109.23 -179.965 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.662 HG22 ' HB2' ' A' ' 47' ' ' ARG . 6.2 mm -135.68 98.4 2.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.108 . . . . 65.24 109.297 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.646 ' HA ' HG13 ' A' ' 107' ' ' VAL . 1.7 t -73.64 136.65 43.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.543 1.152 . . . . 43.2 108.246 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.961 ' HB3' HG23 ' A' ' 108' ' ' THR . 8.5 tm-20 -144.37 161.13 39.76 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.491 1.119 . . . . 74.13 110.267 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.533 ' HG2' ' CE2' ' A' ' 109' ' ' TYR . 0.0 OUTLIER -117.44 128.45 55.02 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.439 1.087 . . . . 74.11 109.258 -179.949 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.422 ' N ' ' HD2' ' A' ' 35' ' ' LYS . . . -69.55 134.74 49.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.546 1.154 . . . . 61.54 109.338 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.426 ' CG ' ' N ' ' A' ' 38' ' ' LYS . 10.3 pt-20 -60.3 -53.25 59.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.571 1.169 . . . . 72.1 110.336 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.426 ' N ' ' CG ' ' A' ' 37' ' ' GLU . 10.6 mmmt -41.05 -45.0 2.56 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.632 1.207 . . . . 70.13 109.259 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.4 ' O ' ' O ' ' A' ' 38' ' ' LYS . 2.1 t -43.76 166.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 61.22 109.986 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 33.0 t0 -113.87 -5.97 13.22 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.128 . . . . 65.12 109.247 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.614 HD11 ' CE2' ' A' ' 109' ' ' TYR . 0.1 OUTLIER -74.39 165.65 51.68 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.536 1.147 . . . . 75.43 109.362 179.953 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.419 ' O ' HG21 ' A' ' 68' ' ' ILE . 18.2 Cg_endo -75.0 126.57 10.06 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.506 1.793 . . . . 64.4 110.983 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -63.47 145.22 56.06 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.464 1.103 . . . . 74.43 110.224 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.545 HD11 ' OH ' ' A' ' 49' ' ' TYR . 10.5 tt -68.82 160.94 4.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.432 1.083 . . . . 73.53 109.209 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.413 ' OD2' ' CD ' ' A' ' 46' ' ' LYS . 0.6 OUTLIER -64.27 -45.65 87.1 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.534 1.146 . . . . 74.13 109.293 179.951 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.575 ' HE2' ' CZ2' ' B' ' 621' ' ' TRP . 0.0 OUTLIER -153.81 163.03 40.72 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.459 1.099 . . . . 72.31 109.256 -179.905 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.662 ' HB2' HG22 ' A' ' 32' ' ' ILE . 9.2 ptm180 -109.48 95.49 5.66 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.463 1.102 . . . . 73.31 110.395 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.579 ' HB2' ' CD2' ' A' ' 5' ' ' PHE . 25.6 tptt -166.53 106.91 0.66 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 65.41 109.275 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.572 ' CE1' ' HB3' ' A' ' 33' ' ' CYS . 15.9 m-85 -133.36 150.46 51.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 72.34 111.074 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.446 HD13 ' HA ' ' A' ' 30' ' ' PRO . 6.9 tp -135.2 77.9 1.7 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.444 1.09 . . . . 74.33 109.311 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.737 HG11 ' CD1' ' A' ' 60' ' ' PHE . 16.0 m -79.6 151.3 74.22 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.501 1.126 . . . . 63.4 109.257 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.468 ' HD3' ' CB ' ' B' ' 630' ' ' ALA . 18.1 Cg_endo -75.06 -178.24 4.04 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.539 1.81 . . . . 72.44 110.879 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -93.81 17.84 11.35 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.434 1.083 . . . . 72.45 109.277 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.523 ' O ' ' CD2' ' A' ' 90' ' ' LEU . 0.2 OUTLIER -118.66 -35.58 3.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.632 1.207 . . . . 72.41 109.283 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.619 HD13 ' HB1' ' B' ' 630' ' ' ALA . 0.4 OUTLIER -60.71 132.42 53.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.417 1.073 . . . . 73.35 109.285 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.724 HG22 ' CD2' ' A' ' 90' ' ' LEU . 9.4 p -93.8 172.93 7.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.099 . . . . 33.54 110.382 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.4 ' HB ' ' O ' ' A' ' 86' ' ' PRO . 2.3 t -58.77 -55.59 22.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.582 1.176 . . . . 60.44 109.306 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -60.24 -13.99 31.1 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.568 1.167 . . . . 73.23 110.982 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.457 ' CG ' ' OG1' ' A' ' 56' ' ' THR . 3.6 mm100 -89.14 -26.47 21.3 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.504 0.767 . . . . 74.53 110.292 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.737 ' CD1' HG11 ' A' ' 51' ' ' VAL . 55.1 t80 -76.1 -49.54 17.13 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.426 1.079 . . . . 73.03 110.994 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.81 HG13 ' CG2' ' A' ' 76' ' ' ILE . 48.4 t -41.77 -41.11 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.543 1.152 . . . . 73.01 109.353 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -51.76 -44.59 63.41 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.444 1.09 . . . . 74.54 111.004 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.597 HG21 ' CA ' ' B' ' 630' ' ' ALA . 68.8 t -65.23 -45.37 93.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.368 1.043 . . . . 65.32 109.333 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.598 HG21 ' CG ' ' A' ' 109' ' ' TYR . 4.4 mm -60.47 -33.32 53.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 74.05 109.342 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.611 HH21 HG22 ' A' ' 76' ' ' ILE . 9.2 tpp85 -79.98 -3.28 47.66 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 63.25 110.25 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 1.2 mttm -93.46 -46.88 7.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.559 1.162 . . . . 71.45 109.342 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.416 ' HG3' HD11 ' A' ' 44' ' ' ILE . 4.2 mmp_? -52.7 -58.18 7.68 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.559 1.162 . . . . 74.15 110.264 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.498 ' O ' ' CG ' ' A' ' 69' ' ' MET . 7.1 pt -83.61 -3.47 7.62 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 O-C-N 124.519 1.137 . . . . 74.21 109.331 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.498 ' CG ' ' O ' ' A' ' 68' ' ' ILE . 4.9 ptp 42.77 44.03 3.64 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.438 1.086 . . . . 64.34 110.981 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.468 ' HB3' ' CD ' ' A' ' 65' ' ' ARG . 5.0 tp -62.59 140.91 96.9 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.641 1.213 . . . . 62.43 109.316 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 169.82 21.78 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.441 1.758 . . . . 75.31 111.002 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -74.94 -0.43 9.93 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.555 1.818 . . . . 73.31 110.999 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -92.0 6.6 45.74 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.544 1.153 . . . . 75.11 110.269 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.05 -179.37 4.13 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.521 1.138 . . . . 74.24 109.308 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -138.54 143.68 39.58 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.476 1.11 . . . . 54.01 109.248 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.81 ' CG2' HG13 ' A' ' 61' ' ' VAL . 2.1 tt -138.17 121.44 20.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.442 1.089 . . . . 71.13 109.297 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.668 ' HB3' HD21 ' A' ' 84' ' ' LEU . 90.9 m-85 -119.38 134.87 55.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.442 1.089 . . . . 70.23 110.999 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.596 ' O ' HD23 ' A' ' 84' ' ' LEU . 1.9 mm -84.39 138.03 19.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 70.04 109.268 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . 0.485 ' CE1' ' HB3' ' A' ' 115' ' ' PHE . 6.5 m-85 -127.28 125.2 40.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 63.12 111.056 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.734 ' O ' HG22 ' A' ' 83' ' ' THR . 2.6 t -130.16 105.85 12.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.54 1.15 . . . . 75.21 109.34 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . 0.478 ' ND2' ' CE1' ' A' ' 98' ' ' HIS . 1.5 m-80 71.2 21.93 4.57 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.487 1.117 . . . . 74.42 109.275 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . 0.465 ' CB ' ' O ' ' A' ' 81' ' ' ASN . 1.0 OUTLIER 80.69 24.51 0.32 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.52 1.138 . . . . 75.13 109.274 179.964 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.734 HG22 ' O ' ' A' ' 80' ' ' VAL . 1.2 t -125.51 148.33 48.92 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.408 1.067 . . . . 74.25 110.429 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.668 HD21 ' HB3' ' A' ' 77' ' ' PHE . 1.8 mt -106.15 105.35 53.51 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 64.22 109.252 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.1 153.24 41.15 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.551 1.816 . . . . 73.14 111.024 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . 0.726 ' HD2' ' HB2' ' A' ' 89' ' ' ALA . 18.6 Cg_endo -74.88 177.01 9.11 Favored 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.535 1.808 . . . . 70.44 111.049 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 20.8 p -78.29 -33.24 49.54 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.424 1.078 . . . . 62.41 110.421 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -79.63 3.37 19.24 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 124.531 1.144 . . . . 71.44 109.266 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 1.048 ' HB1' HD11 ' A' ' 94' ' ' ILE . . . -77.49 60.34 2.07 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.375 1.047 . . . . 73.43 109.342 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.724 ' CD2' HG22 ' A' ' 56' ' ' THR . 12.9 mt -28.98 117.94 0.12 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.44 1.088 . . . . 71.21 109.334 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . 0.591 ' HE2' HG21 ' A' ' 51' ' ' VAL . 49.5 mmm -38.55 -28.92 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.506 1.129 . . . . 71.21 110.993 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . 0.454 ' N ' ' O ' ' A' ' 90' ' ' LEU . 1.0 OUTLIER -66.7 -51.92 50.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.457 1.098 . . . . 61.22 109.948 -179.959 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.448 ' N ' ' O ' ' A' ' 90' ' ' LEU . . . -68.37 -9.41 47.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.541 1.151 . . . . 70.44 109.292 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 1.048 HD11 ' HB1' ' A' ' 89' ' ' ALA . 24.1 mm -90.8 -47.07 14.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.457 1.098 . . . . 61.53 109.247 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . 0.833 ' CD2' HD23 ' A' ' 105' ' ' LEU . 7.1 t80 -70.04 -6.31 32.68 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.557 1.161 . . . . 52.14 111.073 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . 0.448 ' O ' ' CG ' ' A' ' 96' ' ' GLN . 2.3 tp60 -101.01 -9.84 21.08 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.41 1.069 . . . . 73.33 110.293 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -116.93 -11.46 10.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.14 . . . . 70.13 110.243 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . 0.478 ' CE1' ' ND2' ' A' ' 81' ' ' ASN . 36.8 m-70 -125.97 16.91 7.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.45 1.093 . . . . 62.03 109.668 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.474 ' HB3' ' O ' ' A' ' 95' ' ' TYR . 0.1 OUTLIER -55.46 156.51 4.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.548 1.155 . . . . 60.42 109.195 -179.875 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -125.02 170.16 11.42 Favored 'General case' 0 C--N 1.326 -0.413 0 O-C-N 124.485 1.116 . . . . 64.51 109.269 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 32.6 mtmt -60.03 -27.04 66.57 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 74.24 109.347 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . 0.475 ' HB3' ' CE2' ' A' ' 11' ' ' PHE . 0.5 OUTLIER -86.19 -15.92 39.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.433 1.083 . . . . 52.35 109.243 -179.972 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . 0.591 ' O ' ' CE2' ' A' ' 95' ' ' TYR . . . 90.63 -36.45 3.59 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.513 1.133 . . . . 42.14 110.948 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 18.4 m-85 -64.12 131.67 48.19 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.429 0.723 . . . . 73.23 110.991 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.833 HD23 ' CD2' ' A' ' 95' ' ' TYR . 0.2 OUTLIER -75.55 147.88 39.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.607 1.192 . . . . 74.42 109.414 179.964 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 60.0 m-85 -121.95 95.24 4.58 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.415 1.072 . . . . 64.4 111.038 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.646 HG13 ' HA ' ' A' ' 33' ' ' CYS . 2.6 p -105.23 165.57 3.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.527 1.142 . . . . 71.32 109.372 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . 0.961 HG23 ' HB3' ' A' ' 34' ' ' GLU . 0.4 OUTLIER -154.57 118.2 4.59 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.122 . . . . 74.21 110.382 179.967 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' TYR . . . . . 0.664 ' CD2' HD11 ' A' ' 76' ' ' ILE . 32.6 p90 -97.76 137.49 36.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.455 1.097 . . . . 63.54 110.976 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 1.2 p -132.3 158.22 42.42 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.532 1.145 . . . . 73.5 110.001 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . 0.478 ' HA3' ' CG2' ' A' ' 41' ' ' ILE . . . -81.87 0.95 87.77 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.473 1.108 . . . . 54.34 110.995 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -122.83 158.96 29.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 0.774 . . . . 65.25 110.387 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . 0.508 ' ND2' HD13 ' A' ' 84' ' ' LEU . 9.3 t-20 -102.85 -3.9 25.62 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.425 1.078 . . . . 71.13 109.327 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -71.8 151.65 43.31 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.517 1.136 . . . . 73.22 110.429 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . 0.485 ' HB3' ' CE1' ' A' ' 79' ' ' PHE . 1.0 OUTLIER -143.77 71.19 1.32 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.45 1.094 . . . . 74.33 111.034 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 O-C-N 124.562 1.164 . . . . 63.52 110.965 179.914 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 597' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 N-CA-C 110.932 -0.867 . . . . 75.34 110.932 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 598' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 121.9 6.88 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.436 1.756 . . . . 62.55 110.966 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 599' ' ' HIS . . . . . . . . . . . . . 63.9 t-80 -98.65 137.23 37.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.418 1.074 . . . . 61.33 109.555 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 600' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -103.47 164.67 11.51 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.442 1.089 . . . . 71.31 110.92 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 601' ' ' ILE . . . . . 0.457 HD13 ' HA ' ' B' ' 601' ' ' ILE . 17.1 mm -110.07 -16.17 9.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.582 1.176 . . . . 72.44 109.304 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 602' ' ' SER . . . . . . . . . . . . . 4.2 m 51.12 51.39 17.1 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.387 1.055 . . . . 55.44 109.921 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 603' ' ' GLY . . . . . . . . . . . . . . . -126.69 -143.05 5.76 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.515 1.135 . . . . 71.31 111.083 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 604' ' ' LEU . . . . . . . . . . . . . 1.2 pt? -130.48 141.51 50.51 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.437 0.728 . . . . 63.33 109.275 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 605' ' ' SER . . . . . . . . . . . . . 2.0 t -169.17 175.18 5.8 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.592 1.182 . . . . 73.05 110.042 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 606' ' ' VAL . . . . . . . . . . . . . 6.3 m -78.35 172.04 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.437 1.086 . . . . 74.11 109.373 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 607' ' ' ILE . . . . . 0.652 ' N ' HD13 ' B' ' 607' ' ' ILE . 1.8 mm -74.88 157.31 6.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.582 1.176 . . . . 71.45 109.305 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 608' ' ' LYS . . . . . . . . . . . . . 63.0 mttt -133.95 102.14 5.32 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.496 1.123 . . . . 71.52 109.281 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 609' ' ' GLN . . . . . 0.433 ' HG3' ' CG ' ' A' ' 10' ' ' PRO . 6.1 mp0 -118.61 142.61 47.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.596 1.185 . . . . 75.51 110.235 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 610' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -119.92 -179.52 3.94 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.595 1.184 . . . . 74.31 110.219 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 611' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -148.13 137.77 16.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.475 1.109 . . . . 74.53 109.323 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 612' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -122.52 -52.92 1.91 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.506 1.129 . . . . 72.22 110.256 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 613' ' ' ARG . . . . . 0.654 ' CG ' HD12 ' B' ' 614' ' ' LEU . 18.9 ptt180 -138.01 -45.11 0.52 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.435 1.084 . . . . 71.31 110.328 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 614' ' ' LEU . . . . . 0.797 HD21 ' CZ3' ' B' ' 621' ' ' TRP . 4.2 mp -67.86 -114.99 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.1 . . . . 75.01 109.276 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 615' ' ' GLY . . . . . . . . . . . . . . . 142.8 -133.16 5.41 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.464 1.102 . . . . 55.23 110.935 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 616' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -65.16 -57.52 8.35 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 0.762 . . . . 73.32 109.298 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 617' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -54.99 -169.8 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.519 1.137 . . . . 64.21 109.263 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 618' ' ' VAL . . . . . 0.622 HG12 ' CZ ' ' A' ' 5' ' ' PHE . 0.0 OUTLIER -130.88 57.69 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.579 1.175 . . . . 73.24 109.27 179.977 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 619' ' ' PHE . . . . . 0.649 ' N ' HD23 ' B' ' 614' ' ' LEU . 2.4 m-85 178.67 -85.28 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.555 1.159 . . . . 72.23 110.988 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 620' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 64.14 11.16 6.02 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.449 1.093 . . . . 53.42 110.291 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 621' ' ' TRP . . . . . 0.797 ' CZ3' HD21 ' B' ' 614' ' ' LEU . 1.4 p90 -133.65 179.22 6.36 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 108.008 -1.108 . . . . 73.32 108.008 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 622' ' ' GLU . . . . . 0.523 ' O ' ' CD1' ' B' ' 621' ' ' TRP . 12.9 tp10 -42.87 166.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.123 . . . . 64.15 110.32 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 623' ' ' ASP . . . . . 0.405 ' CG ' ' OE1' ' B' ' 628' ' ' GLU . 1.2 m-20 46.13 82.94 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.468 1.105 . . . . 72.32 109.356 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 624' ' ' ASP . . . . . 0.559 ' O ' ' CE2' ' B' ' 619' ' ' PHE . 1.2 t70 -76.14 -69.36 0.51 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.494 1.121 . . . . 63.21 109.284 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 625' ' ' GLU . . . . . 0.455 ' O ' ' C ' ' B' ' 626' ' ' SER . 1.9 pp20? -118.8 -8.24 10.35 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.47 1.106 . . . . 75.1 110.283 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 626' ' ' SER . . . . . 0.455 ' C ' ' O ' ' B' ' 625' ' ' GLU . 52.5 p -35.26 142.75 0.05 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.46 1.1 . . . . 72.44 109.971 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 627' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -82.33 5.87 18.83 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.544 1.152 . . . . 61.45 109.335 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 628' ' ' GLU . . . . . 0.405 ' OE1' ' CG ' ' B' ' 623' ' ' ASP . 5.8 pt-20 -58.6 -25.3 62.49 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.511 1.132 . . . . 70.04 110.292 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 629' ' ' ILE . . . . . 0.585 ' HA ' HG11 ' A' ' 63' ' ' VAL . 0.5 OUTLIER -89.09 15.13 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 O-C-N 124.499 1.124 . . . . 61.41 109.209 -179.968 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 630' ' ' ALA . . . . . 0.619 ' HB1' HD13 ' A' ' 55' ' ' LEU . . . . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 73.25 109.284 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 0' ' ' HIS . . . . . . . . . . . . . 41.8 m170 . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 109.546 -0.539 . . . . 72.51 109.546 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.426 ' HE1' HG22 ' A' ' 4' ' ' THR . 9.1 ptm -44.48 163.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.565 1.165 . . . . 71.22 110.993 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 44.6 mttt -121.34 -44.91 2.35 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.486 1.116 . . . . 64.1 109.371 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.517 ' HA ' ' CZ ' ' A' ' 47' ' ' ARG . 17.5 m -127.8 160.18 32.55 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 61.21 109.978 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.426 HG22 ' HE1' ' A' ' 1' ' ' MET . 0.9 OUTLIER -113.75 -82.13 0.6 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.365 1.041 . . . . 74.44 110.332 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.71 ' CE2' HG12 ' B' ' 618' ' ' VAL . 28.7 t80 -63.95 -16.97 62.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.54 1.15 . . . . 75.11 111.109 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.54 ' HE2' ' CE2' ' A' ' 106' ' ' TYR . 4.9 tptt -100.64 -14.99 17.92 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.487 1.117 . . . . 72.11 109.312 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.463 ' CB ' ' O ' ' A' ' 3' ' ' SER . 10.0 t -96.03 5.28 51.53 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.524 1.14 . . . . 63.35 110.005 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.835 ' HG2' HD12 ' B' ' 614' ' ' LEU . 9.3 tp10 -80.9 -64.67 1.14 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.553 1.158 . . . . 75.05 110.27 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.641 ' OH ' ' CZ ' ' A' ' 5' ' ' PHE . 4.7 p90 -112.5 166.39 11.09 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.456 1.097 . . . . 62.13 111.008 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -74.97 -176.76 3.03 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.514 1.797 . . . . 44.44 111.056 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.458 ' CE1' ' HD3' ' A' ' 15' ' ' LYS . 22.7 t80 -63.86 -50.21 69.73 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.515 1.134 . . . . 73.12 111.004 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 25.6 mt-10 -47.78 -21.1 0.35 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.553 1.158 . . . . 72.25 110.347 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.52 ' HB3' ' CD2' ' A' ' 9' ' ' TYR . 0.1 OUTLIER -86.55 -54.5 4.37 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.548 1.155 . . . . 72.31 109.311 179.945 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.507 ' CZ ' ' OH ' ' A' ' 106' ' ' TYR . 22.0 ptt180 -65.47 -12.89 56.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 72.4 110.271 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.458 ' HD3' ' CE1' ' A' ' 11' ' ' PHE . 26.3 pttt -87.94 -40.62 13.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.549 1.156 . . . . 63.02 109.293 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -80.55 -8.43 59.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.573 1.17 . . . . 52.13 109.302 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.767 ' CD ' HG21 ' B' ' 618' ' ' VAL . 3.3 tp10 -86.7 -61.98 1.61 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.519 1.137 . . . . 64.25 110.322 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.404 ' OG ' ' O ' ' A' ' 14' ' ' ARG . 0.0 OUTLIER -56.55 -17.99 10.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.102 . . . . 73.4 109.937 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -75.25 -37.37 61.02 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.463 1.102 . . . . 72.31 110.286 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.413 ' CG ' ' O ' ' A' ' 17' ' ' GLU . 6.3 ptm180 -87.19 -27.77 22.81 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.397 1.06 . . . . 74.03 110.253 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.432 ' O ' ' N ' ' A' ' 25' ' ' PHE . 3.6 mt -58.55 -19.84 15.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.129 . . . . 70.13 109.321 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -70.48 -29.79 66.42 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.515 1.135 . . . . 53.32 109.298 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -84.12 -40.0 18.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.569 1.168 . . . . 74.04 109.284 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.56 ' HB3' ' CE2' ' A' ' 25' ' ' PHE . 10.7 mtp180 -80.29 -18.47 49.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.577 1.173 . . . . 72.2 110.302 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.56 ' CE2' ' HB3' ' A' ' 24' ' ' ARG . 39.7 m-85 -159.37 75.36 3.21 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 64.32 110.997 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -38.07 1.73 Allowed 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.491 1.785 . . . . 74.2 110.947 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 35.1 m-20 -91.74 41.48 1.07 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 72.44 109.314 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.56 ' HB3' HD11 ' A' ' 50' ' ' LEU . 2.6 mmt-85 -129.6 -178.43 4.68 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.127 . . . . 75.13 110.327 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.576 HG23 ' CB ' ' A' ' 95' ' ' TYR . 34.9 mm -146.56 97.11 4.35 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.462 1.101 . . . . 73.21 109.254 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.592 ' HD2' ' CE2' ' A' ' 95' ' ' TYR . 18.4 Cg_endo -74.93 139.93 25.04 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.48 1.779 . . . . 64.02 111.007 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.7 HG23 ' HB3' ' A' ' 105' ' ' LEU . 7.5 p -156.96 139.57 6.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 75.34 109.312 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.48 HG23 ' HB2' ' A' ' 47' ' ' ARG . 12.3 mm -100.24 116.77 44.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 65.24 109.352 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.576 ' HB2' ' CD2' ' A' ' 49' ' ' TYR . 0.5 OUTLIER -99.56 130.36 45.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 43.2 108.258 -179.948 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.733 ' CG ' HG23 ' A' ' 108' ' ' THR . 7.6 pt-20 -127.4 166.07 18.58 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 74.13 110.267 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.512 ' HG2' ' CE1' ' A' ' 109' ' ' TYR . 0.0 OUTLIER -107.62 97.41 7.14 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.484 1.115 . . . . 74.11 109.231 -179.922 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.566 ' HB2' HG22 ' A' ' 108' ' ' THR . . . -38.7 141.93 0.24 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.432 1.083 . . . . 61.54 109.303 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.422 ' CG ' ' N ' ' A' ' 38' ' ' LYS . 9.9 pt-20 -67.95 -53.07 29.0 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.467 1.104 . . . . 72.1 110.242 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.422 ' N ' ' CG ' ' A' ' 37' ' ' GLU . 35.9 mttp -47.16 -25.29 0.86 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.453 1.095 . . . . 70.13 109.306 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.413 ' N ' ' C ' ' A' ' 37' ' ' GLU . 2.9 t -59.79 156.69 13.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 61.22 110.034 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -115.95 -0.58 12.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.111 . . . . 65.12 109.334 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.577 HD11 ' CE1' ' A' ' 109' ' ' TYR . 0.1 OUTLIER -77.78 170.08 17.97 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 75.43 109.297 -179.971 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.406 ' HD2' ' HB ' ' A' ' 41' ' ' ILE . 18.2 Cg_endo -75.02 129.34 12.24 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.599 1.842 . . . . 64.4 110.93 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 14.0 tt0 -57.96 166.34 1.53 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.432 1.082 . . . . 74.43 110.285 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.41 HD11 ' OH ' ' A' ' 49' ' ' TYR . 17.3 tt -96.54 167.37 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 73.53 109.217 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.653 ' HB3' ' HZ3' ' A' ' 46' ' ' LYS . 7.9 t0 -69.23 -51.75 34.62 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.415 1.072 . . . . 74.13 109.356 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.653 ' HZ3' ' HB3' ' A' ' 45' ' ' ASP . 0.0 OUTLIER -144.45 177.07 8.91 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.524 1.14 . . . . 72.31 109.363 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.517 ' CZ ' ' HA ' ' A' ' 3' ' ' SER . 7.7 ptp180 -124.42 92.74 3.73 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 73.31 110.291 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.591 ' HG3' ' CZ ' ' A' ' 5' ' ' PHE . 4.1 tmtt? -167.69 115.09 0.75 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.443 1.089 . . . . 65.41 109.3 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.642 ' CZ ' ' CD1' ' A' ' 64' ' ' ILE . 58.5 m-85 -139.21 116.11 10.88 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.542 1.151 . . . . 72.34 110.946 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.56 HD11 ' HB3' ' A' ' 28' ' ' ARG . 11.6 tp -106.32 75.55 1.09 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 74.33 109.243 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.832 HG21 ' SD ' ' A' ' 91' ' ' MET . 34.1 m -75.11 156.06 86.07 Favored Pre-proline 0 C--N 1.324 -0.536 0 O-C-N 124.492 1.12 . . . . 63.4 109.312 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -74.88 174.3 12.99 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.411 1.743 . . . . 72.44 111.055 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -87.38 18.81 3.57 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 72.45 109.355 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -120.11 -38.38 2.94 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 72.41 109.359 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.594 HD21 ' O ' ' B' ' 630' ' ' ALA . 0.7 OUTLIER -58.53 148.93 26.84 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.44 1.088 . . . . 73.35 109.269 179.944 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.484 HG22 HD12 ' A' ' 90' ' ' LEU . 1.3 p -106.61 -158.2 0.65 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 33.54 110.405 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.682 ' O ' HG23 ' A' ' 61' ' ' VAL . 2.6 t -86.81 -41.37 14.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 60.44 109.192 -179.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -66.73 -27.73 73.42 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.5 1.125 . . . . 73.23 111.044 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.417 ' CB ' ' HG ' ' A' ' 55' ' ' LEU . 11.6 mt-30 -81.16 -25.52 36.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 0.776 . . . . 74.53 110.275 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.407 ' HE1' ' CD1' ' A' ' 49' ' ' TYR . 36.0 t80 -78.85 -42.6 27.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 73.03 110.988 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.719 HG13 HG23 ' A' ' 76' ' ' ILE . 89.6 t -55.43 -32.52 29.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 73.01 109.297 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -57.11 -43.29 82.14 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.518 1.136 . . . . 74.54 110.939 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.602 HG21 ' C ' ' B' ' 630' ' ' ALA . 28.5 t -68.64 -46.5 79.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 65.32 109.328 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.642 ' CD1' ' CZ ' ' A' ' 49' ' ' TYR . 18.3 mm -59.2 -34.41 53.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.591 1.182 . . . . 74.05 109.334 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.533 ' HE ' HG22 ' A' ' 76' ' ' ILE . 6.0 tpp85 -79.36 -6.4 56.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 63.25 110.369 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 2.2 mttm -98.0 -35.69 10.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.453 1.096 . . . . 71.45 109.295 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.45 -39.79 84.78 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.565 1.165 . . . . 74.15 110.299 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.485 HD11 HD12 ' A' ' 76' ' ' ILE . 2.5 pt -103.89 6.96 10.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.461 1.101 . . . . 74.21 109.253 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 4.7 ptt? 38.11 43.42 0.56 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.443 1.089 . . . . 64.34 110.972 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.44 HD12 ' HA ' ' A' ' 70' ' ' LEU . 5.5 tp -53.47 140.48 46.23 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.424 1.077 . . . . 62.43 109.316 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 170.1 21.15 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.489 1.784 . . . . 75.31 111.003 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.92 -1.36 11.1 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.515 1.797 . . . . 73.31 110.977 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 20.1 pt-20 -94.12 -14.91 25.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.109 . . . . 75.11 110.337 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 11.8 mttt -107.43 -179.5 3.94 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.122 . . . . 74.24 109.29 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -144.71 170.26 16.42 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.467 1.105 . . . . 54.01 109.36 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.811 HD11 ' CD1' ' A' ' 109' ' ' TYR . 1.3 tt -154.49 129.44 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 71.13 109.311 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.723 ' HB3' HD11 ' A' ' 84' ' ' LEU . 95.7 m-85 -129.07 136.36 50.15 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.459 1.099 . . . . 70.23 110.997 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.647 ' CG1' HG22 ' A' ' 61' ' ' VAL . 4.8 mm -86.49 130.64 36.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.456 1.097 . . . . 70.04 109.31 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . 0.443 ' CZ ' ' O ' ' A' ' 114' ' ' THR . 4.1 m-85 -119.98 121.17 38.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.572 1.17 . . . . 63.12 111.039 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.814 HG22 ' ND2' ' A' ' 81' ' ' ASN . 13.1 p -124.33 113.58 37.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 75.21 109.311 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . 0.814 ' ND2' HG22 ' A' ' 80' ' ' VAL . 0.9 OUTLIER 67.25 32.44 6.0 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.467 1.104 . . . . 74.42 109.315 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 15.1 t0 66.35 14.54 9.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.423 1.077 . . . . 75.13 109.297 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.51 ' O ' ' CG2' ' A' ' 83' ' ' THR . 0.5 OUTLIER -125.45 111.75 15.46 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.436 1.085 . . . . 74.25 110.382 -179.961 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.723 HD11 ' HB3' ' A' ' 77' ' ' PHE . 0.4 OUTLIER -72.11 116.87 53.07 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.539 1.149 . . . . 64.22 109.32 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . 0.423 ' HD3' HG12 ' A' ' 80' ' ' VAL . 18.3 Cg_endo -74.91 159.87 41.12 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.375 1.724 . . . . 73.14 111.005 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . 0.786 ' HD2' ' HB2' ' A' ' 89' ' ' ALA . 18.8 Cg_endo -75.0 177.85 8.05 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.544 1.813 . . . . 70.44 111.003 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 4.6 p -79.33 -33.6 42.97 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.507 1.13 . . . . 62.41 110.403 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -84.08 9.62 12.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.1 . . . . 71.44 109.347 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 1.052 ' HB1' HD11 ' A' ' 94' ' ' ILE . . . -74.71 63.2 1.12 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 73.43 109.27 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.531 ' C ' ' O ' ' A' ' 89' ' ' ALA . 0.7 OUTLIER -30.37 111.19 0.07 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 71.21 109.333 179.97 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . 0.832 ' SD ' HG21 ' A' ' 51' ' ' VAL . 0.0 OUTLIER -37.37 -30.27 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.135 . . . . 71.21 110.961 -179.965 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . 0.46 ' N ' ' O ' ' A' ' 90' ' ' LEU . 2.2 t -63.37 -52.23 62.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.146 . . . . 61.22 110.009 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.463 ' N ' ' O ' ' A' ' 90' ' ' LEU . . . -67.99 -32.45 72.85 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.456 1.097 . . . . 70.44 109.207 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 1.052 HD11 ' HB1' ' A' ' 89' ' ' ALA . 25.5 mm -64.49 -47.1 90.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.426 1.079 . . . . 61.53 109.308 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . 0.592 ' CE2' ' HD2' ' A' ' 30' ' ' PRO . 33.6 t80 -70.54 -4.58 23.7 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.465 1.103 . . . . 52.14 110.935 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . 0.454 ' CG ' ' O ' ' A' ' 96' ' ' GLN . 32.3 tp60 -104.19 -9.21 18.82 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.406 1.067 . . . . 73.33 110.383 179.882 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . 0.553 ' HG3' ' CE1' ' A' ' 98' ' ' HIS . 10.4 pt-20 -119.59 -7.61 10.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.142 . . . . 70.13 110.307 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . 0.582 ' HD2' HG23 ' A' ' 94' ' ' ILE . 23.7 m-70 -129.51 17.6 5.88 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.384 1.052 . . . . 62.03 109.627 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.494 ' HB3' ' O ' ' A' ' 95' ' ' TYR . 0.1 OUTLIER -60.29 160.25 8.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 60.42 109.293 -180.0 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -125.91 166.3 17.15 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 64.51 109.284 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 24.4 mtmt -54.02 -47.47 71.5 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.536 1.148 . . . . 74.24 109.292 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . 0.405 ' OD1' ' NE ' ' A' ' 14' ' ' ARG . 0.4 OUTLIER -66.95 -19.95 65.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.43 1.081 . . . . 52.35 109.262 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 101.04 -39.38 2.76 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.547 1.154 . . . . 42.14 111.035 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . 0.459 ' O ' ' CE1' ' A' ' 106' ' ' TYR . 1.5 m-85 -59.54 134.6 57.17 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.421 0.718 . . . . 73.23 110.996 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.7 ' HB3' HG23 ' A' ' 31' ' ' VAL . 4.3 tp -81.13 167.32 19.81 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.452 1.095 . . . . 74.42 109.251 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . 0.54 ' CE2' ' HE2' ' A' ' 6' ' ' LYS . 91.7 m-85 -145.07 131.54 19.75 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.511 1.132 . . . . 64.4 111.007 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.734 HG23 ' N ' ' A' ' 108' ' ' THR . 1.5 m -138.24 -177.66 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.459 1.099 . . . . 71.32 109.319 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . 0.734 ' N ' HG23 ' A' ' 107' ' ' VAL . 1.6 m -153.67 107.88 3.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 74.21 110.374 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' TYR . . . . . 0.811 ' CD1' HD11 ' A' ' 76' ' ' ILE . 9.7 p90 -95.2 122.08 37.51 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.518 1.136 . . . . 63.54 111.01 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 35.9 t -131.98 165.3 24.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.105 . . . . 73.5 109.961 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -81.18 2.17 82.38 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.488 1.117 . . . . 54.34 111.051 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -123.2 166.89 14.46 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.493 0.76 . . . . 65.25 110.29 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 63.2 t-20 -129.06 30.98 4.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.101 . . . . 71.13 109.304 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . 0.706 HG22 ' H ' ' A' ' 115' ' ' PHE . 4.2 m -89.53 -169.51 2.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 73.22 110.309 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . 0.706 ' H ' HG22 ' A' ' 114' ' ' THR . 2.9 p90 -113.95 96.91 6.07 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.423 1.077 . . . . 74.33 111.02 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.965 0 O-C-N 124.463 1.102 . . . . 63.52 110.994 -179.986 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 597' ' ' GLY . . . . . 0.405 ' N ' ' HD3' ' B' ' 598' ' ' PRO . . . . . . . . 0 CA--C 1.529 0.95 0 N-CA-C 111.001 -0.84 . . . . 75.34 111.001 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 598' ' ' PRO . . . . . 0.405 ' HD3' ' N ' ' B' ' 597' ' ' GLY . 18.1 Cg_endo -75.01 140.85 25.91 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.432 1.754 . . . . 62.55 111.034 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 599' ' ' HIS . . . . . . . . . . . . . 84.0 m-70 -43.46 163.61 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 61.33 109.583 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 600' ' ' MET . . . . . . . . . . . . . 31.6 ttp -79.72 4.7 15.47 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.465 1.103 . . . . 71.31 110.95 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 601' ' ' ILE . . . . . . . . . . . . . 1.4 tt -48.56 -24.41 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 72.44 109.25 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 602' ' ' SER . . . . . . . . . . . . . 1.8 m -134.2 -70.35 0.51 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 55.44 109.985 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 603' ' ' GLY . . . . . . . . . . . . . . . 85.6 67.7 1.39 Allowed Glycine 0 CA--C 1.532 1.097 0 O-C-N 124.456 1.097 . . . . 71.31 110.979 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 604' ' ' LEU . . . . . . . . . . . . . 53.2 tp -120.09 146.33 46.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.631 0.842 . . . . 63.33 109.298 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 605' ' ' SER . . . . . . . . . . . . . 89.6 p -176.96 123.59 0.14 Allowed 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.443 1.09 . . . . 73.05 109.996 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 606' ' ' VAL . . . . . 0.569 HG22 ' H ' ' B' ' 607' ' ' ILE . 0.7 OUTLIER -109.82 -172.43 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 O-C-N 124.458 1.099 . . . . 74.11 109.217 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 607' ' ' ILE . . . . . 0.569 ' H ' HG22 ' B' ' 606' ' ' VAL . 4.3 mm -120.66 169.86 11.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 71.45 109.313 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 608' ' ' LYS . . . . . 0.513 ' N ' HG22 ' B' ' 607' ' ' ILE . 0.0 OUTLIER -139.76 131.89 28.05 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.496 1.123 . . . . 71.52 109.323 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 609' ' ' GLN . . . . . . . . . . . . . 73.1 mm-40 -143.41 -173.84 4.05 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.428 1.08 . . . . 75.51 110.298 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 610' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -42.71 165.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.111 . . . . 74.31 110.2 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 611' ' ' VAL . . . . . . . . . . . . . 6.7 m -144.54 118.56 3.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.553 1.158 . . . . 74.53 109.301 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 612' ' ' GLU . . . . . 0.419 ' HG3' ' CG ' ' B' ' 613' ' ' ARG . 7.3 pt-20 -107.74 -42.15 4.81 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.407 1.067 . . . . 72.22 110.301 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 613' ' ' ARG . . . . . 0.419 ' CG ' ' HG3' ' B' ' 612' ' ' GLU . 0.3 OUTLIER -142.21 -44.73 0.33 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.596 1.185 . . . . 71.31 110.23 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 614' ' ' LEU . . . . . 0.835 HD12 ' HG2' ' A' ' 8' ' ' GLU . 0.5 OUTLIER -120.52 134.67 55.25 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.566 1.166 . . . . 75.01 109.274 -179.969 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 615' ' ' GLY . . . . . 0.4 ' O ' ' C ' ' B' ' 616' ' ' ASN . . . -139.7 -62.81 0.04 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.514 1.134 . . . . 55.23 110.978 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 616' ' ' ASN . . . . . 0.443 ' ND2' ' OE1' ' B' ' 620' ' ' GLU . 10.7 m-80 -40.17 -65.7 0.38 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.579 0.811 . . . . 73.32 109.325 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 617' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -114.39 150.41 34.68 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.599 1.187 . . . . 64.21 109.34 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 618' ' ' VAL . . . . . 0.767 HG21 ' CD ' ' A' ' 17' ' ' GLU . 70.0 t -45.96 -29.64 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.413 1.07 . . . . 73.24 109.286 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 619' ' ' PHE . . . . . 0.509 ' O ' ' CG ' ' B' ' 620' ' ' GLU . 7.0 m-85 -112.97 -67.72 0.98 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.548 1.155 . . . . 72.23 111.024 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 620' ' ' GLU . . . . . 0.509 ' CG ' ' O ' ' B' ' 619' ' ' PHE . 5.6 pt-20 48.78 33.89 4.76 Favored 'General case' 0 C--N 1.327 -0.406 0 O-C-N 124.463 1.102 . . . . 53.42 110.359 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 621' ' ' TRP . . . . . 0.632 ' CD1' ' O ' ' B' ' 622' ' ' GLU . 0.0 OUTLIER -145.01 160.48 41.3 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 107.93 -1.137 . . . . 73.32 107.93 -179.967 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 622' ' ' GLU . . . . . 0.632 ' O ' ' CD1' ' B' ' 621' ' ' TRP . 4.9 tp10 -41.11 163.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 64.15 110.367 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 623' ' ' ASP . . . . . 0.404 ' CG ' ' CD ' ' B' ' 628' ' ' GLU . 0.0 OUTLIER 55.82 49.65 15.69 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.55 1.156 . . . . 72.32 109.27 -179.958 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 624' ' ' ASP . . . . . 0.406 ' OD1' ' C ' ' B' ' 624' ' ' ASP . 2.3 t0 -53.54 -62.52 1.6 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.483 1.114 . . . . 63.21 109.336 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 625' ' ' GLU . . . . . 0.429 ' O ' ' C ' ' B' ' 626' ' ' SER . 2.3 pp20? -118.6 -7.76 10.53 Favored 'General case' 0 C--N 1.327 -0.408 0 O-C-N 124.522 1.139 . . . . 75.1 110.26 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 626' ' ' SER . . . . . 0.429 ' C ' ' O ' ' B' ' 625' ' ' GLU . 8.7 t -35.99 139.0 0.16 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.444 1.09 . . . . 72.44 109.954 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 627' ' ' ASP . . . . . . . . . . . . . 4.1 p30 -78.48 1.02 23.69 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.433 1.083 . . . . 61.45 109.204 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 628' ' ' GLU . . . . . 0.404 ' CD ' ' CG ' ' B' ' 623' ' ' ASP . 8.2 pt-20 -52.73 -19.66 2.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 70.04 110.314 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 629' ' ' ILE . . . . . 0.485 ' C ' HD12 ' B' ' 629' ' ' ILE . 0.7 OUTLIER -91.37 31.49 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.531 1.145 . . . . 61.41 109.32 179.933 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 630' ' ' ALA . . . . . 0.651 ' HA ' HG12 ' A' ' 51' ' ' VAL . . . . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 73.25 109.303 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 0' ' ' HIS . . . . . . . . . . . . . 70.7 m80 . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 109.544 -0.539 . . . . 72.51 109.544 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.1 ptp -122.99 166.96 14.23 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.528 1.143 . . . . 71.22 110.995 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.71 -52.37 1.69 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.377 1.048 . . . . 64.1 109.336 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.47 ' CB ' ' HD3' ' A' ' 47' ' ' ARG . 35.1 m -100.23 153.99 18.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.453 1.095 . . . . 61.21 109.955 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.491 ' OG1' ' CB ' ' A' ' 46' ' ' LYS . 22.5 p -134.66 -62.51 0.73 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.447 1.092 . . . . 74.44 110.319 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.598 ' CZ ' ' OH ' ' A' ' 9' ' ' TYR . 85.6 t80 -60.6 -32.54 71.66 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.097 . . . . 75.11 111.007 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.421 ' HE3' ' NH2' ' A' ' 47' ' ' ARG . 0.0 OUTLIER -100.55 3.86 43.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.456 1.098 . . . . 72.11 109.303 179.93 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 40.0 t -109.44 5.27 23.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 63.35 110.097 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.419 ' CG ' ' HA ' ' B' ' 611' ' ' VAL . 38.1 tt0 -93.35 -57.92 2.46 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.465 1.103 . . . . 75.05 110.281 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.598 ' OH ' ' CZ ' ' A' ' 5' ' ' PHE . 2.3 p90 -120.79 164.94 20.34 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 62.13 110.994 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.92 173.91 13.67 Favored 'Trans proline' 0 C--N 1.361 1.223 0 O-C-N 124.466 1.772 . . . . 44.44 111.078 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.547 ' CE1' ' HB3' ' A' ' 102' ' ' ASP . 4.8 t80 -59.34 -56.45 21.92 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.482 1.114 . . . . 73.12 110.981 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.402 ' N ' ' CD2' ' A' ' 11' ' ' PHE . 23.6 mt-10 -38.57 -30.14 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.64 1.213 . . . . 72.25 110.33 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.518 ' O ' ' HB3' ' A' ' 16' ' ' ALA . 2.1 tppt? -79.07 -51.6 9.35 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.581 1.175 . . . . 72.31 109.258 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.706 ' CD ' ' CD2' ' A' ' 104' ' ' PHE . 0.1 OUTLIER -56.44 -53.82 52.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 72.4 110.378 179.95 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 5.1 pttt -45.28 -42.59 9.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.138 . . . . 63.02 109.368 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.518 ' HB3' ' O ' ' A' ' 13' ' ' LYS . . . -54.96 -40.03 69.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.558 1.161 . . . . 52.13 109.314 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.714 ' HB2' HG21 ' B' ' 618' ' ' VAL . 24.9 tp10 -62.32 -43.93 97.68 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.437 1.086 . . . . 64.25 110.261 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.45 ' HB3' ' CD2' ' A' ' 104' ' ' PHE . 0.1 OUTLIER -68.97 -22.86 64.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 73.4 109.982 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 16.8 mm-40 -72.22 -23.75 61.29 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.352 1.033 . . . . 72.31 110.33 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.436 ' CG ' ' O ' ' A' ' 17' ' ' GLU . 3.3 ptp180 -101.74 -31.15 10.91 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.529 1.143 . . . . 74.03 110.235 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.418 ' N ' ' HG3' ' A' ' 20' ' ' ARG . 4.3 mt -65.94 -19.51 25.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 70.13 109.311 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -74.31 -20.02 60.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.437 1.085 . . . . 53.32 109.286 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -105.92 -11.04 16.34 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.443 1.089 . . . . 74.04 109.31 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 12.7 mmm180 -94.03 -55.24 3.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.107 . . . . 72.2 110.269 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.463 ' HB3' ' CG ' ' A' ' 28' ' ' ARG . 5.0 m-85 -132.76 86.01 45.27 Favored Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.562 1.164 . . . . 64.32 110.909 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -32.45 5.33 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.554 1.818 . . . . 74.2 111.037 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 22.7 m-20 -91.23 40.12 1.02 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.461 1.101 . . . . 72.44 109.309 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.463 ' CG ' ' HB3' ' A' ' 25' ' ' PHE . 8.4 mmt-85 -128.43 178.39 6.31 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.554 1.159 . . . . 75.13 110.275 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.57 HG23 ' CB ' ' A' ' 95' ' ' TYR . 23.6 mm -142.15 93.66 7.23 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.429 1.081 . . . . 73.21 109.279 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.597 ' HD2' ' CE2' ' A' ' 95' ' ' TYR . 18.1 Cg_endo -74.99 119.0 5.47 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.474 1.776 . . . . 64.02 111.02 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.511 HG13 HG22 ' A' ' 51' ' ' VAL . 1.0 OUTLIER -127.66 173.2 13.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.607 1.192 . . . . 75.34 109.301 -179.988 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.664 HG22 ' HB2' ' A' ' 47' ' ' ARG . 4.8 mm -137.05 99.11 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.485 1.116 . . . . 65.24 109.26 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.624 ' HA ' HG13 ' A' ' 107' ' ' VAL . 0.5 OUTLIER -84.86 123.87 30.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.138 . . . . 43.2 108.284 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.488 ' O ' ' CG2' ' A' ' 108' ' ' THR . 53.4 tt0 -135.02 152.43 51.71 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.484 1.115 . . . . 74.13 110.265 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.975 ' HZ3' ' CB ' ' A' ' 39' ' ' SER . 0.3 OUTLIER -87.44 123.82 32.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.452 1.095 . . . . 74.11 109.336 180.0 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.451 ' N ' ' HD2' ' A' ' 35' ' ' LYS . . . -57.02 -179.73 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 61.54 109.316 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.432 ' CG ' ' N ' ' A' ' 38' ' ' LYS . 12.9 pt-20 -96.96 -50.15 4.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 72.1 110.294 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.432 ' N ' ' CG ' ' A' ' 37' ' ' GLU . 38.0 mttp -57.65 -43.67 85.09 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.452 1.095 . . . . 70.13 109.319 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.975 ' CB ' ' HZ3' ' A' ' 35' ' ' LYS . 0.1 OUTLIER -40.72 158.32 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 61.22 109.976 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -122.48 21.01 10.31 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.489 1.118 . . . . 65.12 109.282 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.619 HD11 ' CE2' ' A' ' 109' ' ' TYR . 0.1 OUTLIER -89.48 166.07 22.83 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.466 1.104 . . . . 75.43 109.276 179.992 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.433 ' O ' HG21 ' A' ' 68' ' ' ILE . 18.4 Cg_endo -74.98 114.71 4.09 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.524 1.802 . . . . 64.4 110.99 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -48.97 156.49 0.5 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 74.43 110.322 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.518 ' CD1' ' OH ' ' A' ' 49' ' ' TYR . 5.7 tt -92.17 164.27 2.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.554 1.159 . . . . 73.53 109.322 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.437 ' N ' ' CG1' ' A' ' 44' ' ' ILE . 1.4 m-20 -55.78 -57.66 11.09 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.447 1.092 . . . . 74.13 109.307 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.491 ' CB ' ' OG1' ' A' ' 4' ' ' THR . 0.0 OUTLIER -148.79 166.71 27.65 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.425 1.078 . . . . 72.31 109.38 179.961 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.664 ' HB2' HG22 ' A' ' 32' ' ' ILE . 10.8 ptm180 -107.56 95.25 5.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.425 1.078 . . . . 73.31 110.292 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.52 ' HB2' ' CG ' ' A' ' 5' ' ' PHE . 12.5 tptp -166.34 105.7 0.65 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 65.41 109.229 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.612 ' CE2' ' CD1' ' A' ' 64' ' ' ILE . 23.8 m-85 -129.15 147.65 51.02 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.489 1.118 . . . . 72.34 110.997 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.421 HD13 ' HA ' ' A' ' 30' ' ' PRO . 3.1 tp -132.27 77.47 1.76 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.392 1.058 . . . . 74.33 109.304 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.759 HG11 ' CD1' ' A' ' 60' ' ' PHE . 19.0 m -80.62 149.83 68.74 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 63.4 109.295 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.479 ' HD3' ' CB ' ' B' ' 630' ' ' ALA . 18.2 Cg_endo -75.03 -178.36 4.12 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.518 1.799 . . . . 72.44 111.029 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -93.26 18.1 10.09 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.466 1.104 . . . . 72.45 109.277 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -118.58 -38.25 3.16 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.466 1.104 . . . . 72.41 109.29 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.439 ' HG ' ' CB ' ' A' ' 59' ' ' GLN . 0.7 OUTLIER -58.53 134.38 56.65 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.502 1.126 . . . . 73.35 109.201 -179.923 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 1.045 HG22 ' CD2' ' A' ' 90' ' ' LEU . 5.0 p -94.13 176.0 6.49 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 33.54 110.374 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.408 HG23 ' O ' ' A' ' 89' ' ' ALA . 2.9 t -63.7 -48.78 85.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 60.44 109.282 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -64.64 -10.64 45.25 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.534 1.146 . . . . 73.23 111.071 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.439 ' CB ' ' HG ' ' A' ' 55' ' ' LEU . 5.4 mt-30 -96.48 -25.5 15.64 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 0.752 . . . . 74.53 110.283 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.759 ' CD1' HG11 ' A' ' 51' ' ' VAL . 32.8 t80 -75.52 -47.62 26.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.579 1.174 . . . . 73.03 110.998 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.695 HG22 ' CG1' ' A' ' 78' ' ' ILE . 59.4 t -44.16 -39.29 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 O-C-N 124.378 1.049 . . . . 73.01 109.326 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.529 ' CG ' ' N ' ' A' ' 63' ' ' VAL . 0.2 OUTLIER -53.91 -62.72 1.47 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.151 . . . . 74.54 111.028 179.923 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.726 HG21 ' HA ' ' B' ' 630' ' ' ALA . 78.8 t -43.48 -36.17 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.107 . . . . 65.32 109.301 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.612 ' CD1' ' CE2' ' A' ' 49' ' ' TYR . 4.4 mm -68.84 -61.91 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 74.05 109.351 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.467 ' CD ' ' HB3' ' A' ' 70' ' ' LEU . 6.8 tpp85 -44.26 -28.1 0.49 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.528 1.142 . . . . 63.25 110.301 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.408 ' N ' ' HD2' ' A' ' 66' ' ' LYS . 2.2 mptp? -77.2 -43.62 33.01 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.502 1.126 . . . . 71.45 109.275 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.464 ' N ' ' O ' ' A' ' 64' ' ' ILE . 0.4 OUTLIER -59.43 -15.08 14.83 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.478 1.111 . . . . 74.15 110.294 -179.928 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.638 HD11 ' CD1' ' A' ' 76' ' ' ILE . 2.1 pt -130.57 7.5 2.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.515 1.134 . . . . 74.21 109.306 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.449 ' N ' ' O ' ' A' ' 65' ' ' ARG . 0.0 OUTLIER 35.5 34.34 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.581 1.176 . . . . 64.34 111.0 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.505 HD12 ' HA ' ' A' ' 70' ' ' LEU . 5.9 tp -49.32 140.01 13.42 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.442 1.088 . . . . 62.43 109.323 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' ' 70' ' ' LEU . 18.2 Cg_endo -75.04 165.72 30.66 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.579 1.831 . . . . 75.31 111.016 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 1.15 8.08 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.517 1.798 . . . . 73.31 111.001 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -99.0 6.76 46.54 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.517 1.136 . . . . 75.11 110.358 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.29 178.64 4.57 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.426 1.079 . . . . 74.24 109.297 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -138.58 149.14 44.98 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.503 1.127 . . . . 54.01 109.307 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.671 HD11 ' CD2' ' A' ' 109' ' ' TYR . 2.3 tt -142.7 122.51 9.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.558 1.161 . . . . 71.13 109.27 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.444 ' HB3' HD21 ' A' ' 84' ' ' LEU . 90.1 m-85 -121.19 137.48 54.65 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 70.23 110.99 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.695 ' CG1' HG22 ' A' ' 61' ' ' VAL . 4.1 mm -84.43 147.41 5.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.53 1.144 . . . . 70.04 109.342 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -136.49 124.45 22.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.106 . . . . 63.12 111.012 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.721 ' O ' HG22 ' A' ' 83' ' ' THR . 1.9 t -126.57 104.4 12.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 75.21 109.317 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . 0.513 ' ND2' ' CE1' ' A' ' 98' ' ' HIS . 1.9 m-80 69.77 23.34 5.72 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.501 1.125 . . . . 74.42 109.282 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . 0.49 ' CB ' ' O ' ' A' ' 81' ' ' ASN . 3.5 m-20 81.73 23.57 0.26 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 75.13 109.239 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.721 HG22 ' O ' ' A' ' 80' ' ' VAL . 1.2 t -121.22 152.08 39.25 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.525 1.141 . . . . 74.25 110.432 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.531 HD23 ' O ' ' A' ' 78' ' ' ILE . 2.1 mt -113.74 102.43 54.8 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.564 1.165 . . . . 64.22 109.307 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.08 155.09 42.55 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.475 1.776 . . . . 73.14 110.975 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . 0.732 ' HD2' ' HB2' ' A' ' 89' ' ' ALA . 18.2 Cg_endo -75.01 177.84 8.06 Favored 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.449 1.763 . . . . 70.44 110.97 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 15.8 p -78.43 -34.41 47.89 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.571 1.169 . . . . 62.41 110.347 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -79.58 4.31 16.27 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.448 1.093 . . . . 71.44 109.304 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 1.059 ' HB1' HD11 ' A' ' 94' ' ' ILE . . . -77.89 61.54 2.53 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.571 1.17 . . . . 73.43 109.264 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 1.045 ' CD2' HG22 ' A' ' 56' ' ' THR . 16.7 mt -29.35 125.65 0.12 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 71.21 109.27 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . 0.476 ' HE2' HG21 ' A' ' 51' ' ' VAL . 47.2 mmm -52.09 -20.11 2.3 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 71.21 110.967 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 25.1 t -73.29 -35.13 66.08 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.576 1.172 . . . . 61.22 109.905 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -89.12 -9.32 51.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 70.44 109.289 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 1.059 HD11 ' HB1' ' A' ' 89' ' ' ALA . 27.3 mm -87.65 -47.45 15.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.553 1.158 . . . . 61.53 109.248 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . 0.841 ' CD2' HD23 ' A' ' 105' ' ' LEU . 6.1 t80 -69.03 -6.45 28.06 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.6 1.187 . . . . 52.14 111.085 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -99.03 -13.35 19.91 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.523 1.139 . . . . 73.33 110.357 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -113.76 -11.42 12.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 70.13 110.373 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . 0.513 ' CE1' ' ND2' ' A' ' 81' ' ' ASN . 51.3 m-70 -124.82 16.48 8.66 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.589 1.181 . . . . 62.03 109.621 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.474 ' HB3' ' O ' ' A' ' 95' ' ' TYR . 0.1 OUTLIER -55.21 154.07 6.22 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.567 1.167 . . . . 60.42 109.374 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . 0.441 ' OD1' ' CE2' ' A' ' 106' ' ' TYR . 0.7 OUTLIER -121.81 177.16 5.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 64.51 109.252 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 17.4 mtpt -55.89 -51.42 67.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.563 1.164 . . . . 74.24 109.335 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . 0.547 ' HB3' ' CE1' ' A' ' 11' ' ' PHE . 8.7 p-10 -67.97 -15.38 63.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 52.35 109.327 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . 0.515 ' O ' ' CZ ' ' A' ' 95' ' ' TYR . . . 95.78 -39.34 2.86 Favored Glycine 0 CA--C 1.531 1.09 0 O-C-N 124.517 1.135 . . . . 42.14 110.995 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . 0.706 ' CD2' ' CD ' ' A' ' 14' ' ' ARG . 9.6 m-85 -51.14 155.85 1.22 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.522 0.777 . . . . 73.23 110.974 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.841 HD23 ' CD2' ' A' ' 95' ' ' TYR . 0.2 OUTLIER -99.83 139.91 34.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 74.42 109.335 179.938 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . 0.606 ' CZ ' ' NH2' ' A' ' 14' ' ' ARG . 60.7 m-85 -114.54 90.01 3.24 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.448 1.092 . . . . 64.4 110.987 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.624 HG13 ' HA ' ' A' ' 33' ' ' CYS . 9.9 p -101.13 165.61 2.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 71.32 109.214 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . 0.488 ' CG2' ' O ' ' A' ' 34' ' ' GLU . 0.3 OUTLIER -153.36 128.97 10.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.139 . . . . 74.21 110.316 -179.981 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' TYR . . . . . 0.671 ' CD2' HD11 ' A' ' 76' ' ' ILE . 37.6 p90 -108.54 132.92 53.36 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.51 1.131 . . . . 63.54 110.968 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 1.4 t -130.05 164.16 24.95 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.519 1.137 . . . . 73.5 110.056 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . 0.461 ' HA3' ' CG2' ' A' ' 41' ' ' ILE . . . -85.03 3.31 87.45 Favored Glycine 0 CA--C 1.531 1.069 0 O-C-N 124.451 1.094 . . . . 54.34 111.008 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -122.89 152.84 40.39 Favored 'General case' 0 C--N 1.327 -0.403 0 O-C-N 124.492 0.76 . . . . 65.25 110.263 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . 0.505 ' ND2' HD13 ' A' ' 84' ' ' LEU . 9.4 t-20 -97.95 -4.18 36.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.441 1.088 . . . . 71.13 109.29 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . 0.689 HG22 ' H ' ' A' ' 115' ' ' PHE . 4.8 m -105.31 -171.2 1.87 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.548 1.155 . . . . 73.22 110.41 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . 0.689 ' H ' HG22 ' A' ' 114' ' ' THR . 0.6 OUTLIER -139.57 97.21 3.22 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 74.33 111.032 179.962 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.982 0 O-C-N 124.502 1.126 . . . . 63.52 111.083 179.964 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 597' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.957 0 N-CA-C 110.966 -0.854 . . . . 75.34 110.966 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 598' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 136.63 20.61 Favored 'Trans proline' 0 C--N 1.361 1.229 0 O-C-N 124.481 1.779 . . . . 62.55 110.987 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 599' ' ' HIS . . . . . 0.455 ' NE2' ' CB ' ' B' ' 610' ' ' GLU . 39.5 p-80 -120.51 99.32 6.49 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.548 1.155 . . . . 61.33 109.581 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 600' ' ' MET . . . . . . . . . . . . . 2.3 ttt -73.32 130.46 40.23 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.539 1.149 . . . . 71.31 111.022 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 601' ' ' ILE . . . . . 0.921 HG21 ' O ' ' B' ' 608' ' ' LYS . 2.0 mp -81.29 119.95 31.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 O-C-N 124.509 1.13 . . . . 72.44 109.257 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 602' ' ' SER . . . . . . . . . . . . . 93.8 p -135.49 -178.66 5.22 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.515 1.134 . . . . 55.44 109.977 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 603' ' ' GLY . . . . . . . . . . . . . . . 107.28 145.25 12.02 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.497 1.123 . . . . 71.31 111.085 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 604' ' ' LEU . . . . . . . . . . . . . 2.7 tp -67.34 100.53 0.83 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 0.771 . . . . 63.33 109.31 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 605' ' ' SER . . . . . . . . . . . . . 2.9 p -176.24 154.39 1.36 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.612 1.195 . . . . 73.05 110.034 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 606' ' ' VAL . . . . . . . . . . . . . 7.4 p -41.16 158.28 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 74.11 109.318 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 607' ' ' ILE . . . . . . . . . . . . . 2.9 mt -60.6 135.94 24.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 O-C-N 124.463 1.102 . . . . 71.45 109.296 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 608' ' ' LYS . . . . . 0.921 ' O ' HG21 ' B' ' 601' ' ' ILE . 5.0 ptpp? -169.67 142.53 2.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 71.52 109.309 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 609' ' ' GLN . . . . . . . . . . . . . 28.4 mp0 -133.05 167.87 19.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.138 . . . . 75.51 110.259 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 610' ' ' GLU . . . . . 0.891 ' O ' HG13 ' B' ' 611' ' ' VAL . 39.8 mm-40 -88.76 -178.51 5.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 74.31 110.297 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 611' ' ' VAL . . . . . 0.891 HG13 ' O ' ' B' ' 610' ' ' GLU . 0.0 OUTLIER -171.75 134.09 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.43 1.081 . . . . 74.53 109.336 179.977 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 612' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -112.36 -39.04 4.51 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.496 1.122 . . . . 72.22 110.345 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 613' ' ' ARG . . . . . 0.64 ' NH2' ' CZ3' ' B' ' 621' ' ' TRP . 0.2 OUTLIER -147.81 -53.62 0.2 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.112 . . . . 71.31 110.303 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 614' ' ' LEU . . . . . 0.589 ' H ' HD12 ' B' ' 614' ' ' LEU . 0.2 OUTLIER -70.23 -164.45 0.08 Allowed 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.54 1.15 . . . . 75.01 109.31 179.945 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 615' ' ' GLY . . . . . 0.448 ' O ' ' N ' ' B' ' 618' ' ' VAL . . . 147.45 -104.1 0.28 Allowed Glycine 0 CA--C 1.529 0.924 0 O-C-N 124.53 1.144 . . . . 55.23 111.033 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 616' ' ' ASN . . . . . . . . . . . . . 58.9 t30 -43.88 133.38 4.92 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.431 0.724 . . . . 73.32 109.338 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 617' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 46.2 33.51 1.81 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.566 1.166 . . . . 64.21 109.263 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 618' ' ' VAL . . . . . 0.731 HG12 ' O ' ' B' ' 618' ' ' VAL . 66.5 t 39.66 47.41 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.53 1.144 . . . . 73.24 109.369 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 619' ' ' PHE . . . . . 0.566 ' CG ' ' O ' ' B' ' 618' ' ' VAL . 4.6 m-85 -171.74 144.52 1.83 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.506 1.129 . . . . 72.23 111.027 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 620' ' ' GLU . . . . . 0.444 ' OE2' ' N ' ' B' ' 621' ' ' TRP . 1.2 pp20? -134.98 -53.32 0.8 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.433 1.083 . . . . 53.42 110.337 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 621' ' ' TRP . . . . . 0.64 ' CZ3' ' NH2' ' B' ' 613' ' ' ARG . 3.1 p90 -75.55 170.5 16.02 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.48 1.112 . . . . 73.32 108.083 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 622' ' ' GLU . . . . . 0.625 ' O ' ' CD1' ' B' ' 621' ' ' TRP . 3.1 pt-20 -58.64 -173.79 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.132 . . . . 64.15 110.257 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 623' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 59.57 68.89 0.75 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 72.32 109.352 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 624' ' ' ASP . . . . . . . . . . . . . 20.3 t0 -76.57 -55.72 5.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.429 1.081 . . . . 63.21 109.291 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 625' ' ' GLU . . . . . 0.41 ' O ' ' C ' ' B' ' 626' ' ' SER . 0.4 OUTLIER -131.21 6.22 4.51 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.523 1.14 . . . . 75.1 110.279 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 626' ' ' SER . . . . . 0.41 ' C ' ' O ' ' B' ' 625' ' ' GLU . 10.1 t -38.24 153.48 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.445 1.091 . . . . 72.44 110.056 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 627' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -86.44 8.84 20.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.556 1.16 . . . . 61.45 109.238 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 628' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -61.42 -23.04 65.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.1 . . . . 70.04 110.274 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 629' ' ' ILE . . . . . 0.716 ' C ' HG11 ' A' ' 63' ' ' VAL . 0.8 OUTLIER -95.95 14.38 3.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 O-C-N 124.421 1.075 . . . . 61.41 109.301 179.957 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 630' ' ' ALA . . . . . 0.726 ' HA ' HG21 ' A' ' 63' ' ' VAL . . . . . . . . 0 C--N 1.323 -0.576 0 O-C-N 124.569 1.168 . . . . 73.25 109.348 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 0' ' ' HIS . . . . . . . . . . . . . 72.1 m-70 . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.591 -0.522 . . . . 72.51 109.591 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.5 ptp -136.08 -173.93 3.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 71.22 111.039 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.612 ' HZ1' ' N ' ' A' ' 37' ' ' GLU . 20.3 mtpt -135.14 -46.64 0.71 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.546 1.153 . . . . 64.1 109.303 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.485 ' CB ' ' CZ ' ' A' ' 47' ' ' ARG . 60.7 p -78.61 132.97 37.31 Favored 'General case' 0 C--N 1.327 -0.402 0 O-C-N 124.484 1.115 . . . . 61.21 110.009 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.474 ' OG1' ' N ' ' A' ' 5' ' ' PHE . 4.6 p -127.4 -58.35 1.26 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.634 1.209 . . . . 74.44 110.372 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.601 ' CZ ' ' OH ' ' A' ' 9' ' ' TYR . 40.1 t80 -56.23 -24.89 45.13 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.525 1.141 . . . . 75.11 111.016 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.551 ' CG ' ' NH2' ' A' ' 14' ' ' ARG . 0.2 OUTLIER -100.63 -24.42 14.44 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.472 1.108 . . . . 72.11 109.258 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 22.7 t -73.05 -3.23 24.97 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.525 1.141 . . . . 63.35 109.983 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.516 ' HB3' ' CD2' ' A' ' 9' ' ' TYR . 1.3 tp10 -86.49 -52.06 5.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 75.05 110.304 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.728 ' CZ ' HG12 ' B' ' 618' ' ' VAL . 2.8 p90 -124.88 166.68 18.93 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.546 1.154 . . . . 62.13 110.96 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -177.11 3.24 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.488 1.783 . . . . 44.44 110.983 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.528 ' CE2' ' HB3' ' A' ' 102' ' ' ASP . 20.2 t80 -62.42 -60.91 2.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 73.12 110.991 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -38.84 -31.4 0.06 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.565 1.166 . . . . 72.25 110.254 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.503 ' O ' ' HB3' ' A' ' 16' ' ' ALA . 15.9 mmtt -70.97 -54.6 10.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 72.31 109.319 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.577 ' HD2' ' CE1' ' A' ' 104' ' ' PHE . 4.0 tpp85 -55.42 -60.19 3.75 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.478 1.111 . . . . 72.4 110.247 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.41 ' CG ' ' N ' ' A' ' 16' ' ' ALA . 27.0 pttt -42.13 -46.52 4.36 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.431 1.082 . . . . 63.02 109.388 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.503 ' HB3' ' O ' ' A' ' 13' ' ' LYS . . . -50.94 -45.89 60.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.613 1.196 . . . . 52.13 109.343 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.589 ' HG2' HD12 ' A' ' 21' ' ' ILE . 62.9 tt0 -50.18 -33.74 20.25 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.47 1.106 . . . . 64.25 110.273 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -80.12 -23.93 40.86 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.507 1.129 . . . . 73.4 109.938 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.425 ' N ' ' O ' ' A' ' 16' ' ' ALA . 71.3 mt-10 -68.96 -28.28 66.49 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.522 1.139 . . . . 72.31 110.357 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.402 ' HG3' ' N ' ' A' ' 21' ' ' ILE . 5.2 ptp180 -100.73 -34.27 9.92 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.441 1.088 . . . . 74.03 110.249 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.589 HD12 ' HG2' ' A' ' 17' ' ' GLU . 8.1 mt -65.55 -20.88 28.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.487 1.117 . . . . 70.13 109.247 -179.921 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -83.12 -15.11 52.05 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.494 1.121 . . . . 53.32 109.273 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -105.87 -23.45 12.68 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.518 1.136 . . . . 74.04 109.29 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 11.2 mtm180 -91.85 -54.38 3.88 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.531 1.144 . . . . 72.2 110.273 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.427 ' HB3' ' CG ' ' A' ' 28' ' ' ARG . 3.1 m-85 -131.62 84.94 53.68 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 64.32 111.031 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.95 -27.8 9.81 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.496 1.788 . . . . 74.2 110.962 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 77.2 m-20 -92.06 37.42 0.98 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.451 1.094 . . . . 72.44 109.296 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.427 ' CG ' ' HB3' ' A' ' 25' ' ' PHE . 10.1 mmt-85 -119.14 174.09 6.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.107 . . . . 75.13 110.227 -179.894 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.713 HG23 ' CB ' ' A' ' 95' ' ' TYR . 13.0 mm -137.27 91.51 14.43 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.122 . . . . 73.21 109.252 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.708 ' HA ' HD22 ' A' ' 50' ' ' LEU . 18.1 Cg_endo -75.01 103.85 1.8 Allowed 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.556 1.819 . . . . 64.02 111.003 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.503 ' HA ' ' CB ' ' A' ' 105' ' ' LEU . 2.4 p -119.58 165.36 15.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.587 1.179 . . . . 75.34 109.265 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.56 ' CD1' ' NH2' ' A' ' 14' ' ' ARG . 5.8 mm -127.65 106.21 14.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.45 1.094 . . . . 65.24 109.389 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.573 ' HB3' ' CE1' ' A' ' 49' ' ' TYR . 1.4 t -81.52 124.98 29.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.103 . . . . 43.2 108.25 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.894 ' HB3' HG23 ' A' ' 108' ' ' THR . 73.3 tt0 -122.26 160.69 24.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.578 1.173 . . . . 74.13 110.242 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.566 ' HG2' ' CE2' ' A' ' 109' ' ' TYR . 0.3 OUTLIER -109.17 120.08 41.46 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.459 1.099 . . . . 74.11 109.331 -179.974 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.505 ' HB3' ' HB2' ' A' ' 39' ' ' SER . . . -49.87 169.07 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 61.54 109.268 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.612 ' N ' ' HZ1' ' A' ' 2' ' ' LYS . 17.7 pt-20 -94.47 -49.78 5.52 Favored 'General case' 0 C--N 1.326 -0.413 0 O-C-N 124.481 1.113 . . . . 72.1 110.244 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.438 ' N ' ' CG ' ' A' ' 37' ' ' GLU . 48.8 mttm -58.4 -22.39 53.82 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.527 1.142 . . . . 70.13 109.293 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.505 ' HB2' ' HB3' ' A' ' 36' ' ' ALA . 0.8 OUTLIER -57.21 162.73 2.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 61.22 110.015 -179.973 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 24.5 m-20 -123.55 1.11 8.88 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.129 . . . . 65.12 109.217 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.59 HD11 ' CE2' ' A' ' 109' ' ' TYR . 0.1 OUTLIER -74.65 166.41 45.44 Favored Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.407 1.067 . . . . 75.43 109.282 179.978 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.43 ' O ' HG21 ' A' ' 68' ' ' ILE . 18.0 Cg_endo -75.05 123.27 7.74 Favored 'Trans proline' 0 C--N 1.362 1.238 0 O-C-N 124.502 1.79 . . . . 64.4 111.0 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 17.9 tt0 -56.58 161.85 2.52 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.473 1.108 . . . . 74.43 110.319 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.505 ' CD1' ' OH ' ' A' ' 49' ' ' TYR . 15.4 tt -88.36 169.36 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.485 1.116 . . . . 73.53 109.256 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -71.42 -48.65 48.35 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.523 1.139 . . . . 74.13 109.355 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.479 ' CE ' ' HB3' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -150.9 167.76 26.56 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 72.31 109.285 -179.958 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.533 ' O ' HG23 ' A' ' 32' ' ' ILE . 11.9 mtm180 -108.39 94.63 5.17 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.461 1.101 . . . . 73.31 110.303 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.575 ' HB2' ' CD2' ' A' ' 5' ' ' PHE . 35.4 tptt -166.9 106.46 0.61 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.13 . . . . 65.41 109.285 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.688 ' CE2' ' CD1' ' A' ' 64' ' ' ILE . 23.0 m-85 -130.08 103.27 6.65 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.426 1.079 . . . . 72.34 110.973 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.708 HD22 ' HA ' ' A' ' 30' ' ' PRO . 0.6 OUTLIER -92.29 77.14 5.21 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.561 1.163 . . . . 74.33 109.279 -179.986 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.682 HG12 ' HB2' ' B' ' 630' ' ' ALA . 28.8 m -83.61 152.28 63.25 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.551 1.157 . . . . 63.4 109.328 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.476 ' HD3' ' CB ' ' B' ' 630' ' ' ALA . 18.2 Cg_endo -74.97 -179.34 4.88 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.553 1.817 . . . . 72.44 110.984 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -91.46 19.11 6.44 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.522 1.139 . . . . 72.45 109.251 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -117.54 -38.68 3.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.571 1.169 . . . . 72.41 109.305 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.587 HD12 ' N ' ' A' ' 56' ' ' THR . 0.0 OUTLIER -56.14 131.93 49.01 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.437 1.085 . . . . 73.35 109.32 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.587 ' N ' HD12 ' A' ' 55' ' ' LEU . 1.0 OUTLIER -94.11 -174.88 3.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.45 1.094 . . . . 33.54 110.359 -179.921 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 3.1 t -72.79 -62.8 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 60.44 109.355 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -55.0 -23.49 31.69 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.413 1.07 . . . . 73.23 111.041 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.503 ' CB ' ' CD1' ' A' ' 55' ' ' LEU . 9.6 mt-30 -89.12 -25.87 21.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 0.771 . . . . 74.53 110.27 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.595 ' CD1' HG11 ' A' ' 51' ' ' VAL . 40.7 t80 -70.83 -37.47 73.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 73.03 110.942 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.764 HG13 ' CG2' ' A' ' 76' ' ' ILE . 68.8 t -51.49 -46.01 35.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.124 . . . . 73.01 109.321 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.6 ' O ' ' CD1' ' A' ' 62' ' ' TYR . 0.1 OUTLIER -46.71 -27.13 1.08 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.134 . . . . 74.54 111.044 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.851 HG21 ' HA ' ' B' ' 630' ' ' ALA . 60.0 t -78.11 -38.12 23.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 65.32 109.274 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.688 ' CD1' ' CE2' ' A' ' 49' ' ' TYR . 3.9 mm -69.57 -38.91 77.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.45 1.094 . . . . 74.05 109.241 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.47 ' CD ' ' HB3' ' A' ' 70' ' ' LEU . 6.2 tpp85 -72.91 -3.47 25.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.567 1.167 . . . . 63.25 110.386 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 2.3 mttm -94.25 -42.16 9.08 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.115 . . . . 71.45 109.283 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.439 ' HA ' ' NE ' ' A' ' 67' ' ' ARG . 4.9 mmp_? -60.94 -38.59 86.38 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.418 1.074 . . . . 74.15 110.272 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.449 ' O ' ' N ' ' A' ' 70' ' ' LEU . 2.9 pt -104.23 4.06 10.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.387 1.054 . . . . 74.21 109.314 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 3.8 ptt? 37.32 31.4 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.439 1.087 . . . . 64.34 110.951 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.479 ' HA ' HD12 ' A' ' 70' ' ' LEU . 5.5 tp -49.27 140.3 12.89 Favored Pre-proline 0 C--N 1.323 -0.544 0 O-C-N 124.53 1.144 . . . . 62.43 109.209 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.431 ' HD3' ' HA ' ' A' ' 70' ' ' LEU . 18.2 Cg_endo -74.99 170.32 20.68 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.42 1.747 . . . . 75.31 110.952 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 -1.87 11.78 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.519 1.8 . . . . 73.31 110.968 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -89.27 3.31 52.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.589 1.181 . . . . 75.11 110.28 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 6.8 mttm -124.36 179.57 4.86 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.432 1.082 . . . . 74.24 109.306 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -137.9 163.67 30.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 54.01 109.288 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.787 HD11 ' CD2' ' A' ' 109' ' ' TYR . 2.2 tt -155.63 115.56 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.454 1.096 . . . . 71.13 109.308 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.553 ' CE1' ' HB2' ' A' ' 113' ' ' ASN . 71.1 m-85 -112.51 134.79 53.85 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.494 1.121 . . . . 70.23 111.028 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.73 ' O ' HD23 ' A' ' 84' ' ' LEU . 5.1 mm -84.6 129.22 38.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 70.04 109.288 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . 0.433 ' CE1' ' HG ' ' A' ' 84' ' ' LEU . 3.4 m-85 -123.66 119.13 28.94 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.501 1.126 . . . . 63.12 111.061 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.742 ' O ' HG22 ' A' ' 83' ' ' THR . 1.8 t -115.48 101.78 12.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.49 1.119 . . . . 75.21 109.306 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . 0.492 ' O ' ' CB ' ' A' ' 82' ' ' ASP . 2.1 m-80 72.25 23.45 3.29 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.145 . . . . 74.42 109.299 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . 0.492 ' CB ' ' O ' ' A' ' 81' ' ' ASN . 0.3 OUTLIER 82.24 20.37 0.29 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.447 1.092 . . . . 75.13 109.275 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.742 HG22 ' O ' ' A' ' 80' ' ' VAL . 1.2 t -120.52 141.39 50.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 74.25 110.466 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.73 HD23 ' O ' ' A' ' 78' ' ' ILE . 3.6 mt -104.63 106.04 52.93 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.573 1.171 . . . . 64.22 109.314 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 165.94 30.31 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.479 1.779 . . . . 73.14 110.996 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . 0.636 ' HG2' ' HB2' ' A' ' 89' ' ' ALA . 18.1 Cg_endo -75.01 -170.8 0.83 Allowed 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.548 1.815 . . . . 70.44 110.963 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 4.4 p -93.33 -34.58 13.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.535 1.147 . . . . 62.41 110.378 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -83.27 6.77 18.51 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 71.44 109.283 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 1.039 ' HB1' HD11 ' A' ' 94' ' ' ILE . . . -76.33 60.03 1.49 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.465 1.103 . . . . 73.43 109.29 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.594 ' C ' ' O ' ' A' ' 89' ' ' ALA . 0.4 OUTLIER -23.99 123.12 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.455 1.097 . . . . 71.21 109.335 179.957 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . 0.405 ' HG2' ' O ' ' A' ' 55' ' ' LEU . 47.2 mmm -48.57 -21.64 0.61 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.597 1.186 . . . . 71.21 111.018 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . 0.481 ' HA ' HD12 ' A' ' 29' ' ' ILE . 43.1 t -68.22 -49.33 61.44 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.39 1.057 . . . . 61.22 110.019 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -69.13 -22.26 63.97 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.482 1.114 . . . . 70.44 109.365 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 1.039 HD11 ' HB1' ' A' ' 89' ' ' ALA . 10.8 mm -79.7 -41.12 21.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 O-C-N 124.475 1.109 . . . . 61.53 109.333 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . 0.723 ' CD1' HD23 ' A' ' 105' ' ' LEU . 1.2 t80 -75.72 -4.81 42.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.456 1.098 . . . . 52.14 111.007 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . 0.437 ' O ' ' CG ' ' A' ' 96' ' ' GLN . 0.6 OUTLIER -104.15 -9.84 18.39 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.417 1.073 . . . . 73.33 110.24 -179.978 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -121.11 -4.77 9.52 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.595 1.184 . . . . 70.13 110.237 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . 0.673 ' CD2' HG11 ' A' ' 80' ' ' VAL . 11.2 m-70 -125.53 12.4 8.06 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.577 1.173 . . . . 62.03 109.667 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.523 ' HA ' HD22 ' A' ' 105' ' ' LEU . 0.0 OUTLIER -65.6 167.28 9.24 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.454 1.096 . . . . 60.42 109.317 -179.95 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -138.22 177.98 7.47 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 64.51 109.269 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.403 ' C ' ' N ' ' A' ' 103' ' ' GLY . 20.3 mmmt -51.39 -57.67 8.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.626 1.204 . . . . 74.24 109.312 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . 0.528 ' HB3' ' CE2' ' A' ' 11' ' ' PHE . 0.5 OUTLIER -44.77 -27.91 0.57 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 52.35 109.343 -179.993 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . 0.403 ' N ' ' C ' ' A' ' 101' ' ' LYS . . . 94.66 -9.4 71.18 Favored Glycine 0 CA--C 1.531 1.083 0 O-C-N 124.63 1.206 . . . . 42.14 110.975 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . 0.577 ' CE1' ' HD2' ' A' ' 14' ' ' ARG . 1.8 m-85 -90.78 165.66 13.53 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.481 0.753 . . . . 73.23 111.007 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.723 HD23 ' CD1' ' A' ' 95' ' ' TYR . 0.3 OUTLIER -100.2 160.91 13.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.584 1.178 . . . . 74.42 109.274 -179.983 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 62.1 m-85 -145.03 93.55 2.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.54 1.15 . . . . 64.4 110.944 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.604 ' CG2' ' CG2' ' A' ' 78' ' ' ILE . 8.5 p -102.71 173.55 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.561 1.163 . . . . 71.32 109.293 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . 0.894 HG23 ' HB3' ' A' ' 34' ' ' GLU . 0.2 OUTLIER -147.74 151.17 35.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 74.21 110.336 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' TYR . . . . . 0.787 ' CD2' HD11 ' A' ' 76' ' ' ILE . 41.1 p90 -136.22 131.79 35.01 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.409 1.068 . . . . 63.54 110.985 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 41.3 t -132.99 152.44 51.95 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.495 1.122 . . . . 73.5 109.956 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -79.09 4.03 63.64 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.475 1.109 . . . . 54.34 110.95 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -126.06 124.52 40.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.574 0.808 . . . . 65.25 110.298 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . 0.553 ' HB2' ' CE1' ' A' ' 77' ' ' PHE . 60.8 t-20 -89.65 49.96 1.82 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.111 . . . . 71.13 109.337 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . 0.66 HG22 ' H ' ' A' ' 115' ' ' PHE . 8.2 m -132.89 -178.09 4.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.145 . . . . 73.22 110.437 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . 0.66 ' H ' HG22 ' A' ' 114' ' ' THR . 3.2 p90 -118.94 99.2 6.59 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.587 1.179 . . . . 74.33 110.941 -179.907 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . 0.403 ' HA2' ' CD ' ' A' ' 38' ' ' LYS . . . . . . . . 0 CA--C 1.531 1.037 0 O-C-N 124.471 1.107 . . . . 63.52 111.02 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 597' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.018 0 N-CA-C 111.048 -0.821 . . . . 75.34 111.048 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 598' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.01 107.24 2.44 Favored 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.557 1.82 . . . . 62.55 111.017 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 599' ' ' HIS . . . . . . . . . . . . . 22.7 m-70 -149.31 148.92 30.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 61.33 109.587 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 600' ' ' MET . . . . . 0.638 ' O ' HD13 ' B' ' 601' ' ' ILE . 15.5 ttt -142.62 128.87 19.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 71.31 111.0 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 601' ' ' ILE . . . . . 0.638 HD13 ' O ' ' B' ' 600' ' ' MET . 7.2 mm -134.17 159.38 42.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 72.44 109.268 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 602' ' ' SER . . . . . 0.401 ' O ' ' C ' ' B' ' 603' ' ' GLY . 3.5 m -39.42 -76.06 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.4 1.062 . . . . 55.44 109.957 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 603' ' ' GLY . . . . . 0.439 ' O ' ' N ' ' B' ' 605' ' ' SER . . . 37.84 90.93 0.01 OUTLIER Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.542 1.151 . . . . 71.31 111.012 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 604' ' ' LEU . . . . . 0.752 ' O ' HD23 ' B' ' 604' ' ' LEU . 5.3 tt -40.48 98.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 0.779 . . . . 63.33 109.319 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 605' ' ' SER . . . . . 0.439 ' N ' ' O ' ' B' ' 603' ' ' GLY . 5.4 m -164.31 -175.51 3.97 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 73.05 109.963 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 606' ' ' VAL . . . . . 0.508 HG12 ' N ' ' B' ' 607' ' ' ILE . 61.5 t -53.6 165.86 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.456 1.097 . . . . 74.11 109.319 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 607' ' ' ILE . . . . . 0.526 HG22 ' N ' ' B' ' 608' ' ' LYS . 15.6 mm -56.32 167.08 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.573 1.171 . . . . 71.45 109.254 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 608' ' ' LYS . . . . . 0.53 ' HZ1' ' H ' ' B' ' 609' ' ' GLN . 0.0 OUTLIER -129.57 121.27 26.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 71.52 109.286 179.923 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 609' ' ' GLN . . . . . 0.53 ' H ' ' HZ1' ' B' ' 608' ' ' LYS . 3.7 mp0 -117.83 137.6 52.65 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 75.51 110.248 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 610' ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 -41.25 162.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 74.31 110.301 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 611' ' ' VAL . . . . . 0.743 HG23 ' O ' ' B' ' 614' ' ' LEU . 0.2 OUTLIER -159.12 145.16 7.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.515 1.135 . . . . 74.53 109.328 -179.96 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 612' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -104.9 -43.42 5.08 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.379 1.049 . . . . 72.22 110.248 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 613' ' ' ARG . . . . . 0.414 ' HG3' ' N ' ' B' ' 614' ' ' LEU . 8.3 ptp180 -146.76 -45.67 0.18 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.544 1.153 . . . . 71.31 110.233 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 614' ' ' LEU . . . . . 0.743 ' O ' HG23 ' B' ' 611' ' ' VAL . 2.3 pp -113.1 -170.85 1.76 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.502 1.126 . . . . 75.01 109.298 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 615' ' ' GLY . . . . . 0.462 ' O ' ' N ' ' B' ' 618' ' ' VAL . . . 140.59 -90.73 0.18 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.548 1.155 . . . . 55.23 110.947 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 616' ' ' ASN . . . . . 0.443 ' N ' ' OE1' ' B' ' 620' ' ' GLU . 9.8 t30 -41.75 144.14 0.44 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.394 0.702 . . . . 73.32 109.317 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 617' ' ' ASP . . . . . 0.45 ' C ' ' CG2' ' B' ' 618' ' ' VAL . 72.4 m-20 48.35 24.2 0.68 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 64.21 109.285 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 618' ' ' VAL . . . . . 0.728 HG12 ' CZ ' ' A' ' 9' ' ' TYR . 0.0 OUTLIER 40.81 29.08 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 73.24 109.286 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 619' ' ' PHE . . . . . 0.604 ' CE2' ' O ' ' B' ' 624' ' ' ASP . 2.9 m-85 -174.6 92.31 0.07 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.538 1.149 . . . . 72.23 111.004 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 620' ' ' GLU . . . . . 0.475 ' CG ' ' HA ' ' B' ' 614' ' ' LEU . 12.9 mt-10 -101.11 2.51 40.35 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.493 1.121 . . . . 53.42 110.324 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 621' ' ' TRP . . . . . 0.577 ' CD1' ' O ' ' B' ' 622' ' ' GLU . 8.3 p90 -118.13 -169.29 1.67 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.546 1.154 . . . . 73.32 107.947 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 622' ' ' GLU . . . . . 0.577 ' O ' ' CD1' ' B' ' 621' ' ' TRP . 4.5 pt-20 -78.49 -174.55 3.87 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.545 1.153 . . . . 64.15 110.288 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 623' ' ' ASP . . . . . 0.474 ' OD1' ' CB ' ' B' ' 626' ' ' SER . 18.6 m-20 45.11 77.05 0.08 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.569 1.168 . . . . 72.32 109.298 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 624' ' ' ASP . . . . . 0.604 ' O ' ' CE2' ' B' ' 619' ' ' PHE . 0.9 OUTLIER -77.56 -47.44 19.46 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.444 1.09 . . . . 63.21 109.369 179.957 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 625' ' ' GLU . . . . . 0.451 ' N ' ' CG ' ' B' ' 624' ' ' ASP . 0.2 OUTLIER -129.62 6.85 5.21 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.621 1.2 . . . . 75.1 110.265 179.95 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 626' ' ' SER . . . . . 0.474 ' CB ' ' OD1' ' B' ' 623' ' ' ASP . 2.5 t -39.11 152.85 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 72.44 110.011 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 627' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -76.01 -1.93 28.15 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.465 1.103 . . . . 61.45 109.267 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 628' ' ' GLU . . . . . 0.553 ' O ' HG13 ' A' ' 63' ' ' VAL . 14.4 pt-20 -52.38 -29.0 21.91 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.398 1.061 . . . . 70.04 110.285 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 629' ' ' ILE . . . . . 0.652 ' C ' HG11 ' A' ' 63' ' ' VAL . 0.9 OUTLIER -97.85 29.92 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.458 1.099 . . . . 61.41 109.299 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 630' ' ' ALA . . . . . 0.851 ' HA ' HG21 ' A' ' 63' ' ' VAL . . . . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 73.25 109.257 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 0' ' ' HIS . . . . . . . . . . . . . 36.2 m80 . . . . . 0 N--CA 1.454 -0.249 0 N-CA-C 109.631 -0.507 . . . . 72.51 109.631 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.3 mtm -92.7 -168.77 2.03 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.52 1.138 . . . . 71.22 110.977 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 55.3 mttt -137.65 -73.64 0.41 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.49 1.119 . . . . 64.1 109.334 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 27.7 m -52.99 172.21 0.05 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.549 1.155 . . . . 61.21 109.967 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.436 ' OG1' ' CB ' ' A' ' 46' ' ' LYS . 40.7 p -146.76 -76.58 0.19 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.432 1.083 . . . . 74.44 110.408 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.604 ' CZ ' ' OH ' ' A' ' 9' ' ' TYR . 32.1 t80 -57.49 -18.49 19.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.635 1.21 . . . . 75.11 111.024 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.448 ' HG3' ' CZ ' ' A' ' 14' ' ' ARG . 0.0 OUTLIER -101.11 -50.62 3.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.563 1.164 . . . . 72.11 109.342 179.923 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 7.0 t -65.09 -10.91 34.28 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.594 1.184 . . . . 63.35 109.943 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.475 ' OE2' HD12 ' B' ' 614' ' ' LEU . 3.5 tp10 -64.74 -62.39 1.6 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.644 1.215 . . . . 75.05 110.227 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.698 ' CZ ' HG13 ' B' ' 618' ' ' VAL . 1.8 p90 -117.52 167.45 11.02 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.116 . . . . 62.13 111.121 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.407 ' HD2' ' HB2' ' A' ' 9' ' ' TYR . 18.4 Cg_endo -75.0 -176.59 2.96 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.526 1.803 . . . . 44.44 111.014 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.464 ' O ' ' N ' ' A' ' 14' ' ' ARG . 15.7 t80 -62.76 -58.21 8.25 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.54 1.15 . . . . 73.12 110.967 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 -40.4 -30.47 0.11 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.476 1.11 . . . . 72.25 110.224 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.51 ' CB ' ' HB2' ' A' ' 9' ' ' TYR . 0.2 OUTLIER -73.04 -50.43 23.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 72.31 109.348 -179.982 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.65 ' NH2' ' CE1' ' A' ' 106' ' ' TYR . 3.2 mmm180 -56.51 -60.44 3.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.104 . . . . 72.4 110.277 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 26.7 pttt -42.82 -42.32 3.57 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.523 1.139 . . . . 63.02 109.276 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.444 ' HB3' ' O ' ' A' ' 13' ' ' LYS . . . -60.59 -46.63 89.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 52.13 109.259 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.539 ' OE2' ' CD1' ' B' ' 619' ' ' PHE . 27.7 tp10 -62.05 -37.48 85.13 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.613 1.195 . . . . 64.25 110.275 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.3 p -75.92 -27.95 57.82 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.481 1.113 . . . . 73.4 109.99 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -60.98 -26.82 67.84 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.44 1.087 . . . . 72.31 110.249 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.455 ' O ' ' N ' ' A' ' 24' ' ' ARG . 1.1 mtm180 -98.04 -44.42 6.65 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.538 1.149 . . . . 74.03 110.309 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.433 HD12 ' CZ ' ' A' ' 104' ' ' PHE . 7.3 mt -54.76 -26.7 17.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.519 1.137 . . . . 70.13 109.319 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -83.6 -23.73 31.79 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.566 1.167 . . . . 53.32 109.348 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -97.23 -6.29 34.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.147 . . . . 74.04 109.323 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.455 ' N ' ' O ' ' A' ' 20' ' ' ARG . 38.3 mtm180 -107.83 -51.56 2.89 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.598 1.186 . . . . 72.2 110.271 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.488 ' CD2' HD21 ' A' ' 50' ' ' LEU . 1.1 m-85 -120.71 80.77 32.39 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.552 1.157 . . . . 64.32 110.989 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 -25.85 11.45 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.508 1.794 . . . . 74.2 110.945 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 21.9 m-20 -93.23 27.99 2.34 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.536 1.147 . . . . 72.44 109.366 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.467 ' CG ' ' HB3' ' A' ' 25' ' ' PHE . 1.0 OUTLIER -123.9 -179.97 4.6 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.481 1.113 . . . . 75.13 110.295 179.97 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.481 HG23 ' CB ' ' A' ' 95' ' ' TYR . 24.8 mm -142.09 99.47 6.02 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.471 1.107 . . . . 73.21 109.255 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.569 ' HD2' ' CE2' ' A' ' 95' ' ' TYR . 18.3 Cg_endo -74.97 123.91 8.25 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.541 1.811 . . . . 64.02 111.029 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.52 ' O ' HD13 ' A' ' 32' ' ' ILE . 1.0 OUTLIER -138.85 173.24 12.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.594 1.184 . . . . 75.34 109.286 179.974 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.729 HG22 ' HB3' ' A' ' 47' ' ' ARG . 4.6 mm -138.46 109.92 5.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.595 1.185 . . . . 65.24 109.336 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.543 ' HA ' HG13 ' A' ' 107' ' ' VAL . 0.5 OUTLIER -83.7 148.55 27.02 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.139 . . . . 43.2 108.322 -179.955 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.931 ' HB3' HG23 ' A' ' 108' ' ' THR . 5.1 tm-20 -146.3 171.47 14.93 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.506 1.129 . . . . 74.13 110.287 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.718 ' HZ2' ' HA ' ' A' ' 43' ' ' GLU . 0.0 OUTLIER -116.75 125.84 52.25 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.52 1.137 . . . . 74.11 109.39 -179.976 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.538 ' HB3' ' HB2' ' A' ' 110' ' ' SER . . . -57.77 177.77 0.1 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.537 1.148 . . . . 61.54 109.242 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.445 ' CG ' ' N ' ' A' ' 38' ' ' LYS . 11.6 pt-20 -96.11 -51.23 4.51 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.484 1.115 . . . . 72.1 110.257 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.445 ' N ' ' CG ' ' A' ' 37' ' ' GLU . 0.3 OUTLIER -54.09 -45.04 71.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.445 1.091 . . . . 70.13 109.375 179.971 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 3.9 t -41.24 157.05 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 61.22 109.988 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -117.22 -4.93 11.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.128 . . . . 65.12 109.304 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.465 ' CG2' ' HA3' ' A' ' 111' ' ' GLY . 0.2 OUTLIER -62.97 163.16 17.48 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.596 1.185 . . . . 75.43 109.279 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 129.12 12.04 Favored 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.562 1.822 . . . . 64.4 110.94 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.718 ' HA ' ' HZ2' ' A' ' 35' ' ' LYS . 6.0 tt0 -53.85 163.0 0.79 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.508 1.13 . . . . 74.43 110.283 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.491 ' CD1' ' OH ' ' A' ' 49' ' ' TYR . 12.3 tt -93.22 167.31 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 73.53 109.27 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.443 ' N ' ' CG1' ' A' ' 44' ' ' ILE . 6.7 p-10 -60.75 -55.82 28.62 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.553 1.158 . . . . 74.13 109.217 -179.883 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.436 ' CB ' ' OG1' ' A' ' 4' ' ' THR . 0.1 OUTLIER -155.44 179.61 9.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 72.31 109.275 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.729 ' HB3' HG22 ' A' ' 32' ' ' ILE . 6.2 mtp180 -108.13 94.65 5.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.455 1.097 . . . . 73.31 110.339 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.897 ' HZ2' ' C ' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -166.11 110.04 0.8 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.563 1.164 . . . . 65.41 109.261 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.549 ' CE2' ' CD1' ' A' ' 64' ' ' ILE . 27.3 m-85 -140.35 118.24 11.79 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.427 1.079 . . . . 72.34 111.05 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.488 HD21 ' CD2' ' A' ' 25' ' ' PHE . 1.0 OUTLIER -104.41 77.14 1.36 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.424 1.078 . . . . 74.33 109.34 179.972 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.546 HG12 ' HA ' ' B' ' 630' ' ' ALA . 27.8 m -77.7 148.76 76.81 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.147 . . . . 63.4 109.356 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -178.32 4.07 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.397 1.735 . . . . 72.44 111.06 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -93.36 18.2 10.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 72.45 109.194 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -118.96 -38.48 3.06 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.567 1.167 . . . . 72.41 109.302 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 1.002 HD23 ' HB1' ' B' ' 630' ' ' ALA . 0.0 OUTLIER -58.16 131.96 52.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 73.35 109.338 179.958 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.536 ' N ' HD12 ' A' ' 55' ' ' LEU . 1.2 p -92.95 -170.35 2.41 Favored 'General case' 0 C--N 1.323 -0.576 0 O-C-N 124.545 1.153 . . . . 33.54 110.45 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 2.7 t -76.84 -62.49 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.134 . . . . 60.44 109.268 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -57.19 -24.12 49.99 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.471 1.107 . . . . 73.23 110.925 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.533 ' CB ' ' CD1' ' A' ' 55' ' ' LEU . 29.1 mt-30 -83.58 -27.39 29.27 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.546 0.792 . . . . 74.53 110.266 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.896 ' CE1' HD11 ' A' ' 64' ' ' ILE . 1.4 t80 -69.81 -46.32 65.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.454 1.096 . . . . 73.03 110.997 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.809 HG13 ' CG2' ' A' ' 76' ' ' ILE . 52.1 t -39.96 -48.41 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.529 1.143 . . . . 73.01 109.377 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.596 ' C ' ' CD1' ' A' ' 62' ' ' TYR . 0.0 OUTLIER -44.13 -45.41 8.2 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.449 1.093 . . . . 74.54 110.967 179.948 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.883 HG21 ' C ' ' B' ' 630' ' ' ALA . 86.4 t -63.65 -37.82 80.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.41 1.069 . . . . 65.32 109.266 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.896 HD11 ' CE1' ' A' ' 60' ' ' PHE . 19.0 mm -70.59 -30.42 42.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 74.05 109.359 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.446 ' CD ' ' HB3' ' A' ' 70' ' ' LEU . 4.1 tpp85 -79.33 -3.17 44.92 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 63.25 110.257 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 7.9 mtmt -96.16 -41.73 8.56 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 71.45 109.313 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -59.61 -39.61 84.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.591 1.182 . . . . 74.15 110.252 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 2.2 pt -104.81 5.22 10.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 74.21 109.296 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 2.6 ptt? 37.55 38.36 0.14 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.547 1.154 . . . . 64.34 110.969 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.481 HD12 ' HA ' ' A' ' 70' ' ' LEU . 6.2 tp -50.63 139.98 19.95 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.472 1.107 . . . . 62.43 109.294 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 70' ' ' LEU . 18.2 Cg_endo -75.02 165.99 30.13 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.548 1.815 . . . . 75.31 110.922 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 0.78 8.51 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.491 1.785 . . . . 73.31 110.944 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -98.1 -1.78 41.57 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.581 1.176 . . . . 75.11 110.264 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -112.23 178.91 4.15 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 74.24 109.26 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -138.03 152.51 48.92 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.612 1.195 . . . . 54.01 109.276 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.901 HD11 ' CD1' ' A' ' 109' ' ' TYR . 1.2 tt -145.78 117.18 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.437 1.086 . . . . 71.13 109.407 179.899 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 80.2 m-85 -114.21 137.68 51.46 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.55 1.156 . . . . 70.23 111.03 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.591 ' CG2' ' CG2' ' A' ' 107' ' ' VAL . 3.9 mm -85.92 158.19 3.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 O-C-N 124.482 1.113 . . . . 70.04 109.286 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . 0.471 ' CE1' ' CD1' ' A' ' 115' ' ' PHE . 8.6 m-85 -150.58 133.51 15.99 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.453 1.095 . . . . 63.12 111.0 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.708 ' O ' HG22 ' A' ' 83' ' ' THR . 2.4 t -136.31 108.64 7.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.459 1.099 . . . . 75.21 109.298 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . 0.443 ' O ' ' CB ' ' A' ' 82' ' ' ASP . 3.5 m-80 72.35 22.31 3.52 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.499 1.124 . . . . 74.42 109.248 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . 0.443 ' CB ' ' O ' ' A' ' 81' ' ' ASN . 2.1 m-20 79.05 20.88 0.7 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 75.13 109.266 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.708 HG22 ' O ' ' A' ' 80' ' ' VAL . 1.1 t -126.43 142.03 51.68 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.5 1.125 . . . . 74.25 110.447 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.441 ' CD1' ' CZ ' ' A' ' 79' ' ' PHE . 0.2 OUTLIER -98.6 109.64 53.81 Favored Pre-proline 0 C--N 1.324 -0.541 0 O-C-N 124.541 1.151 . . . . 64.22 109.286 -179.94 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.06 167.04 27.86 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.445 1.761 . . . . 73.14 110.987 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . 0.825 ' HG2' ' HB2' ' A' ' 89' ' ' ALA . 18.6 Cg_endo -74.94 -171.7 1.05 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.481 1.78 . . . . 70.44 111.039 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 4.2 p -94.27 -35.39 12.46 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.551 1.157 . . . . 62.41 110.419 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -84.61 8.22 17.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.421 1.076 . . . . 71.44 109.324 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 1.054 ' HB1' HD11 ' A' ' 94' ' ' ILE . . . -76.13 60.92 1.51 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.545 1.153 . . . . 73.43 109.329 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.608 ' C ' ' O ' ' A' ' 89' ' ' ALA . 0.4 OUTLIER -23.51 121.79 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.106 . . . . 71.21 109.228 -179.917 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . 0.402 ' HG2' ' O ' ' A' ' 55' ' ' LEU . 47.3 mmm -50.81 -20.49 1.3 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.418 1.074 . . . . 71.21 110.987 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 2.1 t -70.09 -47.17 62.97 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 61.22 110.008 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -74.88 -13.68 60.58 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 70.44 109.289 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 1.054 HD11 ' HB1' ' A' ' 89' ' ' ALA . 22.0 mm -82.55 -44.74 19.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.554 1.159 . . . . 61.53 109.208 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . 0.83 ' CD2' HD23 ' A' ' 105' ' ' LEU . 4.5 t80 -72.98 -5.64 40.06 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.457 1.098 . . . . 52.14 110.931 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . 0.438 ' O ' ' CG ' ' A' ' 96' ' ' GLN . 3.0 tp-100 -100.21 -10.37 21.46 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.481 1.113 . . . . 73.33 110.27 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -118.55 -10.92 9.99 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.454 1.097 . . . . 70.13 110.331 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . 0.571 ' HB2' HD11 ' A' ' 105' ' ' LEU . 31.5 m-70 -123.1 16.34 9.94 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.485 1.116 . . . . 62.03 109.601 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.471 ' HB3' ' O ' ' A' ' 95' ' ' TYR . 0.0 OUTLIER -59.99 157.74 12.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.12 . . . . 60.42 109.346 179.974 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -128.87 170.88 12.85 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.55 1.156 . . . . 64.51 109.339 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.425 ' HB2' ' CE2' ' A' ' 11' ' ' PHE . 30.0 mtmm -57.31 -29.42 63.91 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.118 . . . . 74.24 109.311 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -82.71 -20.47 36.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 52.35 109.242 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . 0.404 ' O ' ' CE2' ' A' ' 95' ' ' TYR . . . 91.63 -39.32 3.06 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.568 1.167 . . . . 42.14 111.023 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . 0.601 ' CD1' HD11 ' A' ' 32' ' ' ILE . 10.5 m-85 -61.64 120.14 10.03 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.472 0.748 . . . . 73.23 110.992 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.83 HD23 ' CD2' ' A' ' 95' ' ' TYR . 0.3 OUTLIER -63.32 159.66 17.56 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.532 1.145 . . . . 74.42 109.339 -179.963 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . 0.65 ' CE1' ' NH2' ' A' ' 14' ' ' ARG . 50.4 m-85 -133.17 101.66 5.28 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.506 1.129 . . . . 64.4 111.049 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.591 ' CG2' ' CG2' ' A' ' 78' ' ' ILE . 14.7 p -115.07 168.53 6.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.461 1.1 . . . . 71.32 109.364 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . 0.931 HG23 ' HB3' ' A' ' 34' ' ' GLU . 0.7 OUTLIER -149.8 145.79 26.8 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.511 1.132 . . . . 74.21 110.409 179.922 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' TYR . . . . . 0.901 ' CD1' HD11 ' A' ' 76' ' ' ILE . 30.2 p90 -129.3 126.05 38.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.567 1.167 . . . . 63.54 111.006 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . 0.538 ' HB2' ' HB3' ' A' ' 36' ' ' ALA . 1.4 t -119.33 158.83 25.32 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.484 1.115 . . . . 73.5 109.989 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . 0.465 ' HA3' ' CG2' ' A' ' 41' ' ' ILE . . . -68.1 -24.19 74.61 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.515 1.134 . . . . 54.34 110.94 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -115.07 178.8 4.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 0.783 . . . . 65.25 110.275 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 49.0 t-20 -104.72 41.6 1.31 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.103 . . . . 71.13 109.297 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -118.19 158.72 24.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 73.22 110.336 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . 0.63 ' CD1' ' N ' ' A' ' 115' ' ' PHE . 0.1 OUTLIER -139.24 68.36 1.38 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 74.33 110.969 179.945 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.043 0 O-C-N 124.468 1.105 . . . . 63.52 111.036 179.927 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 597' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.913 0 N-CA-C 111.009 -0.836 . . . . 75.34 111.009 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 598' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.92 144.99 31.23 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.497 1.788 . . . . 62.55 111.006 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 599' ' ' HIS . . . . . 0.456 ' ND1' HG23 ' B' ' 611' ' ' VAL . 5.5 m80 -153.45 172.85 16.47 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.596 1.185 . . . . 61.33 109.561 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 600' ' ' MET . . . . . 0.435 ' N ' ' SD ' ' B' ' 600' ' ' MET . 1.0 OUTLIER -105.95 158.69 16.6 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.545 1.153 . . . . 71.31 110.97 179.959 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 601' ' ' ILE . . . . . 0.703 ' H ' HD12 ' B' ' 601' ' ' ILE . 0.3 OUTLIER -109.19 76.9 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 72.44 109.276 179.971 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 602' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -97.14 124.39 41.16 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.555 1.159 . . . . 55.44 109.986 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 603' ' ' GLY . . . . . . . . . . . . . . . 77.83 139.77 1.36 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.48 1.113 . . . . 71.31 111.053 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 604' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -113.27 -36.66 4.95 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.506 0.768 . . . . 63.33 109.3 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 605' ' ' SER . . . . . . . . . . . . . 3.6 t -87.99 -2.98 58.94 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.486 1.116 . . . . 73.05 109.941 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 606' ' ' VAL . . . . . 0.723 HG22 ' H ' ' B' ' 607' ' ' ILE . 2.1 p -95.57 -171.97 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.103 . . . . 74.11 109.263 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 607' ' ' ILE . . . . . 0.723 ' H ' HG22 ' B' ' 606' ' ' VAL . 1.1 mm -114.67 -162.75 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.485 1.116 . . . . 71.45 109.335 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 608' ' ' LYS . . . . . 0.679 ' H ' HG22 ' B' ' 607' ' ' ILE . 0.2 OUTLIER 59.75 26.74 15.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 71.52 109.306 179.966 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 609' ' ' GLN . . . . . . . . . . . . . 71.6 mm-40 -40.11 160.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.097 . . . . 75.51 110.214 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 610' ' ' GLU . . . . . 0.534 ' O ' HG13 ' B' ' 611' ' ' VAL . 3.8 pt-20 -49.73 179.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 74.31 110.288 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 611' ' ' VAL . . . . . 0.534 HG13 ' O ' ' B' ' 610' ' ' GLU . 1.0 OUTLIER -155.44 120.58 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 74.53 109.323 -179.973 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 612' ' ' GLU . . . . . 0.405 ' HG2' ' N ' ' B' ' 613' ' ' ARG . 0.0 OUTLIER -117.37 -36.07 3.84 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.568 1.168 . . . . 72.22 110.331 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 613' ' ' ARG . . . . . 0.589 ' CD ' ' CZ3' ' B' ' 621' ' ' TRP . 5.9 ptp180 -148.4 -46.04 0.15 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 71.31 110.284 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 614' ' ' LEU . . . . . 0.685 HD23 ' CZ3' ' B' ' 621' ' ' TRP . 0.8 OUTLIER -106.22 143.68 34.0 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.494 1.121 . . . . 75.01 109.304 -179.952 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 615' ' ' GLY . . . . . 0.414 ' O ' ' C ' ' B' ' 616' ' ' ASN . . . -147.46 -60.92 0.01 OUTLIER Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.556 1.16 . . . . 55.23 110.953 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 616' ' ' ASN . . . . . 0.414 ' C ' ' O ' ' B' ' 615' ' ' GLY . 0.1 OUTLIER -38.58 -33.72 0.11 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 0.757 . . . . 73.32 109.271 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 617' ' ' ASP . . . . . 0.406 ' N ' ' C ' ' B' ' 615' ' ' GLY . 4.6 m-20 -165.89 -172.76 2.44 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.542 1.151 . . . . 64.21 109.313 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 618' ' ' VAL . . . . . 0.698 HG13 ' CZ ' ' A' ' 9' ' ' TYR . 1.8 t -74.9 -19.39 16.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.452 1.095 . . . . 73.24 109.36 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 619' ' ' PHE . . . . . 0.539 ' CD1' ' OE2' ' A' ' 17' ' ' GLU . 2.8 m-85 -134.38 134.05 41.27 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 72.23 111.044 179.881 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 620' ' ' GLU . . . . . 0.421 ' OE2' ' N ' ' B' ' 621' ' ' TRP . 0.5 OUTLIER -151.87 -58.25 0.15 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.434 1.084 . . . . 53.42 110.329 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 621' ' ' TRP . . . . . 0.685 ' CZ3' HD23 ' B' ' 614' ' ' LEU . 0.8 OUTLIER -64.52 162.26 15.74 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 107.96 -1.126 . . . . 73.32 107.96 179.989 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 622' ' ' GLU . . . . . 0.68 ' O ' ' CD1' ' B' ' 621' ' ' TRP . 2.0 pt-20 -52.46 -171.63 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.134 . . . . 64.15 110.248 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 623' ' ' ASP . . . . . 0.494 ' OD2' ' CG1' ' B' ' 629' ' ' ILE . 4.7 t0 78.18 1.71 2.75 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.456 1.097 . . . . 72.32 109.294 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 624' ' ' ASP . . . . . 0.402 ' C ' ' O ' ' B' ' 623' ' ' ASP . 7.7 t0 -40.38 -65.97 0.36 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.455 1.097 . . . . 63.21 109.258 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 625' ' ' GLU . . . . . 0.413 ' O ' ' C ' ' B' ' 626' ' ' SER . 1.5 pp20? -117.88 -9.72 10.58 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.5 1.125 . . . . 75.1 110.3 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 626' ' ' SER . . . . . 0.423 ' O ' HD11 ' B' ' 629' ' ' ILE . 5.0 t -37.96 134.01 0.81 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.403 1.064 . . . . 72.44 109.97 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 627' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -80.72 0.66 33.55 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.451 1.095 . . . . 61.45 109.31 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 628' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -65.36 -11.58 43.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.142 . . . . 70.04 110.31 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 629' ' ' ILE . . . . . 0.494 ' CG1' ' OD2' ' B' ' 623' ' ' ASP . 1.2 pp -104.0 25.92 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 61.41 109.269 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 630' ' ' ALA . . . . . 1.002 ' HB1' HD23 ' A' ' 55' ' ' LEU . . . . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 73.25 109.294 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 0' ' ' HIS . . . . . . . . . . . . . 75.9 m80 . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 109.625 -0.509 . . . . 72.51 109.625 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.493 ' HE2' ' CD2' ' B' ' 599' ' ' HIS . 8.3 mtp -122.27 -161.0 0.91 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 71.22 111.035 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.428 ' O ' HG23 ' A' ' 4' ' ' THR . 5.3 mtmp? -138.71 -47.32 0.5 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 64.1 109.311 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.43 ' HB3' ' NH1' ' A' ' 47' ' ' ARG . 12.3 p -60.96 121.77 13.24 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.509 1.13 . . . . 61.21 109.945 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.5 ' OG1' ' N ' ' A' ' 5' ' ' PHE . 31.4 p -109.21 -71.14 0.77 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.552 1.157 . . . . 74.44 110.384 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.654 ' CE2' ' CB ' ' A' ' 48' ' ' LYS . 12.4 m-85 -50.94 -45.81 60.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 75.11 111.034 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.512 ' HZ2' HG23 ' B' ' 601' ' ' ILE . 8.6 tttt -69.17 -31.57 70.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.109 . . . . 72.11 109.248 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 40.4 t -81.82 -4.96 57.73 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.534 1.146 . . . . 63.35 110.031 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.419 ' O ' ' CB ' ' B' ' 609' ' ' GLN . 2.5 mm-40 -86.9 -52.59 5.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 75.05 110.329 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.589 ' OH ' HG12 ' B' ' 618' ' ' VAL . 4.5 p90 -126.2 165.12 29.57 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 62.13 111.015 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 -176.92 3.12 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.531 1.806 . . . . 44.44 111.027 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.54 ' CE1' ' HB3' ' A' ' 102' ' ' ASP . 35.9 t80 -63.76 -57.17 10.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.409 1.068 . . . . 73.12 111.051 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 17.0 mt-10 -42.51 -28.13 0.2 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.534 1.146 . . . . 72.25 110.297 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.485 ' CB ' ' HB2' ' A' ' 9' ' ' TYR . 8.9 mmtt -73.2 -49.09 29.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.616 1.197 . . . . 72.31 109.244 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.566 ' HG3' ' CD2' ' A' ' 104' ' ' PHE . 16.7 tpp180 -57.11 -42.19 80.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.437 1.085 . . . . 72.4 110.345 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.409 ' HG2' ' N ' ' A' ' 16' ' ' ALA . 0.1 OUTLIER -71.33 -43.47 66.94 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 63.02 109.32 179.971 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.409 ' N ' ' HG2' ' A' ' 15' ' ' LYS . . . -60.41 -31.78 70.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 52.13 109.327 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.48 ' HG3' HD12 ' A' ' 21' ' ' ILE . 18.0 tp10 -70.41 -44.3 68.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.431 1.082 . . . . 64.25 110.327 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.443 ' HB3' ' CD2' ' A' ' 104' ' ' PHE . 89.5 p -70.47 -19.5 62.94 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 73.4 110.094 179.91 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -66.3 -23.41 66.37 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.56 1.163 . . . . 72.31 110.312 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 28.8 mtm180 -101.76 -39.11 7.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.588 1.18 . . . . 74.03 110.267 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.48 HD12 ' HG3' ' A' ' 17' ' ' GLU . 7.2 mt -60.25 -20.56 20.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.64 1.213 . . . . 70.13 109.341 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -80.47 -21.65 41.84 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 53.32 109.284 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -103.49 -12.9 16.84 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 74.04 109.372 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 27.5 mmm-85 -97.08 -48.96 5.18 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.104 . . . . 72.2 110.268 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.471 ' HB3' ' CG ' ' A' ' 28' ' ' ARG . 1.3 m-85 -132.84 89.5 34.62 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.429 1.081 . . . . 64.32 110.951 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.98 -34.21 4.02 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.488 1.783 . . . . 74.2 111.009 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 12.2 p30 -90.9 40.2 1.01 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.469 1.106 . . . . 72.44 109.305 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.595 ' HB3' HD11 ' A' ' 50' ' ' LEU . 1.6 mmt-85 -126.14 171.37 10.92 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.464 1.103 . . . . 75.13 110.271 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.486 ' CD1' ' HA ' ' A' ' 92' ' ' SER . 17.4 mm -135.99 98.03 11.99 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 73.21 109.285 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.998 ' HA ' HD22 ' A' ' 50' ' ' LEU . 18.2 Cg_endo -75.0 117.21 4.83 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.488 1.783 . . . . 64.02 110.986 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.785 HG22 ' O ' ' A' ' 49' ' ' TYR . 5.7 m -135.61 156.54 38.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 75.34 109.296 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.732 HG23 ' O ' ' A' ' 47' ' ' ARG . 18.4 mm -124.73 104.91 14.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.558 1.161 . . . . 65.24 109.292 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.519 ' HB3' ' CE1' ' A' ' 49' ' ' TYR . 2.1 t -84.82 144.32 28.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.419 1.074 . . . . 43.2 108.311 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.515 ' O ' HG22 ' A' ' 108' ' ' THR . 32.2 tt0 -148.6 156.75 42.83 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.452 1.095 . . . . 74.13 110.342 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.503 ' HG2' ' CE2' ' A' ' 109' ' ' TYR . 0.0 OUTLIER -92.66 127.39 38.14 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.456 1.098 . . . . 74.11 109.331 -179.978 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -59.06 177.99 0.14 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.115 . . . . 61.54 109.343 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.443 ' CG ' ' N ' ' A' ' 38' ' ' LYS . 12.1 pt-20 -96.5 -50.8 4.59 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.486 1.116 . . . . 72.1 110.348 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.443 ' N ' ' CG ' ' A' ' 37' ' ' GLU . 30.8 mttm -55.05 -43.88 74.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.576 1.172 . . . . 70.13 109.371 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.4 t -39.84 158.0 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.457 1.098 . . . . 61.22 110.025 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -114.76 -1.48 13.23 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.462 1.102 . . . . 65.12 109.366 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.599 HD11 ' CE2' ' A' ' 109' ' ' TYR . 0.1 OUTLIER -74.55 165.71 51.34 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.408 1.067 . . . . 75.43 109.288 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.1 130.25 13.0 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.424 1.75 . . . . 64.4 110.985 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.404 ' HG2' ' N ' ' A' ' 44' ' ' ILE . 5.5 tt0 -67.73 144.35 55.47 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.554 1.159 . . . . 74.43 110.29 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.513 ' CD1' ' OH ' ' A' ' 49' ' ' TYR . 13.9 tt -65.82 171.55 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.492 1.12 . . . . 73.53 109.22 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.477 ' O ' HG21 ' A' ' 4' ' ' THR . 3.6 t0 -75.67 -40.15 56.42 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.464 1.102 . . . . 74.13 109.326 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.575 ' HB2' ' CD2' ' A' ' 5' ' ' PHE . 0.0 OUTLIER -153.75 160.75 42.39 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 72.31 109.259 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.732 ' O ' HG23 ' A' ' 32' ' ' ILE . 0.8 OUTLIER -101.14 96.96 7.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 73.31 110.334 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.654 ' CB ' ' CE2' ' A' ' 5' ' ' PHE . 3.8 tptt -165.39 127.34 2.05 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.548 1.155 . . . . 65.41 109.309 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.785 ' O ' HG22 ' A' ' 31' ' ' VAL . 31.2 m-85 -155.99 105.8 2.38 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.517 1.135 . . . . 72.34 110.966 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.998 HD22 ' HA ' ' A' ' 30' ' ' PRO . 0.4 OUTLIER -94.58 77.05 3.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 74.33 109.333 179.958 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.749 HG11 ' CD1' ' A' ' 60' ' ' PHE . 9.9 m -75.97 147.04 80.02 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.506 1.128 . . . . 63.4 109.301 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.94 -177.07 3.2 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.49 1.784 . . . . 72.44 111.012 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -92.64 18.39 8.79 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.546 1.154 . . . . 72.45 109.291 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -120.77 -39.11 2.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.41 1.069 . . . . 72.41 109.339 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.872 HD23 ' HB1' ' B' ' 630' ' ' ALA . 0.0 OUTLIER -58.67 131.68 51.58 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.453 1.096 . . . . 73.35 109.393 179.959 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.532 ' N ' HD12 ' A' ' 55' ' ' LEU . 0.1 OUTLIER -96.05 -168.69 1.79 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.525 1.141 . . . . 33.54 110.456 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 3.1 t -77.76 -62.39 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.492 1.12 . . . . 60.44 109.294 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -53.81 -18.87 9.01 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.468 1.105 . . . . 73.23 110.953 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.55 ' HB2' ' CD1' ' A' ' 55' ' ' LEU . 68.1 mt-30 -95.6 -27.24 15.43 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.511 0.771 . . . . 74.53 110.351 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.749 ' CD1' HG11 ' A' ' 51' ' ' VAL . 70.2 t80 -69.64 -36.56 76.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 73.03 111.031 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.771 HG13 ' CG2' ' A' ' 76' ' ' ILE . 59.1 t -54.09 -47.48 66.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.55 1.156 . . . . 73.01 109.31 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.557 ' CD1' ' O ' ' A' ' 62' ' ' TYR . 0.1 OUTLIER -43.22 -28.99 0.35 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.62 1.2 . . . . 74.54 110.974 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.926 HG21 ' C ' ' B' ' 630' ' ' ALA . 79.1 t -80.71 -44.61 21.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.431 1.082 . . . . 65.32 109.238 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.693 ' CD1' ' CE2' ' A' ' 49' ' ' TYR . 9.3 mm -62.0 -30.88 49.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 74.05 109.294 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 6.7 tpp85 -82.43 -6.09 59.07 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.395 1.059 . . . . 63.25 110.345 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 8.2 mtmt -86.53 -44.65 11.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.143 . . . . 71.45 109.302 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.505 ' HG3' HD11 ' A' ' 44' ' ' ILE . 4.4 mmp_? -57.68 -64.66 0.82 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.103 . . . . 74.15 110.3 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.616 HD11 HD12 ' A' ' 76' ' ' ILE . 5.9 pt -72.75 -5.56 6.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.538 1.149 . . . . 74.21 109.345 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.501 ' CG ' ' O ' ' A' ' 68' ' ' ILE . 3.8 ptp 42.59 44.34 3.59 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.126 . . . . 64.34 111.04 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.492 HD22 HD12 ' A' ' 68' ' ' ILE . 5.1 tp -65.79 140.57 97.35 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.492 1.12 . . . . 62.43 109.252 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 171.55 18.1 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.425 1.75 . . . . 75.31 110.979 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_endo -74.9 -1.49 11.27 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.555 1.818 . . . . 73.31 111.064 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -86.81 1.95 50.59 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.143 . . . . 75.11 110.335 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 20.5 mttp -125.51 -179.23 4.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 74.24 109.311 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -139.61 151.21 45.82 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.516 1.135 . . . . 54.01 109.308 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.771 ' CG2' HG13 ' A' ' 61' ' ' VAL . 2.1 tt -141.28 119.93 10.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 71.13 109.25 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.629 ' HB3' HD11 ' A' ' 84' ' ' LEU . 80.9 m-85 -115.62 135.22 54.28 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 70.23 111.004 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.552 ' CG2' ' CG2' ' A' ' 107' ' ' VAL . 3.0 mm -84.5 137.46 20.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.472 1.108 . . . . 70.04 109.324 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -128.43 121.28 28.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 63.12 110.964 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.575 ' O ' HG22 ' A' ' 83' ' ' THR . 2.8 t -122.86 109.24 23.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.582 1.176 . . . . 75.21 109.302 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . 0.553 ' ND2' ' CE1' ' A' ' 98' ' ' HIS . 2.1 m-80 71.31 19.82 5.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 74.42 109.226 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . 0.503 ' CB ' ' O ' ' A' ' 81' ' ' ASN . 0.9 OUTLIER 81.93 24.53 0.22 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 75.13 109.248 179.979 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.575 HG22 ' O ' ' A' ' 80' ' ' VAL . 0.7 OUTLIER -133.43 135.36 44.54 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.472 1.108 . . . . 74.25 110.393 -179.97 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.629 HD11 ' HB3' ' A' ' 77' ' ' PHE . 0.2 OUTLIER -91.62 112.27 53.54 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.135 . . . . 64.22 109.257 179.963 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.09 167.13 27.64 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.45 1.763 . . . . 73.14 110.93 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . 0.834 ' HG2' ' HB2' ' A' ' 89' ' ' ALA . 18.7 Cg_endo -74.84 -168.54 0.52 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.406 1.74 . . . . 70.44 111.085 179.895 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 3.7 p -97.02 -35.19 10.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.451 1.094 . . . . 62.41 110.447 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -85.11 8.71 17.09 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.549 1.156 . . . . 71.44 109.281 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 1.066 ' HB1' HD11 ' A' ' 94' ' ' ILE . . . -76.84 61.23 1.87 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.408 1.068 . . . . 73.43 109.272 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.591 ' C ' ' O ' ' A' ' 89' ' ' ALA . 0.3 OUTLIER -24.66 122.41 0.05 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 71.21 109.331 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . 0.437 ' CG ' ' O ' ' A' ' 55' ' ' LEU . 44.3 mmm -52.93 -19.32 2.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.441 1.088 . . . . 71.21 110.968 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . 0.486 ' HA ' ' CD1' ' A' ' 29' ' ' ILE . 10.8 t -69.73 -46.69 65.36 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.483 1.115 . . . . 61.22 110.024 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -73.25 -31.9 64.39 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.554 1.159 . . . . 70.44 109.267 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 1.066 HD11 ' HB1' ' A' ' 89' ' ' ALA . 16.6 mm -61.81 -45.32 98.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 61.53 109.38 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . 0.632 ' CD1' ' O ' ' A' ' 95' ' ' TYR . 10.5 t80 -69.19 -6.15 27.11 Favored 'General case' 0 C--N 1.326 -0.413 0 O-C-N 124.429 1.08 . . . . 52.14 110.99 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . 0.466 ' O ' ' CG ' ' A' ' 96' ' ' GLN . 2.7 tp-100 -102.56 -8.97 20.57 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.13 . . . . 73.33 110.272 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -119.42 -7.82 10.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 70.13 110.285 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . 0.553 ' CE1' ' ND2' ' A' ' 81' ' ' ASN . 48.6 m-70 -133.04 17.99 4.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 62.03 109.607 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.484 ' HB3' ' O ' ' A' ' 95' ' ' TYR . 0.0 OUTLIER -51.12 171.87 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.453 1.095 . . . . 60.42 109.249 -179.973 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -134.73 166.32 23.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.564 1.165 . . . . 64.51 109.385 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 28.2 mtmt -59.23 -45.6 90.71 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.463 1.102 . . . . 74.24 109.294 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . 0.54 ' HB3' ' CE1' ' A' ' 11' ' ' PHE . 0.5 OUTLIER -72.24 -6.57 43.87 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 52.35 109.293 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 88.02 -39.58 3.11 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.529 1.143 . . . . 42.14 110.984 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . 0.566 ' CD2' ' HG3' ' A' ' 14' ' ' ARG . 3.7 m-85 -62.76 134.44 56.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.44 0.73 . . . . 73.23 111.023 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.511 HD13 ' CD2' ' A' ' 95' ' ' TYR . 2.7 tp -79.69 165.4 22.88 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.446 1.091 . . . . 74.42 109.281 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 88.4 m-85 -142.19 91.88 2.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 64.4 111.05 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.552 ' CG2' ' CG2' ' A' ' 78' ' ' ILE . 1.4 p -102.43 164.73 3.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.64 1.212 . . . . 71.32 109.164 -179.907 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . 0.515 HG22 ' O ' ' A' ' 34' ' ' GLU . 0.2 OUTLIER -144.53 160.48 41.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.446 1.091 . . . . 74.21 110.359 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' TYR . . . . . 0.743 ' CD2' HD11 ' A' ' 76' ' ' ILE . 41.5 p90 -138.85 135.98 35.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.54 1.15 . . . . 63.54 111.041 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 52.7 p -127.46 160.29 31.92 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.468 1.105 . . . . 73.5 110.05 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . 0.472 ' HA3' ' CG2' ' A' ' 41' ' ' ILE . . . -80.89 -3.14 90.58 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.463 1.102 . . . . 54.34 110.998 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 10.9 pm0 -125.95 159.65 32.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 0.77 . . . . 65.25 110.356 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . 0.583 HD21 HD22 ' A' ' 84' ' ' LEU . 25.0 t-20 -92.22 15.79 12.88 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.56 1.162 . . . . 71.13 109.271 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . 0.704 HG22 ' H ' ' A' ' 115' ' ' PHE . 4.7 m -138.56 -171.14 2.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 73.22 110.374 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . 0.704 ' H ' HG22 ' A' ' 114' ' ' THR . 4.1 p90 -115.78 97.74 6.29 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.429 1.081 . . . . 74.33 110.973 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 O-C-N 124.475 1.109 . . . . 63.52 110.975 179.939 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 597' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.038 0 N-CA-C 110.937 -0.865 . . . . 75.34 110.937 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 598' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 107.68 2.54 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.552 1.817 . . . . 62.55 111.01 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 599' ' ' HIS . . . . . 0.493 ' CD2' ' HE2' ' A' ' 1' ' ' MET . 59.1 m80 -153.32 164.9 37.3 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.512 1.132 . . . . 61.33 109.581 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 600' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -175.73 -174.53 0.69 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 71.31 110.988 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 601' ' ' ILE . . . . . 0.512 HG23 ' HZ2' ' A' ' 6' ' ' LYS . 24.0 mm -47.93 101.74 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.527 1.142 . . . . 72.44 109.306 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 602' ' ' SER . . . . . . . . . . . . . 49.1 m -87.76 -74.58 0.44 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 55.44 109.955 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 603' ' ' GLY . . . . . . . . . . . . . . . 48.72 95.69 0.01 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.487 1.117 . . . . 71.31 111.095 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 604' ' ' LEU . . . . . 0.529 HD23 ' CG1' ' B' ' 606' ' ' VAL . 61.5 tp -116.31 164.97 13.73 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 0.779 . . . . 63.33 109.277 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 605' ' ' SER . . . . . 0.505 ' H ' HD12 ' B' ' 604' ' ' LEU . 4.8 t -89.72 42.68 1.1 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 73.05 109.954 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 606' ' ' VAL . . . . . 0.529 ' CG1' HD23 ' B' ' 604' ' ' LEU . 4.6 p -115.94 157.02 16.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.555 1.16 . . . . 74.11 109.22 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 607' ' ' ILE . . . . . 0.728 HG22 ' H ' ' B' ' 608' ' ' LYS . 1.9 mm -121.36 -174.87 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.455 1.097 . . . . 71.45 109.323 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 608' ' ' LYS . . . . . 0.728 ' H ' HG22 ' B' ' 607' ' ' ILE . 8.2 mttm 70.02 23.49 5.38 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.456 1.098 . . . . 71.52 109.302 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 609' ' ' GLN . . . . . 0.49 HE22 HG13 ' B' ' 606' ' ' VAL . 59.4 mm-40 -38.33 155.0 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.561 1.163 . . . . 75.51 110.371 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 610' ' ' GLU . . . . . 0.716 ' O ' HG13 ' B' ' 611' ' ' VAL . 5.4 pt-20 -53.0 -173.73 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.486 1.116 . . . . 74.31 110.216 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 611' ' ' VAL . . . . . 0.716 HG13 ' O ' ' B' ' 610' ' ' GLU . 2.4 m -160.79 116.23 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.56 1.162 . . . . 74.53 109.237 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 612' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -109.54 -80.15 0.58 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 72.22 110.342 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 613' ' ' ARG . . . . . 0.561 ' HD2' ' CZ3' ' B' ' 621' ' ' TRP . 6.5 ptt180 -115.77 -33.42 5.16 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.402 1.064 . . . . 71.31 110.34 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 614' ' ' LEU . . . . . 0.834 HD23 ' HZ3' ' B' ' 621' ' ' TRP . 4.1 pp -110.43 -173.3 2.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 75.01 109.358 179.907 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 615' ' ' GLY . . . . . . . . . . . . . . . -170.96 -106.36 0.19 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.508 1.13 . . . . 55.23 111.011 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 616' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -40.05 -66.45 0.31 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.576 0.809 . . . . 73.32 109.322 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 617' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -87.78 -167.63 1.95 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.474 1.108 . . . . 64.21 109.288 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 618' ' ' VAL . . . . . 0.589 HG12 ' OH ' ' A' ' 9' ' ' TYR . 0.4 OUTLIER -106.84 -37.17 3.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.553 1.158 . . . . 73.24 109.323 179.963 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 619' ' ' PHE . . . . . 0.485 ' CD1' ' N ' ' B' ' 619' ' ' PHE . 4.4 m-30 -99.55 87.61 3.63 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.505 1.128 . . . . 72.23 110.991 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 620' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -113.32 21.26 15.41 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.484 1.115 . . . . 53.42 110.288 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 621' ' ' TRP . . . . . 0.834 ' HZ3' HD23 ' B' ' 614' ' ' LEU . 2.9 p90 -141.82 -169.97 3.02 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 108.001 -1.111 . . . . 73.32 108.001 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 622' ' ' GLU . . . . . 0.419 ' O ' ' O ' ' B' ' 623' ' ' ASP . 7.2 pt-20 -52.45 -174.49 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.555 1.159 . . . . 64.15 110.284 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 623' ' ' ASP . . . . . 0.419 ' O ' ' O ' ' B' ' 622' ' ' GLU . 36.3 m-20 39.29 90.67 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.454 1.096 . . . . 72.32 109.316 -179.906 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 624' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -84.82 -46.71 11.09 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 63.21 109.251 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 625' ' ' GLU . . . . . 0.409 ' O ' ' C ' ' B' ' 626' ' ' SER . 1.9 pt-20 -131.59 11.32 4.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 75.1 110.261 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 626' ' ' SER . . . . . 0.593 ' O ' HD11 ' B' ' 629' ' ' ILE . 32.8 t -38.8 152.23 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.517 1.135 . . . . 72.44 110.103 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 627' ' ' ASP . . . . . . . . . . . . . 47.0 p30 -89.34 15.51 8.98 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.416 1.073 . . . . 61.45 109.314 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 628' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -79.46 -4.52 51.58 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.113 . . . . 70.04 110.299 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 629' ' ' ILE . . . . . 0.593 HD11 ' O ' ' B' ' 626' ' ' SER . 1.2 pp -110.53 25.25 3.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.147 . . . . 61.41 109.317 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 630' ' ' ALA . . . . . 0.926 ' C ' HG21 ' A' ' 63' ' ' VAL . . . . . . . . 0 C--N 1.324 -0.511 0 O-C-N 124.543 1.152 . . . . 73.25 109.288 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 0' ' ' HIS . . . . . . . . . . . . . 1.8 t-160 . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.54 -0.541 . . . . 72.51 109.54 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -164.08 -176.32 4.44 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.457 1.098 . . . . 71.22 110.994 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 25.3 mttt -140.17 -52.79 0.51 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.455 1.097 . . . . 64.1 109.338 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.7 m -74.73 174.94 8.44 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.441 1.088 . . . . 61.21 109.979 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.662 ' CG2' HH21 ' A' ' 47' ' ' ARG . 81.3 p -147.45 -74.99 0.19 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.122 . . . . 74.44 110.398 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.609 ' CZ ' ' OH ' ' A' ' 9' ' ' TYR . 88.2 t80 -57.99 -30.32 65.96 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.546 1.153 . . . . 75.11 110.972 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 17.5 ttpp -91.64 -28.16 17.66 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.563 1.164 . . . . 72.11 109.278 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 19.9 t -80.5 2.97 23.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.613 1.195 . . . . 63.35 109.956 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.509 ' HB3' ' CD1' ' A' ' 9' ' ' TYR . 12.8 tp10 -85.6 -32.88 21.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 75.05 110.319 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.609 ' OH ' ' CZ ' ' A' ' 5' ' ' PHE . 2.0 p90 -148.2 166.37 15.88 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.487 1.117 . . . . 62.13 111.035 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.9 168.38 24.97 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.502 1.791 . . . . 44.44 111.042 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.545 ' CE2' ' HB3' ' A' ' 102' ' ' ASP . 1.4 t80 -61.97 -28.81 69.81 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.558 1.161 . . . . 73.12 110.998 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 13.5 mt-10 -66.96 -8.71 31.7 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.648 1.217 . . . . 72.25 110.283 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.8 tppp? -100.06 -48.73 4.54 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.522 1.138 . . . . 72.31 109.301 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.8 HH21 ' HB3' ' A' ' 104' ' ' PHE . 4.2 ptm85 -64.52 -42.98 95.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 72.4 110.278 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.491 ' HD3' ' CE1' ' A' ' 11' ' ' PHE . 2.2 pttt -56.37 -40.03 73.9 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.531 1.145 . . . . 63.02 109.331 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -77.77 -19.65 54.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 52.13 109.284 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.592 ' HG2' HG11 ' B' ' 618' ' ' VAL . 13.7 tp10 -74.73 -58.23 3.42 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.114 . . . . 64.25 110.288 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -57.46 -17.11 11.63 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.494 1.121 . . . . 73.4 109.959 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -68.57 -45.13 72.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 72.31 110.315 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.425 ' HG3' ' N ' ' A' ' 21' ' ' ILE . 0.5 OUTLIER -75.68 -24.61 56.32 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.526 1.141 . . . . 74.03 110.272 -179.938 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.425 ' N ' ' HG3' ' A' ' 20' ' ' ARG . 5.9 mt -66.76 -23.08 30.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.546 1.154 . . . . 70.13 109.288 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -68.51 -17.2 64.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.108 . . . . 53.32 109.287 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -102.15 -41.08 6.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.45 1.094 . . . . 74.04 109.295 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.598 ' O ' ' CD1' ' A' ' 25' ' ' PHE . 14.1 mmm-85 -66.4 -33.04 74.83 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.531 1.145 . . . . 72.2 110.309 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.598 ' CD1' ' O ' ' A' ' 24' ' ' ARG . 34.3 m-85 -159.75 86.56 2.06 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.459 1.099 . . . . 64.32 110.976 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -14.36 21.15 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.483 1.781 . . . . 74.2 110.933 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 20.6 m-20 -107.76 48.49 0.85 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 72.44 109.317 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.522 ' O ' HD13 ' A' ' 29' ' ' ILE . 8.5 mmt85 -134.31 -179.66 5.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 75.13 110.294 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.522 HD13 ' O ' ' A' ' 28' ' ' ARG . 37.3 mm -143.2 97.31 5.7 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.13 . . . . 73.21 109.368 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.575 ' HD2' ' CE2' ' A' ' 95' ' ' TYR . 18.2 Cg_endo -74.96 123.9 8.25 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.518 1.799 . . . . 64.02 111.024 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.461 HG13 HG22 ' A' ' 51' ' ' VAL . 0.9 OUTLIER -134.0 173.4 14.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.504 1.128 . . . . 75.34 109.323 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.448 ' N ' ' O ' ' A' ' 105' ' ' LEU . 7.4 mm -135.04 98.45 2.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.135 . . . . 65.24 109.29 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.683 ' HA ' HG13 ' A' ' 107' ' ' VAL . 14.3 t -68.22 116.03 8.36 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.552 1.158 . . . . 43.2 108.291 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.896 ' HB3' HG23 ' A' ' 108' ' ' THR . 16.5 tp10 -114.3 158.09 21.9 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.562 1.164 . . . . 74.13 110.324 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.569 ' HG2' ' CE2' ' A' ' 109' ' ' TYR . 0.2 OUTLIER -118.69 116.69 27.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 74.11 109.378 179.941 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -55.88 172.71 0.17 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.528 1.142 . . . . 61.54 109.282 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.427 ' CG ' ' N ' ' A' ' 38' ' ' LYS . 11.6 pt-20 -96.16 -49.28 5.3 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.477 1.111 . . . . 72.1 110.328 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.427 ' N ' ' CG ' ' A' ' 37' ' ' GLU . 35.7 mttm -51.26 -31.33 20.61 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.465 1.103 . . . . 70.13 109.309 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -56.58 153.13 10.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 61.22 109.989 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 9.3 t0 -115.77 13.95 16.24 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.456 1.097 . . . . 65.12 109.256 -179.876 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.613 HD11 ' CE2' ' A' ' 109' ' ' TYR . 0.1 OUTLIER -85.45 165.78 33.98 Favored Pre-proline 0 C--N 1.326 -0.434 0 O-C-N 124.547 1.155 . . . . 75.43 109.281 -179.95 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.523 ' O ' HG21 ' A' ' 68' ' ' ILE . 18.4 Cg_endo -75.12 122.48 7.18 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.472 1.775 . . . . 64.4 110.985 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -62.55 142.75 57.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.44 1.087 . . . . 74.43 110.304 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.503 ' CD1' ' OH ' ' A' ' 49' ' ' TYR . 17.8 tt -68.67 170.16 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 73.53 109.289 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -70.85 -46.24 63.04 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.535 1.147 . . . . 74.13 109.404 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -151.18 160.02 44.09 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.507 1.129 . . . . 72.31 109.241 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.662 HH21 ' CG2' ' A' ' 4' ' ' THR . 0.0 OUTLIER -103.7 93.6 5.0 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 73.31 110.333 179.968 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.595 ' HG2' ' CE2' ' A' ' 5' ' ' PHE . 0.0 OUTLIER -167.03 112.28 0.75 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.554 1.159 . . . . 65.41 109.215 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.57 ' CD1' ' HB2' ' A' ' 33' ' ' CYS . 27.7 m-85 -136.91 119.66 16.19 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.516 1.135 . . . . 72.34 110.997 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.474 HD13 ' HA ' ' A' ' 50' ' ' LEU . 0.0 OUTLIER -98.68 76.72 2.22 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.53 1.144 . . . . 74.33 109.299 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.568 HG11 ' CD1' ' A' ' 60' ' ' PHE . 13.1 m -80.42 147.59 64.39 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.12 . . . . 63.4 109.239 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 51' ' ' VAL . 18.1 Cg_endo -75.13 -178.56 4.28 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.53 1.805 . . . . 72.44 110.962 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -93.16 18.42 9.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.115 . . . . 72.45 109.272 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 32.4 m-20 -119.47 -38.38 3.02 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.451 1.094 . . . . 72.41 109.291 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.8 HD13 ' HB1' ' B' ' 630' ' ' ALA . 0.5 OUTLIER -56.32 131.19 47.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.106 . . . . 73.35 109.318 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 1.011 HG22 ' CD2' ' A' ' 90' ' ' LEU . 5.6 p -92.37 175.22 6.92 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.486 1.116 . . . . 33.54 110.45 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.484 ' CG1' ' O ' ' A' ' 86' ' ' PRO . 3.2 t -66.09 -35.75 75.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.55 1.156 . . . . 60.44 109.357 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -77.74 -6.41 86.98 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.564 1.165 . . . . 73.23 110.979 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.617 ' OE1' HG23 ' A' ' 56' ' ' THR . 53.7 mt-30 -99.63 -22.19 15.53 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.541 0.789 . . . . 74.53 110.342 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.735 ' CZ ' HD11 ' A' ' 64' ' ' ILE . 40.0 t80 -78.24 -54.39 6.28 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 73.03 111.044 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.726 HG22 ' CG1' ' A' ' 78' ' ' ILE . 63.9 t -40.25 -34.63 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.508 1.13 . . . . 73.01 109.277 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.573 ' CD1' ' HD3' ' A' ' 66' ' ' LYS . 0.5 OUTLIER -58.07 -57.29 13.47 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.449 1.093 . . . . 74.54 111.062 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.926 HG21 ' C ' ' B' ' 630' ' ' ALA . 74.3 t -56.64 -40.86 72.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 65.32 109.33 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.735 HD11 ' CZ ' ' A' ' 60' ' ' PHE . 29.5 mm -57.93 -50.94 76.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.558 1.162 . . . . 74.05 109.313 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.468 ' CD ' ' HB3' ' A' ' 70' ' ' LEU . 8.4 tpp85 -59.25 -31.32 68.97 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.491 1.12 . . . . 63.25 110.229 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.573 ' HD3' ' CD1' ' A' ' 62' ' ' TYR . 0.1 OUTLIER -64.5 -53.71 43.75 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.529 1.143 . . . . 71.45 109.312 -179.962 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.412 ' HG3' ' OH ' ' A' ' 49' ' ' TYR . 0.7 OUTLIER -48.26 -66.16 0.45 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.572 1.17 . . . . 74.15 110.313 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.732 HD11 HD12 ' A' ' 76' ' ' ILE . 5.4 pt -71.23 -5.98 6.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.516 1.135 . . . . 74.21 109.261 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.508 ' CG ' ' O ' ' A' ' 68' ' ' ILE . 9.0 ptp 43.21 43.96 4.23 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 64.34 110.974 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.475 HD12 ' HA ' ' A' ' 70' ' ' LEU . 5.6 tp -66.79 140.75 96.43 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 62.43 109.321 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.422 ' HD3' ' HA ' ' A' ' 70' ' ' LEU . 18.3 Cg_endo -75.13 167.57 26.63 Favored 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.433 1.754 . . . . 75.31 110.972 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 0.13 9.25 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.612 1.848 . . . . 73.31 110.997 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -89.23 4.06 49.93 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 75.11 110.3 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -124.85 -179.39 4.51 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.475 1.11 . . . . 74.24 109.287 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.408 ' HB1' ' CE1' ' A' ' 77' ' ' PHE . . . -138.27 138.06 38.07 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.125 . . . . 54.01 109.304 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.732 HD12 HD11 ' A' ' 68' ' ' ILE . 0.9 OUTLIER -131.66 121.44 47.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.56 1.163 . . . . 71.13 109.254 -180.0 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.478 ' HB3' HD11 ' A' ' 84' ' ' LEU . 70.5 m-85 -120.42 143.08 48.66 Favored 'General case' 0 C--N 1.327 -0.408 0 O-C-N 124.468 1.105 . . . . 70.23 111.02 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.726 ' CG1' HG22 ' A' ' 61' ' ' VAL . 3.7 mm -84.7 157.84 3.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.448 1.092 . . . . 70.04 109.33 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . 0.484 ' N ' ' O ' ' A' ' 108' ' ' THR . 5.8 m-85 -148.23 129.76 14.92 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 63.12 111.085 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.593 ' O ' HG22 ' A' ' 83' ' ' THR . 2.0 t -138.2 114.87 11.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.424 1.077 . . . . 75.21 109.3 -179.899 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . 0.481 ' O ' ' CB ' ' A' ' 82' ' ' ASP . 1.1 m-80 67.31 20.28 10.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.146 . . . . 74.42 109.347 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . 0.481 ' CB ' ' O ' ' A' ' 81' ' ' ASN . 0.2 OUTLIER 82.42 16.02 0.4 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.47 1.106 . . . . 75.13 109.259 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.593 HG22 ' O ' ' A' ' 80' ' ' VAL . 0.7 OUTLIER -121.45 137.59 54.65 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.469 1.106 . . . . 74.25 110.372 -179.936 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.501 ' CD1' ' O ' ' A' ' 78' ' ' ILE . 0.2 OUTLIER -92.87 111.22 50.32 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.574 1.171 . . . . 64.22 109.284 179.958 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . 0.405 ' HD3' ' O ' ' A' ' 83' ' ' THR . 18.3 Cg_endo -75.01 155.33 42.87 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.483 1.78 . . . . 73.14 110.972 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . 0.643 ' HD2' ' HB2' ' A' ' 89' ' ' ALA . 18.5 Cg_endo -75.03 -163.34 0.18 Allowed 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.65 1.869 . . . . 70.44 111.06 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 7.1 p -97.22 -34.81 10.97 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 62.41 110.323 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -79.62 2.68 21.54 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.412 1.07 . . . . 71.44 109.224 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 1.054 ' HB1' HD11 ' A' ' 94' ' ' ILE . . . -76.44 60.28 1.56 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.444 1.09 . . . . 73.43 109.341 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 1.011 ' CD2' HG22 ' A' ' 56' ' ' THR . 14.6 mt -28.34 118.09 0.11 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 71.21 109.374 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . 0.4 ' HE2' HG21 ' A' ' 51' ' ' VAL . 48.2 mmm -40.22 -28.22 0.06 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 71.21 110.962 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . 0.419 ' N ' ' O ' ' A' ' 90' ' ' LEU . 1.0 OUTLIER -66.1 -49.66 66.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.595 1.185 . . . . 61.22 109.97 -179.964 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.446 ' N ' ' O ' ' A' ' 90' ' ' LEU . . . -71.96 -8.15 52.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.566 1.166 . . . . 70.44 109.256 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 1.054 HD11 ' HB1' ' A' ' 89' ' ' ALA . 19.8 mm -90.21 -47.6 14.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.565 1.165 . . . . 61.53 109.259 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . 0.814 ' CD2' HD23 ' A' ' 105' ' ' LEU . 5.1 t80 -70.9 -6.45 38.44 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 52.14 111.068 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . 0.451 ' O ' ' CG ' ' A' ' 96' ' ' GLN . 19.0 tp60 -100.71 -9.7 21.56 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.454 1.096 . . . . 73.33 110.26 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . 0.466 ' HG3' ' CE1' ' A' ' 98' ' ' HIS . 4.6 pt-20 -118.09 -10.59 10.31 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.535 1.147 . . . . 70.13 110.322 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . 0.503 ' HB2' HD11 ' A' ' 105' ' ' LEU . 25.0 m-70 -125.8 16.78 8.04 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 62.03 109.625 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.474 ' HB3' ' O ' ' A' ' 95' ' ' TYR . 0.1 OUTLIER -57.05 157.19 6.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.607 1.192 . . . . 60.42 109.322 -179.953 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -126.72 173.81 9.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.11 . . . . 64.51 109.29 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 20.9 mmmt -60.45 -31.18 70.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 74.24 109.338 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . 0.545 ' HB3' ' CE2' ' A' ' 11' ' ' PHE . 0.4 OUTLIER -84.11 -15.22 48.09 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.572 1.17 . . . . 52.35 109.293 179.927 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . 0.473 ' O ' ' CE2' ' A' ' 95' ' ' TYR . . . 87.87 -39.31 3.12 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.491 1.119 . . . . 42.14 110.992 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . 0.8 ' HB3' HH21 ' A' ' 14' ' ' ARG . 11.9 m-85 -59.7 121.08 10.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 0.759 . . . . 73.23 110.996 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.814 HD23 ' CD2' ' A' ' 95' ' ' TYR . 0.3 OUTLIER -66.06 146.33 54.8 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 74.42 109.335 179.955 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . 0.423 ' OH ' ' NE ' ' A' ' 14' ' ' ARG . 73.0 m-85 -122.82 88.8 2.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.144 . . . . 64.4 110.929 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.683 HG13 ' HA ' ' A' ' 33' ' ' CYS . 3.1 p -95.09 168.19 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.506 1.129 . . . . 71.32 109.28 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . 0.896 HG23 ' HB3' ' A' ' 34' ' ' GLU . 0.2 OUTLIER -153.02 126.84 8.9 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.468 1.105 . . . . 74.21 110.388 -179.958 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' TYR . . . . . 0.627 ' CD2' HD11 ' A' ' 76' ' ' ILE . 40.4 p90 -112.34 138.68 48.72 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.381 1.051 . . . . 63.54 111.047 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -128.71 162.9 26.3 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.507 1.129 . . . . 73.5 109.978 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . 0.483 ' HA3' ' CG2' ' A' ' 41' ' ' ILE . . . -74.01 -31.35 59.94 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.462 1.101 . . . . 54.34 111.01 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . 0.427 ' OE1' ' N ' ' A' ' 112' ' ' GLU . 3.6 pm0 -97.29 177.28 5.61 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 0.784 . . . . 65.25 110.318 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 38.8 t30 -112.64 28.62 8.63 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.553 1.158 . . . . 71.13 109.314 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . 0.569 HG22 ' H ' ' A' ' 115' ' ' PHE . 3.1 m -153.55 -178.1 6.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.13 . . . . 73.22 110.39 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . 0.569 ' H ' HG22 ' A' ' 114' ' ' THR . 1.3 p90 -119.3 97.26 5.58 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.594 1.184 . . . . 74.33 111.036 -179.917 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.948 0 O-C-N 124.573 1.17 . . . . 63.52 111.004 -179.957 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 597' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 N-CA-C 110.951 -0.86 . . . . 75.34 110.951 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 598' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.09 131.52 14.28 Favored 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.484 1.781 . . . . 62.55 110.959 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 599' ' ' HIS . . . . . . . . . . . . . 11.1 t-160 -93.97 130.32 40.11 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 61.33 109.559 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 600' ' ' MET . . . . . . . . . . . . . 2.7 ptt? -68.99 119.55 13.47 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.434 1.084 . . . . 71.31 110.991 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 601' ' ' ILE . . . . . . . . . . . . . 2.2 tt -43.05 135.33 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.566 1.166 . . . . 72.44 109.258 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 602' ' ' SER . . . . . . . . . . . . . 97.9 p -118.81 131.7 56.1 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.462 1.101 . . . . 55.44 109.981 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 603' ' ' GLY . . . . . . . . . . . . . . . 176.76 -130.33 1.64 Allowed Glycine 0 CA--C 1.529 0.93 0 O-C-N 124.521 1.138 . . . . 71.31 111.031 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 604' ' ' LEU . . . . . . . . . . . . . 1.4 pt? -118.09 126.38 52.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 0.753 . . . . 63.33 109.294 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 605' ' ' SER . . . . . . . . . . . . . 4.9 p -164.24 162.79 22.76 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.449 1.093 . . . . 73.05 110.018 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 606' ' ' VAL . . . . . . . . . . . . . 28.4 m -59.86 175.4 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.133 . . . . 74.11 109.341 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 607' ' ' ILE . . . . . 0.694 HG22 ' H ' ' B' ' 608' ' ' LYS . 0.6 OUTLIER -104.09 179.22 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.54 1.15 . . . . 71.45 109.267 -179.959 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 608' ' ' LYS . . . . . 0.694 ' H ' HG22 ' B' ' 607' ' ' ILE . 0.0 OUTLIER -152.1 109.54 3.59 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 71.52 109.33 179.97 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 609' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -104.24 128.18 51.96 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.602 1.189 . . . . 75.51 110.338 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 610' ' ' GLU . . . . . . . . . . . . . 17.8 mm-40 -118.33 -174.75 2.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 74.31 110.313 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 611' ' ' VAL . . . . . 0.477 HG23 ' O ' ' B' ' 614' ' ' LEU . 0.4 OUTLIER -135.94 117.62 20.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.566 1.167 . . . . 74.53 109.335 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 612' ' ' GLU . . . . . 0.411 ' HG3' ' CG ' ' B' ' 613' ' ' ARG . 6.7 pt-20 -102.6 -38.03 7.69 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.502 1.126 . . . . 72.22 110.307 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 613' ' ' ARG . . . . . 0.64 ' HG3' HD12 ' B' ' 614' ' ' LEU . 0.8 OUTLIER -150.3 -44.73 0.13 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.155 . . . . 71.31 110.31 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 614' ' ' LEU . . . . . 0.64 HD12 ' HG3' ' B' ' 613' ' ' ARG . 5.1 mp -69.24 -169.03 0.17 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 75.01 109.293 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 615' ' ' GLY . . . . . . . . . . . . . . . -174.84 -111.52 0.28 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.516 1.135 . . . . 55.23 110.963 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 616' ' ' ASN . . . . . . . . . . . . . 8.1 t30 -58.63 -87.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 0.757 . . . . 73.32 109.32 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 617' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -55.11 -169.5 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.556 0 O-C-N 124.576 1.172 . . . . 64.21 109.324 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 618' ' ' VAL . . . . . 0.621 ' O ' HD23 ' B' ' 614' ' ' LEU . 0.0 OUTLIER -110.72 -24.6 3.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.586 1.179 . . . . 73.24 109.307 179.957 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 619' ' ' PHE . . . . . 0.574 ' CZ ' ' HE2' ' A' ' 48' ' ' LYS . 9.8 m-85 -122.25 107.37 12.04 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.541 1.15 . . . . 72.23 111.025 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 620' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -139.19 50.64 1.8 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.464 1.103 . . . . 53.42 110.295 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 621' ' ' TRP . . . . . 0.406 ' HZ3' HD11 ' B' ' 614' ' ' LEU . 1.9 p90 -151.7 -177.24 5.99 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.124 . . . . 73.32 108.003 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 622' ' ' GLU . . . . . 0.43 ' HG3' ' N ' ' B' ' 623' ' ' ASP . 4.5 tp10 -41.71 -82.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.14 . . . . 64.15 110.298 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 623' ' ' ASP . . . . . 0.509 ' OD2' ' CB ' ' B' ' 626' ' ' SER . 13.1 t0 -74.35 64.42 1.12 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.457 1.098 . . . . 72.32 109.365 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 624' ' ' ASP . . . . . 0.525 ' O ' ' CG ' ' B' ' 619' ' ' PHE . 1.3 p-10 -59.53 -50.3 74.42 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.517 1.136 . . . . 63.21 109.305 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 625' ' ' GLU . . . . . 0.478 ' N ' ' CG ' ' B' ' 624' ' ' ASP . 0.0 OUTLIER -136.67 8.79 3.08 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.404 1.065 . . . . 75.1 110.258 -179.967 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 626' ' ' SER . . . . . 0.509 ' CB ' ' OD2' ' B' ' 623' ' ' ASP . 0.9 OUTLIER -38.78 150.79 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.547 1.154 . . . . 72.44 110.002 179.951 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 627' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -86.48 10.31 15.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 61.45 109.408 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 628' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -72.0 -12.63 61.32 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.493 1.121 . . . . 70.04 110.218 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 629' ' ' ILE . . . . . 0.486 ' C ' HD12 ' B' ' 629' ' ' ILE . 0.7 OUTLIER -92.07 26.57 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 61.41 109.284 -179.969 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 630' ' ' ALA . . . . . 0.926 ' C ' HG21 ' A' ' 63' ' ' VAL . . . . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.548 1.155 . . . . 73.25 109.303 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 0' ' ' HIS . . . . . 0.414 ' ND1' ' N ' ' A' ' 0' ' ' HIS . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.607 -0.516 . . . . 72.51 109.607 . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.4 mmt -87.56 -173.54 4.39 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.524 1.14 . . . . 71.22 111.0 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 81.9 mttt -133.56 -52.05 0.87 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 64.1 109.245 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.468 ' HA ' ' CZ ' ' A' ' 47' ' ' ARG . 6.1 m -72.33 174.69 6.96 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.564 1.165 . . . . 61.21 110.005 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 2.1 p -139.87 -74.22 0.36 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 74.44 110.4 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.814 ' HA ' HD11 ' B' ' 614' ' ' LEU . 59.1 t80 -66.56 -23.1 66.16 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.11 . . . . 75.11 111.031 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.931 ' HD3' HG21 ' A' ' 32' ' ' ILE . 3.8 mtmm -100.86 -24.45 14.36 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.415 1.072 . . . . 72.11 109.289 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 1.3 t -70.09 -6.53 34.55 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.485 1.116 . . . . 63.35 110.002 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.83 ' CB ' HD12 ' B' ' 614' ' ' LEU . 6.9 tp10 -79.77 -50.35 10.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 75.05 110.379 179.889 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.999 ' CZ ' HG12 ' B' ' 618' ' ' VAL . 2.3 p90 -123.53 165.17 24.23 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.541 1.15 . . . . 62.13 110.958 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.452 ' HD3' ' CG ' ' B' ' 609' ' ' GLN . 18.4 Cg_endo -74.99 -177.16 3.27 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.521 1.8 . . . . 44.44 111.017 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 33.5 t80 -74.52 -33.06 62.69 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.538 1.149 . . . . 73.12 111.074 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.408 ' HG2' ' NZ ' ' A' ' 15' ' ' LYS . 18.9 mt-10 -69.81 -7.2 37.86 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.471 1.107 . . . . 72.25 110.284 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 6.4 tppt? -100.42 -41.52 6.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.141 . . . . 72.31 109.309 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.454 ' NE ' ' OH ' ' A' ' 106' ' ' TYR . 3.3 ptm85 -72.64 -39.57 67.07 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.425 1.078 . . . . 72.4 110.317 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.443 ' N ' ' CG ' ' A' ' 14' ' ' ARG . 47.5 pttt -58.9 -37.22 76.13 Favored 'General case' 0 C--N 1.327 -0.404 0 O-C-N 124.433 1.083 . . . . 63.02 109.363 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -82.4 -16.07 50.38 Favored 'General case' 0 C--N 1.327 -0.392 0 O-C-N 124.467 1.105 . . . . 52.13 109.281 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.597 ' HG2' HG21 ' B' ' 618' ' ' VAL . 27.3 tp10 -76.3 -50.85 13.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.558 1.161 . . . . 64.25 110.321 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.481 ' OG ' ' CD2' ' A' ' 104' ' ' PHE . 0.0 OUTLIER -66.38 -10.35 42.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.59 1.181 . . . . 73.4 110.008 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -72.04 -41.0 67.98 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.138 . . . . 72.31 110.344 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.409 ' HG3' ' N ' ' A' ' 21' ' ' ILE . 0.7 OUTLIER -81.31 -27.91 34.82 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.502 1.126 . . . . 74.03 110.282 179.959 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.456 HG12 ' CE2' ' A' ' 25' ' ' PHE . 3.7 mt -69.05 -19.17 23.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.543 1.152 . . . . 70.13 109.347 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -78.97 -11.96 60.02 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.454 1.097 . . . . 53.32 109.309 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -106.18 -36.63 6.84 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 74.04 109.295 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.503 ' HB3' ' CE1' ' A' ' 25' ' ' PHE . 5.3 mmm180 -81.26 -39.11 25.79 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.145 . . . . 72.2 110.233 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.503 ' CE1' ' HB3' ' A' ' 24' ' ' ARG . 1.9 m-85 -130.41 66.86 79.26 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.597 1.185 . . . . 64.32 111.065 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 -31.91 5.85 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.52 1.8 . . . . 74.2 111.096 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 51.8 m-20 -87.42 11.73 13.89 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.474 1.109 . . . . 72.44 109.246 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.503 ' O ' HD13 ' A' ' 29' ' ' ILE . 1.6 mmt-85 -105.77 -175.94 2.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 75.13 110.324 179.891 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.679 HG23 ' CB ' ' A' ' 95' ' ' TYR . 37.4 mm -145.08 97.34 4.84 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 73.21 109.207 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.53 ' HA ' ' CD2' ' A' ' 50' ' ' LEU . 18.2 Cg_endo -75.06 139.63 24.36 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.502 1.79 . . . . 64.02 111.031 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.857 HG23 ' HB3' ' A' ' 105' ' ' LEU . 5.0 p -156.76 147.22 11.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 75.34 109.272 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.931 HG21 ' HD3' ' A' ' 6' ' ' LYS . 4.4 mm -111.11 105.76 19.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 65.24 109.295 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.581 ' HB2' ' CD1' ' A' ' 49' ' ' TYR . 0.5 OUTLIER -76.36 146.77 38.53 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 43.2 108.28 -179.969 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.683 ' HB3' HG23 ' A' ' 108' ' ' THR . 6.3 tt0 -135.42 168.82 18.5 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.572 1.17 . . . . 74.13 110.296 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.413 ' HD2' ' N ' ' A' ' 36' ' ' ALA . 0.0 OUTLIER -127.19 127.42 44.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 74.11 109.293 -179.975 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.458 ' HB3' ' HB2' ' A' ' 110' ' ' SER . . . -74.45 134.87 42.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.115 . . . . 61.54 109.289 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.447 ' CG ' ' N ' ' A' ' 38' ' ' LYS . 11.2 pt-20 -64.72 -52.25 58.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 72.1 110.312 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.447 ' N ' ' CG ' ' A' ' 37' ' ' GLU . 47.3 mttt -41.83 -36.6 1.07 Allowed 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.395 1.06 . . . . 70.13 109.294 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -54.62 169.97 0.18 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 61.22 109.998 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -123.43 13.7 9.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 65.12 109.337 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.59 HD11 ' CE1' ' A' ' 109' ' ' TYR . 0.1 OUTLIER -89.11 165.6 25.8 Favored Pre-proline 0 C--N 1.327 -0.402 0 O-C-N 124.469 1.105 . . . . 75.43 109.302 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.608 ' O ' HG21 ' A' ' 68' ' ' ILE . 18.2 Cg_endo -74.99 130.03 12.9 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.547 1.814 . . . . 64.4 110.977 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 22.3 tt0 -61.38 155.44 21.5 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.518 1.136 . . . . 74.43 110.27 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.643 HD13 ' O ' ' A' ' 46' ' ' LYS . 6.7 tt -80.71 158.46 4.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.542 1.151 . . . . 73.53 109.26 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.436 ' N ' HG12 ' A' ' 44' ' ' ILE . 0.9 OUTLIER -66.29 -46.84 75.6 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.528 1.143 . . . . 74.13 109.245 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.643 ' O ' HD13 ' A' ' 44' ' ' ILE . 0.0 OUTLIER -149.47 170.45 18.55 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.448 1.092 . . . . 72.31 109.253 -179.982 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.702 ' HB3' HG22 ' A' ' 32' ' ' ILE . 3.1 mtt180 -114.41 93.72 4.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 73.31 110.379 179.905 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.558 ' HE2' ' CZ ' ' A' ' 5' ' ' PHE . 0.0 OUTLIER -168.81 118.12 0.7 Allowed 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.499 1.124 . . . . 65.41 109.273 179.954 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.698 ' CE2' ' CD1' ' A' ' 64' ' ' ILE . 46.5 m-85 -141.03 122.26 14.79 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.555 1.159 . . . . 72.34 111.047 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.53 ' CD2' ' HA ' ' A' ' 30' ' ' PRO . 6.7 mt -110.26 76.75 1.0 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 74.33 109.302 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.631 HG21 ' HE2' ' A' ' 91' ' ' MET . 31.4 m -81.22 154.36 72.08 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 63.4 109.333 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.462 ' HD3' ' CB ' ' B' ' 630' ' ' ALA . 18.1 Cg_endo -74.96 173.98 13.57 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.394 1.734 . . . . 72.44 110.962 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -86.83 18.04 3.7 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.45 1.094 . . . . 72.45 109.312 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 47.3 m-20 -119.44 -37.89 3.09 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.542 1.151 . . . . 72.41 109.278 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.432 ' HG ' ' CB ' ' A' ' 59' ' ' GLN . 0.5 OUTLIER -58.76 137.02 57.89 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.56 1.163 . . . . 73.35 109.259 -179.949 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.49 HG22 ' CD1' ' A' ' 90' ' ' LEU . 1.4 p -96.83 -175.67 3.35 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.529 1.143 . . . . 33.54 110.413 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.668 ' O ' HG23 ' A' ' 61' ' ' VAL . 2.6 t -70.64 -40.54 77.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.403 1.064 . . . . 60.44 109.26 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -66.5 -32.75 82.6 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.514 1.134 . . . . 73.23 111.026 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.432 ' CB ' ' HG ' ' A' ' 55' ' ' LEU . 8.1 mt-30 -77.51 -24.0 50.15 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 0.748 . . . . 74.53 110.283 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.583 ' CZ ' HD11 ' A' ' 64' ' ' ILE . 36.5 t80 -77.13 -42.59 37.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 73.03 111.048 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.676 HG13 ' CG2' ' A' ' 76' ' ' ILE . 66.6 t -53.26 -34.45 22.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.506 1.129 . . . . 73.01 109.261 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.575 ' CE1' ' HD2' ' A' ' 66' ' ' LYS . 0.7 OUTLIER -57.74 -38.27 75.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 74.54 110.992 -179.97 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.653 HG11 ' HA ' ' B' ' 629' ' ' ILE . 64.3 t -74.72 -44.95 45.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 65.32 109.287 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.698 ' CD1' ' CE2' ' A' ' 49' ' ' TYR . 8.2 mm -60.38 -32.93 52.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.526 1.141 . . . . 74.05 109.334 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.431 ' CD ' ' HB3' ' A' ' 70' ' ' LEU . 5.5 tpp85 -82.32 -10.99 58.88 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.447 1.092 . . . . 63.25 110.286 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.575 ' HD2' ' CE1' ' A' ' 62' ' ' TYR . 4.6 mttp -86.57 -39.49 16.13 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.582 1.176 . . . . 71.45 109.316 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.42 ' NH1' ' OE1' ' B' ' 628' ' ' GLU . 0.8 OUTLIER -59.67 -41.23 90.15 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.507 1.129 . . . . 74.15 110.387 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.608 HG21 ' O ' ' A' ' 42' ' ' PRO . 3.9 pt -99.82 4.25 10.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 74.21 109.31 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.402 ' C ' ' O ' ' A' ' 68' ' ' ILE . 3.5 ptp 37.43 34.53 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 64.34 110.916 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.499 HD12 ' HD2' ' A' ' 71' ' ' PRO . 19.5 tp -51.0 139.24 23.33 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.468 1.105 . . . . 62.43 109.286 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.499 ' HD2' HD12 ' A' ' 70' ' ' LEU . 18.2 Cg_endo -75.1 171.45 18.29 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.531 1.806 . . . . 75.31 110.988 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -14.92 21.14 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.505 1.792 . . . . 73.31 111.047 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -71.45 -18.94 62.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.607 1.192 . . . . 75.11 110.307 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 2.9 mttm -109.54 -179.02 3.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.416 1.073 . . . . 74.24 109.317 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -136.5 -179.45 5.69 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.542 1.151 . . . . 54.01 109.278 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.707 HD11 ' CD1' ' A' ' 109' ' ' TYR . 1.3 tt -165.62 136.08 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.469 1.106 . . . . 71.13 109.298 -179.892 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.635 ' HB3' HD11 ' A' ' 84' ' ' LEU . 89.1 m-85 -135.25 133.01 38.52 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.527 1.142 . . . . 70.23 111.094 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.636 ' CG1' HG22 ' A' ' 61' ' ' VAL . 5.7 mm -84.25 123.54 39.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.42 1.075 . . . . 70.04 109.337 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -112.86 122.19 46.9 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.535 1.147 . . . . 63.12 110.968 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.581 HG11 ' CD2' ' A' ' 98' ' ' HIS . 8.2 p -125.78 108.31 19.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.46 1.1 . . . . 75.21 109.28 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . 0.545 ' ND2' HG22 ' A' ' 80' ' ' VAL . 4.0 m-80 73.27 29.07 1.73 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.466 1.104 . . . . 74.42 109.358 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 70.43 13.56 7.47 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.487 1.117 . . . . 75.13 109.361 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.508 ' O ' ' CG2' ' A' ' 83' ' ' THR . 0.5 OUTLIER -126.47 112.33 15.46 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.452 1.095 . . . . 74.25 110.418 -179.97 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.635 HD11 ' HB3' ' A' ' 77' ' ' PHE . 0.5 OUTLIER -73.34 115.21 38.82 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.59 1.181 . . . . 64.22 109.241 -179.969 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 161.06 39.44 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.447 1.761 . . . . 73.14 111.022 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . 0.713 ' HD2' ' HB2' ' A' ' 89' ' ' ALA . 18.4 Cg_endo -75.08 -179.79 5.35 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.486 1.782 . . . . 70.44 110.995 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 2.7 p -82.16 -35.05 28.8 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.438 1.086 . . . . 62.41 110.443 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -80.97 6.02 14.6 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.533 1.146 . . . . 71.44 109.302 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 1.095 ' HB1' HD11 ' A' ' 94' ' ' ILE . . . -76.34 62.66 1.84 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 73.43 109.263 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.559 ' C ' ' O ' ' A' ' 89' ' ' ALA . 0.6 OUTLIER -26.73 114.89 0.06 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.556 1.16 . . . . 71.21 109.309 179.963 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . 0.631 ' HE2' HG21 ' A' ' 51' ' ' VAL . 48.7 mmm -40.28 -27.77 0.05 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.57 1.169 . . . . 71.21 110.984 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . 0.419 ' N ' ' O ' ' A' ' 90' ' ' LEU . 0.4 OUTLIER -66.64 -52.08 48.96 Favored 'General case' 0 C--N 1.323 -0.563 0 O-C-N 124.543 1.152 . . . . 61.22 109.962 -179.907 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.407 ' N ' ' O ' ' A' ' 90' ' ' LEU . . . -69.99 -8.27 47.69 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.56 1.163 . . . . 70.44 109.307 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 1.095 HD11 ' HB1' ' A' ' 89' ' ' ALA . 36.8 mm -92.44 -42.41 13.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.105 . . . . 61.53 109.297 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . 0.679 ' CB ' HG23 ' A' ' 29' ' ' ILE . 4.0 t80 -76.58 -4.54 43.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.115 . . . . 52.14 110.989 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . 0.442 ' O ' ' CG ' ' A' ' 96' ' ' GLN . 22.8 tp60 -104.26 -10.3 17.96 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.547 1.155 . . . . 73.33 110.242 -179.906 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -121.22 -5.89 9.42 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.486 1.116 . . . . 70.13 110.287 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . 0.71 ' HB2' HD11 ' A' ' 105' ' ' LEU . 8.8 m-70 -123.46 11.98 9.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.657 1.223 . . . . 62.03 109.606 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.482 ' HB3' ' O ' ' A' ' 95' ' ' TYR . 0.1 OUTLIER -67.09 155.45 38.68 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.537 1.148 . . . . 60.42 109.317 179.959 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . 0.422 ' O ' ' N ' ' A' ' 103' ' ' GLY . 1.3 t70 -130.63 178.21 6.8 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.425 1.078 . . . . 64.51 109.28 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 29.8 mtmm -47.06 -53.87 11.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.584 1.177 . . . . 74.24 109.265 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -61.62 -26.16 67.82 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.485 1.115 . . . . 52.35 109.312 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . 0.422 ' N ' ' O ' ' A' ' 100' ' ' ASP . . . 93.88 -39.39 2.94 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.519 1.137 . . . . 42.14 110.976 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . 0.553 ' O ' ' CE2' ' A' ' 106' ' ' TYR . 12.6 m-85 -57.36 122.18 11.96 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.499 0.764 . . . . 73.23 111.003 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.857 ' HB3' HG23 ' A' ' 31' ' ' VAL . 0.2 OUTLIER -61.75 163.48 7.32 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.435 1.084 . . . . 74.42 109.268 -179.95 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . 0.553 ' CE2' ' O ' ' A' ' 104' ' ' PHE . 81.5 m-85 -145.64 115.33 7.27 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.56 1.163 . . . . 64.4 110.983 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.711 HG23 ' N ' ' A' ' 108' ' ' THR . 1.4 m -122.42 -178.29 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.455 1.097 . . . . 71.32 109.316 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . 0.711 ' N ' HG23 ' A' ' 107' ' ' VAL . 1.2 m -153.22 106.12 2.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 74.21 110.372 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' TYR . . . . . 0.707 ' CD1' HD11 ' A' ' 76' ' ' ILE . 11.4 p90 -94.87 122.9 37.98 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.478 1.112 . . . . 63.54 110.974 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . 0.458 ' HB2' ' HB3' ' A' ' 36' ' ' ALA . 15.2 t -134.46 155.14 50.87 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.538 1.149 . . . . 73.5 109.998 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -58.78 -40.64 95.28 Favored Glycine 0 CA--C 1.528 0.9 0 O-C-N 124.415 1.072 . . . . 54.34 110.935 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 25.9 pm0 -94.26 151.89 19.1 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.454 0.738 . . . . 65.25 110.326 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 60.2 t-20 -93.56 38.62 1.06 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 71.13 109.328 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . 0.707 HG22 ' H ' ' A' ' 115' ' ' PHE . 7.0 m -155.84 -174.59 5.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.146 . . . . 73.22 110.41 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . 0.707 ' H ' HG22 ' A' ' 114' ' ' THR . 4.0 p90 -115.18 98.25 6.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.146 . . . . 74.33 110.996 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.921 0 O-C-N 124.574 1.171 . . . . 63.52 111.047 -179.959 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 597' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.029 0 N-CA-C 110.964 -0.854 . . . . 75.34 110.964 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 598' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -172.44 1.25 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.477 1.778 . . . . 62.55 110.987 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 599' ' ' HIS . . . . . . . . . . . . . 5.5 m170 -80.8 155.36 26.68 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.516 1.135 . . . . 61.33 109.618 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 600' ' ' MET . . . . . 0.416 ' HG2' ' N ' ' B' ' 601' ' ' ILE . 4.6 ttt -41.07 159.06 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.541 1.151 . . . . 71.31 111.005 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 601' ' ' ILE . . . . . 0.536 HG22 ' H ' ' B' ' 602' ' ' SER . 5.1 mm -134.25 171.04 18.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 72.44 109.314 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 602' ' ' SER . . . . . 0.536 ' H ' HG22 ' B' ' 601' ' ' ILE . 1.1 t -45.19 169.43 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 55.44 110.01 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 603' ' ' GLY . . . . . . . . . . . . . . . -70.51 125.88 14.57 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.536 1.148 . . . . 71.31 111.069 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 604' ' ' LEU . . . . . . . . . . . . . 6.1 tp -119.46 149.92 41.07 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.47 0.747 . . . . 63.33 109.303 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 605' ' ' SER . . . . . . . . . . . . . 15.0 p -86.39 119.35 26.57 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.415 1.072 . . . . 73.05 109.973 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 606' ' ' VAL . . . . . 0.582 HG22 ' H ' ' B' ' 607' ' ' ILE . 7.3 p -104.64 173.12 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.515 1.135 . . . . 74.11 109.315 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 607' ' ' ILE . . . . . 0.582 ' H ' HG22 ' B' ' 606' ' ' VAL . 14.2 mm -84.59 152.07 3.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.551 1.157 . . . . 71.45 109.308 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 608' ' ' LYS . . . . . . . . . . . . . 8.9 pttm -105.99 -19.54 13.7 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.522 1.139 . . . . 71.52 109.312 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 609' ' ' GLN . . . . . 0.452 ' CG ' ' HD3' ' A' ' 10' ' ' PRO . 82.4 mm-40 -49.4 178.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 75.51 110.203 -179.904 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 610' ' ' GLU . . . . . . . . . . . . . 24.8 mm-40 -98.19 172.83 7.33 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.443 1.09 . . . . 74.31 110.295 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 611' ' ' VAL . . . . . 0.728 HG13 ' OE1' ' A' ' 8' ' ' GLU . 50.4 t -130.59 133.1 64.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 74.53 109.343 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 612' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -115.46 -62.6 1.57 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.464 1.102 . . . . 72.22 110.325 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 613' ' ' ARG . . . . . 0.418 ' HB3' ' NH1' ' B' ' 613' ' ' ARG . 4.9 ptp180 -120.04 -30.27 4.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.42 1.075 . . . . 71.31 110.24 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 614' ' ' LEU . . . . . 0.83 HD12 ' CB ' ' A' ' 8' ' ' GLU . 2.9 mt -86.49 -157.38 0.35 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.462 1.101 . . . . 75.01 109.334 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 615' ' ' GLY . . . . . 0.408 ' CA ' ' OE2' ' B' ' 620' ' ' GLU . . . -171.18 -102.38 0.16 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.445 1.091 . . . . 55.23 110.941 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 616' ' ' ASN . . . . . . . . . . . . . 11.5 t30 -81.9 -79.65 0.17 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.405 0.709 . . . . 73.32 109.29 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 617' ' ' ASP . . . . . 0.4 ' O ' ' C ' ' B' ' 618' ' ' VAL . 48.1 m-20 -71.64 133.43 45.69 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.15 . . . . 64.21 109.316 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 618' ' ' VAL . . . . . 0.999 HG12 ' CZ ' ' A' ' 9' ' ' TYR . 0.2 OUTLIER -40.13 -38.84 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 73.24 109.339 -179.961 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 619' ' ' PHE . . . . . 0.529 ' O ' ' CG ' ' B' ' 620' ' ' GLU . 4.7 m-30 -82.76 -84.48 0.12 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.55 1.156 . . . . 72.23 111.009 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 620' ' ' GLU . . . . . 0.529 ' CG ' ' O ' ' B' ' 619' ' ' PHE . 5.6 pt-20 49.88 20.95 0.62 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.542 1.151 . . . . 53.42 110.324 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 621' ' ' TRP . . . . . 0.643 ' CD1' ' O ' ' B' ' 622' ' ' GLU . 0.6 OUTLIER -138.87 168.5 19.68 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 108.079 -1.082 . . . . 73.32 108.079 179.924 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 622' ' ' GLU . . . . . 0.643 ' O ' ' CD1' ' B' ' 621' ' ' TRP . 5.4 pm0 -53.35 -162.64 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.444 1.09 . . . . 64.15 110.299 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 623' ' ' ASP . . . . . 0.419 ' C ' ' O ' ' B' ' 622' ' ' GLU . 2.3 m-20 38.89 55.28 2.03 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.424 1.077 . . . . 72.32 109.266 -179.924 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 624' ' ' ASP . . . . . 0.447 ' OD2' ' N ' ' B' ' 625' ' ' GLU . 2.2 t70 -59.54 -78.6 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.548 1.155 . . . . 63.21 109.275 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 625' ' ' GLU . . . . . 0.465 ' O ' ' C ' ' B' ' 626' ' ' SER . 1.4 pp20? -112.35 -7.0 14.0 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.465 1.103 . . . . 75.1 110.282 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 626' ' ' SER . . . . . 0.465 ' C ' ' O ' ' B' ' 625' ' ' GLU . 41.0 t -33.85 148.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 72.44 110.017 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 627' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -83.19 8.35 13.48 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.474 1.109 . . . . 61.45 109.379 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 628' ' ' GLU . . . . . 0.42 ' OE1' ' NH1' ' A' ' 67' ' ' ARG . 0.0 OUTLIER -56.4 -31.08 63.52 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.475 1.11 . . . . 70.04 110.371 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 629' ' ' ILE . . . . . 0.653 ' HA ' HG11 ' A' ' 63' ' ' VAL . 0.8 OUTLIER -93.33 21.81 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.431 1.082 . . . . 61.41 109.27 179.955 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 630' ' ' ALA . . . . . 0.574 ' HB2' HG12 ' A' ' 51' ' ' VAL . . . . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 73.25 109.311 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 0' ' ' HIS . . . . . . . . . . . . . 1.9 p80 . . . . . 0 N--CA 1.454 -0.251 0 N-CA-C 109.602 -0.518 . . . . 72.51 109.602 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.9 ptp -108.55 -173.5 2.29 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.513 1.133 . . . . 71.22 110.976 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 6.1 mtmm -137.14 -47.92 0.59 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.576 1.173 . . . . 64.1 109.152 -179.878 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 95.4 p -75.56 135.68 40.57 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.478 1.111 . . . . 61.21 110.057 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 2.1 p -127.49 -79.52 0.59 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 74.44 110.391 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.609 ' CZ ' ' OH ' ' A' ' 9' ' ' TYR . 20.2 t80 -62.67 -12.7 25.09 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 75.11 110.997 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 12.0 tttt -100.48 -13.8 18.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.566 1.166 . . . . 72.11 109.302 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 28.8 t -103.63 5.29 36.37 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.528 1.143 . . . . 63.35 110.039 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.598 ' OE1' HG22 ' B' ' 611' ' ' VAL . 18.9 tp10 -84.13 -18.4 36.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.412 1.07 . . . . 75.05 110.232 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.609 ' OH ' ' CZ ' ' A' ' 5' ' ' PHE . 0.3 OUTLIER -159.26 171.33 7.51 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.565 1.166 . . . . 62.13 110.976 179.986 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.435 ' N ' ' HG2' ' B' ' 609' ' ' GLN . 18.2 Cg_endo -75.01 -177.17 3.28 Favored 'Trans proline' 0 C--N 1.361 1.232 0 O-C-N 124.421 1.748 . . . . 44.44 111.033 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.53 ' HA ' ' CD ' ' A' ' 14' ' ' ARG . 1.0 OUTLIER -73.27 -22.85 60.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.41 1.069 . . . . 73.12 110.987 -179.95 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.48 ' HA ' ' CD ' ' A' ' 15' ' ' LYS . 40.4 mt-10 -75.57 -4.09 37.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.57 1.169 . . . . 72.25 110.351 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.542 ' HA ' ' HZ3' ' A' ' 13' ' ' LYS . 0.1 OUTLIER -86.17 -64.66 1.12 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.411 1.069 . . . . 72.31 109.29 -179.971 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.53 ' CD ' ' HA ' ' A' ' 11' ' ' PHE . 0.0 OUTLIER -57.83 -25.35 60.52 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.546 1.154 . . . . 72.4 110.348 179.97 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.48 ' CD ' ' HA ' ' A' ' 12' ' ' GLU . 34.0 pttt -76.55 -40.3 50.21 Favored 'General case' 0 C--N 1.323 -0.566 0 O-C-N 124.512 1.132 . . . . 63.02 109.27 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -74.81 -27.92 60.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.57 1.169 . . . . 52.13 109.352 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 36.7 tp10 -71.7 -42.59 67.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 64.25 110.261 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.52 ' HB3' ' CD1' ' A' ' 104' ' ' PHE . 60.2 p -73.58 -8.61 56.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.148 . . . . 73.4 110.027 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -81.45 -28.41 34.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 72.31 110.285 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 23.0 ptt180 -101.81 -29.8 11.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.412 1.07 . . . . 74.03 110.275 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 6.7 mt -62.34 -20.89 25.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.112 . . . . 70.13 109.251 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -71.98 -20.11 61.78 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.486 1.116 . . . . 53.32 109.263 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -101.74 -36.56 8.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.585 1.178 . . . . 74.04 109.297 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.506 ' HB3' ' CD2' ' A' ' 25' ' ' PHE . 0.2 OUTLIER -71.01 -53.1 15.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.459 1.099 . . . . 72.2 110.224 -179.929 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.506 ' CD2' ' HB3' ' A' ' 24' ' ' ARG . 4.7 m-85 -136.32 81.84 36.28 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.477 1.111 . . . . 64.32 110.995 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 -8.18 19.91 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.392 1.733 . . . . 74.2 110.91 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 7.5 p30 -107.42 27.29 9.25 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.421 1.075 . . . . 72.44 109.285 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.53 ' HB3' HD11 ' A' ' 50' ' ' LEU . 19.8 mmt-85 -113.85 178.1 4.4 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.477 1.111 . . . . 75.13 110.232 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.574 HG23 ' CB ' ' A' ' 95' ' ' TYR . 37.4 mm -147.64 93.02 4.65 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.351 1.032 . . . . 73.21 109.292 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.584 ' HD2' ' CE2' ' A' ' 95' ' ' TYR . 18.4 Cg_endo -75.04 119.72 5.76 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.554 1.818 . . . . 64.02 110.982 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.814 HG23 ' HB3' ' A' ' 105' ' ' LEU . 3.8 p -137.6 148.5 25.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.456 1.097 . . . . 75.34 109.39 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.554 HG23 ' O ' ' A' ' 47' ' ' ARG . 40.4 mm -113.1 105.53 18.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.142 . . . . 65.24 109.263 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.45 ' HB3' ' CE1' ' A' ' 49' ' ' TYR . 2.6 t -93.31 128.01 39.15 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.482 1.114 . . . . 43.2 108.3 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.458 ' O ' ' CD1' ' A' ' 109' ' ' TYR . 5.8 tp10 -125.77 166.04 17.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 74.13 110.308 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.569 ' HG2' ' CE2' ' A' ' 109' ' ' TYR . 0.0 OUTLIER -103.99 127.61 51.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.567 1.167 . . . . 74.11 109.292 179.957 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.419 ' N ' ' HD2' ' A' ' 35' ' ' LYS . . . -70.91 138.42 50.1 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.57 1.169 . . . . 61.54 109.274 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.453 ' CG ' ' N ' ' A' ' 38' ' ' LYS . 11.7 pt-20 -62.08 -49.28 76.57 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.537 1.148 . . . . 72.1 110.352 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.453 ' N ' ' CG ' ' A' ' 37' ' ' GLU . 0.1 OUTLIER -44.92 -50.93 10.21 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.543 1.152 . . . . 70.13 109.274 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -42.69 164.03 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.549 1.155 . . . . 61.22 110.039 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 68.3 m-20 -117.54 1.62 12.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.412 1.07 . . . . 65.12 109.313 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.601 HD11 ' CE2' ' A' ' 109' ' ' TYR . 0.1 OUTLIER -75.26 166.2 47.39 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.137 . . . . 75.43 109.35 179.916 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.433 ' O ' HG21 ' A' ' 68' ' ' ILE . 18.3 Cg_endo -75.0 127.82 10.99 Favored 'Trans proline' 0 C--N 1.358 1.077 0 O-C-N 124.528 1.804 . . . . 64.4 110.942 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 7.7 tt0 -62.4 156.37 22.78 Favored 'General case' 0 C--N 1.327 -0.404 0 O-C-N 124.415 1.072 . . . . 74.43 110.301 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.496 HD12 ' OH ' ' A' ' 49' ' ' TYR . 16.5 tt -85.4 157.94 3.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.563 1.164 . . . . 73.53 109.284 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -62.22 -48.41 80.12 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.559 1.162 . . . . 74.13 109.263 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -143.3 165.49 27.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.566 1.166 . . . . 72.31 109.266 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.554 ' O ' HG23 ' A' ' 32' ' ' ILE . 3.5 ptm180 -111.46 94.88 5.19 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.636 1.21 . . . . 73.31 110.361 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.546 ' HD3' ' CE1' ' A' ' 5' ' ' PHE . 15.0 tptp -166.65 127.89 1.7 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 65.41 109.303 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.698 ' CE2' ' CD1' ' A' ' 64' ' ' ILE . 44.8 m-85 -149.43 104.14 3.35 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.465 1.103 . . . . 72.34 110.996 -179.899 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.53 HD11 ' HB3' ' A' ' 28' ' ' ARG . 17.9 tp -98.6 77.26 2.28 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.504 1.127 . . . . 74.33 109.318 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 1.027 HG12 ' HB2' ' B' ' 630' ' ' ALA . 30.2 m -82.35 157.7 67.49 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.463 1.102 . . . . 63.4 109.245 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.06 176.76 9.51 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.477 1.777 . . . . 72.44 110.977 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -89.65 18.31 5.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 72.45 109.281 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -117.42 -38.05 3.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.449 1.093 . . . . 72.41 109.361 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.444 HD21 ' HA ' ' A' ' 60' ' ' PHE . 0.4 OUTLIER -56.43 135.58 54.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 73.35 109.276 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 1.074 HG22 ' CD2' ' A' ' 90' ' ' LEU . 10.6 p -95.18 169.67 9.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 33.54 110.406 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.418 ' HB ' ' O ' ' A' ' 86' ' ' PRO . 2.4 t -59.83 -47.85 89.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 60.44 109.296 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -61.27 -30.96 75.41 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.442 1.089 . . . . 73.23 110.982 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 9.2 mt-30 -82.35 -21.12 36.11 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.519 0.776 . . . . 74.53 110.272 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.444 ' HA ' HD21 ' A' ' 55' ' ' LEU . 20.7 t80 -76.14 -41.98 48.29 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.501 1.126 . . . . 73.03 110.952 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.864 HG13 ' CG2' ' A' ' 76' ' ' ILE . 48.0 t -51.53 -38.05 20.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 73.01 109.311 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.522 ' CZ ' ' HE2' ' A' ' 66' ' ' LYS . 0.7 OUTLIER -55.19 -38.85 68.89 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.536 1.148 . . . . 74.54 110.956 -179.977 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.746 HG21 ' HA ' ' B' ' 630' ' ' ALA . 64.1 t -65.0 -38.14 82.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.123 . . . . 65.32 109.312 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.698 ' CD1' ' CE2' ' A' ' 49' ' ' TYR . 6.4 mm -69.04 -39.8 80.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.123 . . . . 74.05 109.361 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.458 ' CD ' ' HB3' ' A' ' 70' ' ' LEU . 5.9 tpp85 -72.84 -3.78 27.65 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.424 1.077 . . . . 63.25 110.387 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.522 ' HE2' ' CZ ' ' A' ' 62' ' ' TYR . 0.7 OUTLIER -94.14 -42.73 8.83 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.395 1.059 . . . . 71.45 109.25 -179.91 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -60.55 -36.95 79.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.582 1.176 . . . . 74.15 110.297 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.545 HD11 ' CD1' ' A' ' 76' ' ' ILE . 2.7 pt -105.57 4.03 10.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.557 1.161 . . . . 74.21 109.348 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.405 ' C ' ' O ' ' A' ' 68' ' ' ILE . 4.9 ptp 37.47 33.55 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.142 . . . . 64.34 111.006 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.489 HD22 HD12 ' A' ' 68' ' ' ILE . 5.4 tp -54.24 140.48 53.96 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 62.43 109.288 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.95 170.93 19.31 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.57 1.826 . . . . 75.31 111.026 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 -2.15 12.16 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.554 1.818 . . . . 73.31 111.051 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -87.96 2.13 52.44 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.504 1.128 . . . . 75.11 110.311 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 11.1 mttm -121.38 -179.09 3.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 74.24 109.284 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -141.67 149.61 40.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 54.01 109.272 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.864 ' CG2' HG13 ' A' ' 61' ' ' VAL . 2.6 tt -141.83 124.91 15.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.576 1.173 . . . . 71.13 109.326 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.831 ' HB3' HD21 ' A' ' 84' ' ' LEU . 99.0 m-85 -119.87 134.32 55.28 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.553 1.158 . . . . 70.23 111.013 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.658 ' CG2' HG21 ' A' ' 107' ' ' VAL . 3.2 mm -86.85 114.22 25.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 70.04 109.347 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -104.47 118.74 37.35 Favored 'General case' 0 C--N 1.323 -0.556 0 O-C-N 124.6 1.188 . . . . 63.12 110.974 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.928 HG22 ' ND2' ' A' ' 81' ' ' ASN . 1.7 p -125.9 105.22 14.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.409 1.068 . . . . 75.21 109.312 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . 0.928 ' ND2' HG22 ' A' ' 80' ' ' VAL . 3.3 m-20 74.71 31.87 0.91 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.458 1.099 . . . . 74.42 109.297 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 69.43 13.16 8.4 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.494 1.121 . . . . 75.13 109.285 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.67 HG22 ' O ' ' A' ' 80' ' ' VAL . 0.6 OUTLIER -119.5 141.58 49.06 Favored 'General case' 0 C--N 1.327 -0.408 0 O-C-N 124.526 1.141 . . . . 74.25 110.387 179.951 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.831 HD21 ' HB3' ' A' ' 77' ' ' PHE . 1.3 mt -103.59 110.33 63.66 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 64.22 109.25 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.12 156.83 42.51 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.52 1.8 . . . . 73.14 111.029 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . 0.68 ' HD2' ' HB2' ' A' ' 89' ' ' ALA . 18.3 Cg_endo -75.0 175.59 11.04 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.491 1.785 . . . . 70.44 110.99 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 20.8 p -77.43 -35.36 54.14 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.478 1.111 . . . . 62.41 110.371 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -77.19 1.48 18.27 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.542 1.152 . . . . 71.44 109.306 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.915 ' HB1' HD11 ' A' ' 94' ' ' ILE . . . -75.92 61.21 1.45 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 73.43 109.31 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 1.074 ' CD2' HG22 ' A' ' 56' ' ' THR . 20.8 mt -27.65 118.79 0.1 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.55 1.156 . . . . 71.21 109.273 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . 0.589 ' HE2' HG21 ' A' ' 51' ' ' VAL . 48.7 mmm -39.68 -28.01 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.148 . . . . 71.21 111.004 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . 0.437 ' N ' ' O ' ' A' ' 90' ' ' LEU . 18.0 t -65.56 -49.28 69.47 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.464 1.102 . . . . 61.22 110.015 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.458 ' N ' ' O ' ' A' ' 90' ' ' LEU . . . -73.21 -8.3 55.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 70.44 109.286 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.915 HD11 ' HB1' ' A' ' 89' ' ' ALA . 13.2 mm -88.18 -52.1 11.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.128 . . . . 61.53 109.217 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . 0.75 ' CD2' HD23 ' A' ' 105' ' ' LEU . 5.2 t80 -69.28 -6.33 28.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.552 1.157 . . . . 52.14 110.952 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . 0.435 ' O ' ' CG ' ' A' ' 96' ' ' GLN . 3.7 tt0 -102.82 -11.68 18.13 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.496 1.122 . . . . 73.33 110.321 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -113.59 -18.24 11.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 70.13 110.3 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . 0.516 ' HD2' HG23 ' A' ' 94' ' ' ILE . 60.0 m-70 -119.65 19.15 12.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 62.03 109.572 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.512 ' HB3' ' O ' ' A' ' 95' ' ' TYR . 0.1 OUTLIER -58.75 158.11 8.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.117 . . . . 60.42 109.316 179.928 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . 0.436 ' O ' ' N ' ' A' ' 103' ' ' GLY . 0.3 OUTLIER -127.76 170.57 12.6 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.424 1.078 . . . . 64.51 109.303 179.933 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 30.9 mtmt -42.75 -65.68 0.45 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 74.24 109.292 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -52.81 -28.45 22.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.444 1.09 . . . . 52.35 109.359 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . 0.436 ' N ' ' O ' ' A' ' 100' ' ' ASP . . . 104.98 -38.6 3.21 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.588 1.18 . . . . 42.14 110.934 179.882 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . 0.52 ' CD1' ' HB3' ' A' ' 18' ' ' SER . 2.9 m-85 -54.96 144.68 22.38 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.517 0.775 . . . . 73.23 111.048 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.814 ' HB3' HG23 ' A' ' 31' ' ' VAL . 0.2 OUTLIER -85.89 155.34 20.98 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.568 1.167 . . . . 74.42 109.248 -179.961 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . 0.515 ' OH ' ' CZ ' ' A' ' 14' ' ' ARG . 59.9 m-85 -146.21 109.13 4.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.55 1.156 . . . . 64.4 111.017 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.727 HG23 ' N ' ' A' ' 108' ' ' THR . 1.3 m -119.54 -176.35 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.11 . . . . 71.32 109.295 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . 0.727 ' N ' HG23 ' A' ' 107' ' ' VAL . 1.2 m -153.28 113.52 3.97 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.552 1.157 . . . . 74.21 110.337 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' TYR . . . . . 0.767 ' CD2' HD11 ' A' ' 76' ' ' ILE . 29.9 p90 -94.41 131.73 39.78 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.465 1.103 . . . . 63.54 111.008 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . 0.416 ' HB3' ' HB3' ' A' ' 36' ' ' ALA . 0.1 OUTLIER -132.6 166.5 21.97 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.431 1.082 . . . . 73.5 109.981 179.974 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . 0.445 ' HA3' ' CG2' ' A' ' 41' ' ' ILE . . . -83.95 2.94 86.96 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.581 1.176 . . . . 54.34 111.024 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -121.39 156.03 33.53 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.436 0.727 . . . . 65.25 110.35 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . 0.552 ' ND2' HD13 ' A' ' 84' ' ' LEU . 16.2 t-20 -103.42 -1.22 28.9 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.562 1.164 . . . . 71.13 109.241 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . 0.536 HG22 ' H ' ' A' ' 115' ' ' PHE . 4.2 m -93.59 178.5 5.68 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.509 1.131 . . . . 73.22 110.446 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . 0.536 ' H ' HG22 ' A' ' 114' ' ' THR . 1.3 p90 -125.55 97.91 5.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 74.33 111.0 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.051 0 O-C-N 124.44 1.087 . . . . 63.52 110.997 179.957 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 597' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.973 0 N-CA-C 110.978 -0.849 . . . . 75.34 110.978 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 598' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 151.31 39.6 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.46 1.769 . . . . 62.55 111.018 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 599' ' ' HIS . . . . . . . . . . . . . 53.9 p-80 -149.54 160.32 43.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.423 1.077 . . . . 61.33 109.541 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 600' ' ' MET . . . . . . . . . . . . . 1.9 ptt? -144.06 138.29 28.19 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.51 1.131 . . . . 71.31 111.063 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 601' ' ' ILE . . . . . 0.422 HG22 ' N ' ' B' ' 602' ' ' SER . 23.9 mm -142.41 161.57 19.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.54 1.15 . . . . 72.44 109.298 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 602' ' ' SER . . . . . 0.422 ' N ' HG22 ' B' ' 601' ' ' ILE . 1.8 m -155.99 167.91 28.91 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.461 1.101 . . . . 55.44 109.997 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 603' ' ' GLY . . . . . . . . . . . . . . . -130.16 56.62 0.74 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.472 1.107 . . . . 71.31 110.957 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 604' ' ' LEU . . . . . . . . . . . . . 1.2 pt? -134.63 -173.98 3.45 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.55 0.794 . . . . 63.33 109.349 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 605' ' ' SER . . . . . 0.422 ' O ' HG23 ' B' ' 606' ' ' VAL . 2.2 m -76.42 62.09 1.8 Allowed 'General case' 0 C--N 1.323 -0.565 0 O-C-N 124.46 1.1 . . . . 73.05 110.09 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 606' ' ' VAL . . . . . 0.465 HG12 ' O ' ' B' ' 607' ' ' ILE . 36.7 t -152.36 156.47 5.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 74.11 109.28 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 607' ' ' ILE . . . . . 0.703 HG22 ' H ' ' B' ' 608' ' ' LYS . 0.7 OUTLIER -96.3 179.1 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.427 1.08 . . . . 71.45 109.22 -179.923 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 608' ' ' LYS . . . . . 0.703 ' H ' HG22 ' B' ' 607' ' ' ILE . 0.0 OUTLIER -129.84 103.68 6.95 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.394 1.059 . . . . 71.52 109.279 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 609' ' ' GLN . . . . . 0.435 ' HG2' ' N ' ' A' ' 10' ' ' PRO . 1.9 mp0 -114.85 121.9 44.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.585 1.178 . . . . 75.51 110.303 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 610' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -64.29 173.36 2.05 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.554 1.159 . . . . 74.31 110.324 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 611' ' ' VAL . . . . . 0.598 HG22 ' OE1' ' A' ' 8' ' ' GLU . 41.8 t -133.56 133.61 57.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.451 1.094 . . . . 74.53 109.36 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 612' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -113.67 -93.58 0.47 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.579 1.174 . . . . 72.22 110.29 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 613' ' ' ARG . . . . . 0.756 ' HG2' HD23 ' B' ' 614' ' ' LEU . 12.7 ptp180 -115.05 -32.26 5.78 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.481 1.113 . . . . 71.31 110.287 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 614' ' ' LEU . . . . . 0.864 HD22 ' CZ3' ' B' ' 621' ' ' TRP . 0.4 OUTLIER -101.25 -171.79 2.05 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.622 1.202 . . . . 75.01 109.344 179.932 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 615' ' ' GLY . . . . . 0.461 ' HA2' ' CG ' ' A' ' 8' ' ' GLU . . . 162.38 -69.04 0.23 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.484 1.115 . . . . 55.23 111.046 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 616' ' ' ASN . . . . . 0.411 ' N ' ' OD1' ' B' ' 616' ' ' ASN . 7.1 p-10 -40.39 -50.95 2.86 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.5 0.765 . . . . 73.32 109.306 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 617' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -145.79 172.11 13.8 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.48 1.113 . . . . 64.21 109.35 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 618' ' ' VAL . . . . . 0.515 HG12 ' CZ ' ' A' ' 5' ' ' PHE . 3.6 m -66.39 -34.67 71.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.552 1.158 . . . . 73.24 109.304 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 619' ' ' PHE . . . . . 0.497 ' HZ ' ' HZ2' ' A' ' 48' ' ' LYS . 17.0 m-30 -117.2 86.59 2.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 72.23 111.042 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 620' ' ' GLU . . . . . . . . . . . . . 2.4 pp20? -118.87 -6.96 10.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 53.42 110.333 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 621' ' ' TRP . . . . . 0.864 ' CZ3' HD22 ' B' ' 614' ' ' LEU . 2.8 p90 -108.85 164.92 11.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.556 1.16 . . . . 73.32 108.02 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 622' ' ' GLU . . . . . 0.569 ' O ' ' CD1' ' B' ' 621' ' ' TRP . 20.3 tp10 -42.0 157.73 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.458 1.099 . . . . 64.15 110.279 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 623' ' ' ASP . . . . . 0.413 ' N ' ' HG3' ' B' ' 622' ' ' GLU . 11.5 m-20 61.1 61.62 1.56 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.553 1.158 . . . . 72.32 109.374 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 624' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -56.4 -79.5 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 63.21 109.28 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 625' ' ' GLU . . . . . 0.405 ' O ' ' C ' ' B' ' 626' ' ' SER . 4.0 pt-20 -98.24 7.52 46.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.42 1.075 . . . . 75.1 110.307 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 626' ' ' SER . . . . . 0.405 ' C ' ' O ' ' B' ' 625' ' ' GLU . 0.7 OUTLIER -37.8 154.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.426 1.079 . . . . 72.44 110.079 179.952 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 627' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -89.06 15.7 8.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.113 . . . . 61.45 109.303 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 628' ' ' GLU . . . . . 0.419 ' O ' HG13 ' A' ' 63' ' ' VAL . 13.6 pt-20 -60.34 -28.06 67.86 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.511 1.132 . . . . 70.04 110.258 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 629' ' ' ILE . . . . . 0.607 ' C ' HG11 ' A' ' 63' ' ' VAL . 0.8 OUTLIER -94.65 14.26 2.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 O-C-N 124.577 1.173 . . . . 61.41 109.312 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 630' ' ' ALA . . . . . 1.027 ' HB2' HG12 ' A' ' 51' ' ' VAL . . . . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.402 1.064 . . . . 73.25 109.357 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 0' ' ' HIS . . . . . . . . . . . . . 89.1 m-70 . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 109.516 -0.55 . . . . 72.51 109.516 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.7 ptp -152.85 -176.81 5.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.599 1.187 . . . . 71.22 111.002 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 3.4 mtpm? -132.42 -46.22 0.9 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.527 1.142 . . . . 64.1 109.304 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.431 ' HA ' ' NH1' ' A' ' 47' ' ' ARG . 96.3 p -80.95 137.37 36.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.424 1.077 . . . . 61.21 109.91 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.453 ' OG1' ' N ' ' A' ' 5' ' ' PHE . 71.0 p -120.03 -75.33 0.59 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.563 1.165 . . . . 74.44 110.394 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.603 ' CE1' ' OH ' ' A' ' 9' ' ' TYR . 8.5 t80 -60.85 -16.63 43.45 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.55 1.156 . . . . 75.11 110.993 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.427 ' CB ' ' HD3' ' A' ' 47' ' ' ARG . 27.8 ttpp -96.77 -24.47 15.92 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.532 1.145 . . . . 72.11 109.286 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 1.8 t -97.68 3.62 50.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 63.35 109.941 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.409 ' OE2' ' HA ' ' A' ' 8' ' ' GLU . 1.6 mm-40 -78.01 -10.69 59.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.148 . . . . 75.05 110.282 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.831 ' CE2' HG12 ' B' ' 618' ' ' VAL . 0.8 OUTLIER -170.12 167.68 4.71 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.495 1.122 . . . . 62.13 111.005 -179.985 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 172.14 16.93 Favored 'Trans proline' 0 C--N 1.361 1.237 0 O-C-N 124.444 1.76 . . . . 44.44 111.009 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.577 ' CE2' ' HB3' ' A' ' 102' ' ' ASP . 0.9 OUTLIER -63.15 -44.02 96.68 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.466 1.104 . . . . 73.12 110.986 179.953 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.424 ' HA ' ' CD ' ' A' ' 15' ' ' LYS . 38.5 mt-10 -58.84 -15.27 11.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 72.25 110.24 -179.905 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 9.5 tppt? -94.75 -52.72 4.15 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.44 1.087 . . . . 72.31 109.357 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.477 ' HD3' ' CB ' ' A' ' 104' ' ' PHE . 1.7 tmm_? -63.61 -19.72 65.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 72.4 110.26 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.566 ' HD3' ' CE1' ' A' ' 11' ' ' PHE . 48.0 pttt -77.06 -43.96 32.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.456 1.097 . . . . 63.02 109.297 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -71.16 -13.52 61.97 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.577 1.173 . . . . 52.13 109.333 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 39.1 tp10 -76.69 -41.06 46.8 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.439 1.087 . . . . 64.25 110.334 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.447 ' HB3' ' CD2' ' A' ' 104' ' ' PHE . 0.6 OUTLIER -76.58 -17.99 58.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 73.4 109.982 179.976 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 20.5 mm-40 -65.41 -58.03 6.86 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.593 1.183 . . . . 72.31 110.337 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 3.8 ptt180 -63.65 -26.28 68.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 74.03 110.305 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 5.6 mt -65.82 -24.32 34.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.104 . . . . 70.13 109.232 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -71.5 -27.51 63.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 53.32 109.218 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 39.1 t0 -88.37 -48.79 7.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 74.04 109.329 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.507 ' HB3' ' CD2' ' A' ' 25' ' ' PHE . 1.8 ttp85 -61.23 -44.27 97.54 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.467 1.104 . . . . 72.2 110.302 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.507 ' CD2' ' HB3' ' A' ' 24' ' ' ARG . 9.5 m-85 -142.73 88.29 8.64 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.445 1.091 . . . . 64.32 111.051 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 -25.75 11.68 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.483 1.781 . . . . 74.2 111.066 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.502 HD22 ' N ' ' A' ' 27' ' ' ASN . 0.9 OUTLIER -97.24 43.01 1.08 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.399 1.062 . . . . 72.44 109.311 -179.984 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.461 ' CG ' ' HB3' ' A' ' 25' ' ' PHE . 0.1 OUTLIER -128.35 168.25 15.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 75.13 110.358 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.561 HG23 ' CB ' ' A' ' 95' ' ' TYR . 11.7 mm -127.38 99.8 27.01 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 73.21 109.22 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.602 ' HA ' HD22 ' A' ' 50' ' ' LEU . 18.4 Cg_endo -75.02 109.74 2.99 Favored 'Trans proline' 0 C--N 1.361 1.224 0 O-C-N 124.423 1.749 . . . . 64.02 110.982 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.641 ' O ' HD13 ' A' ' 32' ' ' ILE . 1.5 m -129.4 168.12 23.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.559 1.162 . . . . 75.34 109.281 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.757 HD11 ' CD1' ' A' ' 104' ' ' PHE . 3.8 mm -136.43 99.6 2.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.451 1.094 . . . . 65.24 109.191 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.601 ' SG ' HD12 ' A' ' 64' ' ' ILE . 3.7 t -64.31 135.55 56.31 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.538 1.149 . . . . 43.2 108.347 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.879 ' CG ' HH21 ' A' ' 47' ' ' ARG . 2.4 tt0 -138.75 166.69 23.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.113 . . . . 74.13 110.236 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.26 136.87 53.42 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.419 1.074 . . . . 74.11 109.336 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -82.94 133.99 35.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 61.54 109.356 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.466 ' CG ' ' N ' ' A' ' 38' ' ' LYS . 11.5 pt-20 -61.99 -49.08 77.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 72.1 110.365 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.466 ' N ' ' CG ' ' A' ' 37' ' ' GLU . 0.0 OUTLIER -44.92 -30.41 1.0 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.419 1.074 . . . . 70.13 109.205 -179.98 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -65.87 171.74 4.15 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.136 . . . . 61.22 109.942 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 19.4 t0 -127.21 18.67 7.03 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.455 1.097 . . . . 65.12 109.222 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.594 HD11 ' CE2' ' A' ' 109' ' ' TYR . 0.1 OUTLIER -94.12 164.14 21.29 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.431 1.082 . . . . 75.43 109.312 -179.947 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.484 ' O ' HG21 ' A' ' 68' ' ' ILE . 18.2 Cg_endo -75.12 130.47 13.18 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.504 1.792 . . . . 64.4 111.006 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 15.5 tt0 -71.46 156.58 39.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 74.43 110.252 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.678 HD11 ' HG3' ' A' ' 67' ' ' ARG . 13.8 tt -73.59 170.72 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.554 1.159 . . . . 73.53 109.405 179.904 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 39.1 m-20 -76.17 -44.21 39.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 74.13 109.354 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.415 ' N ' ' CD ' ' A' ' 46' ' ' LYS . 0.0 OUTLIER -138.92 168.88 18.85 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 72.31 109.318 179.961 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.879 HH21 ' CG ' ' A' ' 34' ' ' GLU . 0.2 OUTLIER -119.28 92.16 3.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 73.31 110.332 -179.958 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.626 ' NZ ' HD23 ' A' ' 50' ' ' LEU . 17.5 tptt -167.89 113.47 0.69 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.644 1.215 . . . . 65.41 109.369 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.64 ' CE2' ' CD1' ' A' ' 64' ' ' ILE . 18.5 m-85 -137.46 121.72 18.09 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 72.34 110.965 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.626 HD23 ' NZ ' ' A' ' 48' ' ' LYS . 0.5 OUTLIER -105.42 76.58 1.22 Allowed 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.484 1.115 . . . . 74.33 109.344 179.976 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.724 HG23 ' HD2' ' A' ' 52' ' ' PRO . 2.4 p -75.61 144.03 76.47 Favored Pre-proline 0 C--N 1.326 -0.423 0 O-C-N 124.419 1.075 . . . . 63.4 109.284 -179.903 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.724 ' HD2' HG23 ' A' ' 51' ' ' VAL . 18.1 Cg_endo -75.01 174.89 12.0 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.506 1.793 . . . . 72.44 110.949 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.529 ' HB1' ' OG ' ' A' ' 92' ' ' SER . . . -89.64 19.16 4.81 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.592 1.182 . . . . 72.45 109.316 179.902 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -120.08 -38.72 2.9 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.478 1.111 . . . . 72.41 109.403 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.443 ' HG ' ' CB ' ' A' ' 59' ' ' GLN . 2.8 tp -60.66 132.84 55.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 73.35 109.231 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.416 HG22 ' CD1' ' A' ' 90' ' ' LEU . 1.3 p -89.59 -173.48 3.97 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.546 1.154 . . . . 33.54 110.355 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 2.4 t -73.56 -44.81 52.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.536 1.147 . . . . 60.44 109.299 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -70.22 -9.2 63.49 Favored Glycine 0 CA--C 1.529 0.921 0 O-C-N 124.411 1.069 . . . . 73.23 111.007 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.443 ' CB ' ' HG ' ' A' ' 55' ' ' LEU . 6.7 mt-30 -95.68 -24.74 16.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.449 0.735 . . . . 74.53 110.27 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.65 ' CE2' HD11 ' A' ' 64' ' ' ILE . 44.1 t80 -77.77 -42.62 33.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.116 . . . . 73.03 111.006 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.706 HG22 HG12 ' A' ' 78' ' ' ILE . 95.6 t -47.91 -34.01 4.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 73.01 109.248 -179.917 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.565 ' CE1' ' HG3' ' A' ' 66' ' ' LYS . 0.2 OUTLIER -60.79 -38.85 86.7 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.557 1.161 . . . . 74.54 111.0 -179.98 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 1.016 HG21 ' C ' ' B' ' 630' ' ' ALA . 43.7 t -70.07 -43.47 79.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 65.32 109.329 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.65 HD11 ' CE2' ' A' ' 60' ' ' PHE . 3.8 mm -65.51 -33.88 66.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.547 1.154 . . . . 74.05 109.318 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.463 ' HE ' HG22 ' A' ' 76' ' ' ILE . 4.4 tpp85 -81.27 -3.25 51.88 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.455 1.097 . . . . 63.25 110.243 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.565 ' HG3' ' CE1' ' A' ' 62' ' ' TYR . 6.7 mmmt -90.52 -49.9 6.24 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.595 1.184 . . . . 71.45 109.297 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.678 ' HG3' HD11 ' A' ' 44' ' ' ILE . 5.5 mmp_? -50.17 -67.5 0.25 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 74.15 110.293 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.496 ' O ' ' CG ' ' A' ' 69' ' ' MET . 5.7 pt -72.02 -6.23 7.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.128 . . . . 74.21 109.283 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.496 ' CG ' ' O ' ' A' ' 68' ' ' ILE . 5.2 ptp 42.73 44.04 3.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 64.34 110.98 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.535 HD12 ' HA ' ' A' ' 70' ' ' LEU . 5.2 tp -53.96 140.51 51.07 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 62.43 109.276 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 170.04 21.29 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.544 1.813 . . . . 75.31 110.937 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.12 -0.42 9.98 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.457 1.767 . . . . 73.31 111.012 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 18.3 pt-20 -92.62 2.92 56.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 75.11 110.311 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -125.87 -179.62 4.76 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.5 1.125 . . . . 74.24 109.356 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -139.36 160.88 38.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.563 1.165 . . . . 54.01 109.304 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.883 HD11 ' CD2' ' A' ' 109' ' ' TYR . 1.6 tt -150.98 135.78 9.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.562 1.164 . . . . 71.13 109.231 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.735 ' HB3' HD11 ' A' ' 84' ' ' LEU . 94.8 m-85 -135.97 138.01 41.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 70.23 111.04 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.736 HG23 HG13 ' A' ' 107' ' ' VAL . 10.3 mm -84.1 135.4 24.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.557 1.161 . . . . 70.04 109.376 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . 0.507 ' CZ ' HD13 ' A' ' 84' ' ' LEU . 3.9 m-85 -127.2 119.99 27.71 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.433 1.083 . . . . 63.12 111.0 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.563 ' O ' HG22 ' A' ' 83' ' ' THR . 1.7 t -119.15 109.45 26.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.464 1.102 . . . . 75.21 109.38 179.888 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . 0.517 ' O ' ' CB ' ' A' ' 82' ' ' ASP . 2.3 m-80 71.95 19.46 4.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.106 . . . . 74.42 109.24 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . 0.517 ' CB ' ' O ' ' A' ' 81' ' ' ASN . 3.9 m-20 82.78 23.42 0.17 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.411 1.069 . . . . 75.13 109.315 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.563 HG22 ' O ' ' A' ' 80' ' ' VAL . 0.7 OUTLIER -131.09 133.64 45.84 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.62 1.2 . . . . 74.25 110.375 179.987 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.735 HD11 ' HB3' ' A' ' 77' ' ' PHE . 0.2 OUTLIER -92.07 112.1 53.28 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 64.22 109.354 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 166.75 28.56 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.524 1.802 . . . . 73.14 111.043 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . 0.888 ' HG2' ' HB2' ' A' ' 89' ' ' ALA . 18.3 Cg_endo -75.04 -167.41 0.42 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.478 1.778 . . . . 70.44 111.017 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 2.8 p -97.48 -37.96 9.78 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.476 1.11 . . . . 62.41 110.351 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -82.42 6.77 16.13 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 71.44 109.307 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 1.039 ' HB1' HD11 ' A' ' 94' ' ' ILE . . . -76.11 61.65 1.59 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.529 1.143 . . . . 73.43 109.335 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.589 ' C ' ' O ' ' A' ' 89' ' ' ALA . 0.4 OUTLIER -24.48 122.4 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.521 1.138 . . . . 71.21 109.239 -179.959 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . 0.432 ' CG ' ' O ' ' A' ' 55' ' ' LEU . 41.5 mmm -53.55 -17.94 2.47 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.464 1.103 . . . . 71.21 110.984 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . 0.529 ' OG ' ' HB1' ' A' ' 53' ' ' ALA . 5.3 t -72.92 -39.31 66.4 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.447 1.092 . . . . 61.22 109.987 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -85.28 -9.91 57.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 70.44 109.315 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 1.039 HD11 ' HB1' ' A' ' 89' ' ' ALA . 23.3 mm -83.88 -46.22 18.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.569 1.168 . . . . 61.53 109.262 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . 0.596 ' CE2' ' HD2' ' A' ' 30' ' ' PRO . 14.5 t80 -70.52 -4.24 21.92 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.464 1.102 . . . . 52.14 111.023 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -100.92 -12.44 18.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 73.33 110.272 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -118.75 -8.18 10.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.457 1.098 . . . . 70.13 110.25 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . 0.616 ' HD2' HG23 ' A' ' 94' ' ' ILE . 87.2 m-70 -129.45 18.07 5.87 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 62.03 109.635 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.509 ' HB3' ' O ' ' A' ' 95' ' ' TYR . 0.0 OUTLIER -54.64 174.0 0.07 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.422 1.077 . . . . 60.42 109.264 -179.944 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -137.06 166.07 24.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 64.51 109.26 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 19.1 mtmm -58.85 -46.31 88.03 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.45 1.094 . . . . 74.24 109.319 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . 0.577 ' HB3' ' CE2' ' A' ' 11' ' ' PHE . 0.4 OUTLIER -70.09 -8.28 48.22 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.495 1.122 . . . . 52.35 109.322 179.944 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 87.73 -39.68 3.1 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.538 1.149 . . . . 42.14 110.954 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . 0.757 ' CD1' HD11 ' A' ' 32' ' ' ILE . 2.9 m-85 -65.08 130.04 41.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 0.781 . . . . 73.23 110.965 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.466 ' HA ' HD12 ' A' ' 105' ' ' LEU . 4.2 tp -71.27 167.7 18.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 74.42 109.261 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . 0.449 ' OH ' ' NH2' ' A' ' 14' ' ' ARG . 63.6 m-85 -141.91 88.76 2.14 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.59 1.181 . . . . 64.4 110.979 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.736 HG13 HG23 ' A' ' 78' ' ' ILE . 2.1 t -90.98 163.45 2.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.552 1.158 . . . . 71.32 109.253 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . 0.825 HG23 ' HB3' ' A' ' 34' ' ' GLU . 0.2 OUTLIER -152.56 108.59 3.36 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.114 . . . . 74.21 110.476 180.0 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' TYR . . . . . 0.883 ' CD2' HD11 ' A' ' 76' ' ' ILE . 37.4 p90 -95.07 138.79 32.32 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.132 . . . . 63.54 110.949 -179.909 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 28.8 t -137.1 154.18 50.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.461 1.101 . . . . 73.5 110.066 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -81.14 5.13 67.9 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.512 1.132 . . . . 54.34 110.99 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -116.77 134.91 54.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 0.753 . . . . 65.25 110.326 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . 0.467 ' HB2' ' CE2' ' A' ' 77' ' ' PHE . 21.8 t-20 -91.84 16.3 11.17 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.467 1.105 . . . . 71.13 109.368 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . 0.506 HG22 ' H ' ' A' ' 115' ' ' PHE . 10.8 m -107.74 174.87 5.69 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.566 1.167 . . . . 73.22 110.372 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . 0.506 ' H ' HG22 ' A' ' 114' ' ' THR . 2.1 p90 -122.66 97.53 5.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.56 1.163 . . . . 74.33 110.949 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.088 0 O-C-N 124.525 1.14 . . . . 63.52 110.926 -179.986 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 597' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 N-CA-C 110.914 -0.874 . . . . 75.34 110.914 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 598' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 113.95 3.91 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.392 1.733 . . . . 62.55 111.005 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 599' ' ' HIS . . . . . . . . . . . . . 9.3 p80 -146.79 160.07 42.71 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.337 1.023 . . . . 61.33 109.523 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 600' ' ' MET . . . . . . . . . . . . . 7.6 ttm -41.94 150.84 0.11 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.474 1.109 . . . . 71.31 110.888 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 601' ' ' ILE . . . . . 0.64 ' O ' HG22 ' B' ' 601' ' ' ILE . 4.8 mp -92.25 61.19 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.599 1.187 . . . . 72.44 109.25 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 602' ' ' SER . . . . . . . . . . . . . 69.0 m -73.24 -74.79 0.16 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.427 1.079 . . . . 55.44 109.971 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 603' ' ' GLY . . . . . 0.402 ' HA3' ' NZ ' ' B' ' 608' ' ' LYS . . . 46.74 87.17 0.01 OUTLIER Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.472 1.108 . . . . 71.31 111.038 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 604' ' ' LEU . . . . . . . . . . . . . 3.9 pp -49.33 -34.75 16.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 0.775 . . . . 63.33 109.275 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 605' ' ' SER . . . . . . . . . . . . . 17.2 p -67.97 -175.1 0.53 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.149 . . . . 73.05 110.015 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 606' ' ' VAL . . . . . . . . . . . . . 3.5 p -42.52 150.75 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 74.11 109.302 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 607' ' ' ILE . . . . . . . . . . . . . 4.3 mm -53.1 143.67 4.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.449 1.093 . . . . 71.45 109.282 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 608' ' ' LYS . . . . . 0.402 ' NZ ' ' HA3' ' B' ' 603' ' ' GLY . 0.0 OUTLIER -139.87 152.4 46.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.403 1.064 . . . . 71.52 109.308 -179.98 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 609' ' ' GLN . . . . . 0.445 ' N ' ' CD ' ' B' ' 609' ' ' GLN . 4.8 mp0 -120.74 147.61 45.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.585 1.178 . . . . 75.51 110.39 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 610' ' ' GLU . . . . . 0.577 ' O ' HG13 ' B' ' 611' ' ' VAL . 87.4 mt-10 -43.79 167.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.477 1.111 . . . . 74.31 110.345 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 611' ' ' VAL . . . . . 0.577 HG13 ' O ' ' B' ' 610' ' ' GLU . 0.7 OUTLIER -156.79 111.55 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 74.53 109.204 -179.949 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 612' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -109.79 -56.2 2.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 72.22 110.331 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 613' ' ' ARG . . . . . . . . . . . . . 18.1 ptp180 -131.13 -43.29 1.06 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.437 1.086 . . . . 71.31 110.376 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 614' ' ' LEU . . . . . 0.738 HD22 ' O ' ' B' ' 618' ' ' VAL . 3.3 pp -109.9 -169.34 1.45 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.466 1.104 . . . . 75.01 109.272 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 615' ' ' GLY . . . . . 0.401 ' O ' ' C ' ' B' ' 616' ' ' ASN . . . -173.18 -111.65 0.27 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.546 1.154 . . . . 55.23 111.009 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 616' ' ' ASN . . . . . 0.419 ' ND2' ' OD2' ' B' ' 617' ' ' ASP . 0.5 OUTLIER -39.79 -70.68 0.1 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.521 0.777 . . . . 73.32 109.384 179.932 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 617' ' ' ASP . . . . . 0.438 ' C ' ' N ' ' B' ' 619' ' ' PHE . 0.3 OUTLIER -95.7 98.1 10.22 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.482 1.113 . . . . 64.21 109.282 179.939 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 618' ' ' VAL . . . . . 0.831 HG12 ' CE2' ' A' ' 9' ' ' TYR . 5.2 m -39.11 -31.12 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.45 1.094 . . . . 73.24 109.301 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 619' ' ' PHE . . . . . 0.83 ' CD1' HG23 ' B' ' 618' ' ' VAL . 7.7 m-30 -89.28 78.9 7.18 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.461 1.101 . . . . 72.23 110.948 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 620' ' ' GLU . . . . . 0.418 ' CD ' ' HA ' ' B' ' 614' ' ' LEU . 6.0 pt-20 -140.71 49.54 1.69 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.554 1.159 . . . . 53.42 110.32 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 621' ' ' TRP . . . . . 0.669 ' CZ3' HD23 ' B' ' 614' ' ' LEU . 1.0 OUTLIER -142.46 -166.63 2.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 73.32 108.005 -179.96 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 622' ' ' GLU . . . . . 0.542 ' C ' ' O ' ' B' ' 621' ' ' TRP . 2.4 mm-40 -26.98 -81.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.104 . . . . 64.15 110.291 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 623' ' ' ASP . . . . . 0.531 ' O ' ' CB ' ' B' ' 626' ' ' SER . 3.6 m-20 -153.04 105.56 2.93 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 72.32 109.299 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 624' ' ' ASP . . . . . 0.651 ' CB ' ' CG ' ' B' ' 619' ' ' PHE . 2.1 p-10 -54.7 -47.5 73.61 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.44 1.088 . . . . 63.21 109.354 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 625' ' ' GLU . . . . . 0.401 ' O ' ' C ' ' B' ' 626' ' ' SER . 1.4 pt-20 -81.79 5.94 17.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.146 . . . . 75.1 110.294 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 626' ' ' SER . . . . . 0.531 ' CB ' ' O ' ' B' ' 623' ' ' ASP . 12.9 t -38.37 156.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 72.44 110.046 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 627' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -86.76 7.3 27.42 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 61.45 109.328 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 628' ' ' GLU . . . . . 0.48 ' O ' ' CG1' ' A' ' 63' ' ' VAL . 4.9 pt-20 -96.59 -3.98 42.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.61 1.194 . . . . 70.04 110.382 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 629' ' ' ILE . . . . . 0.6 ' C ' HD12 ' B' ' 629' ' ' ILE . 1.2 pp -109.03 16.53 7.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 61.41 109.251 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 630' ' ' ALA . . . . . 1.016 ' C ' HG21 ' A' ' 63' ' ' VAL . . . . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.114 . . . . 73.25 109.342 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 0' ' ' HIS . . . . . . . . . . . . . 30.8 p-80 . . . . . 0 N--CA 1.452 -0.336 0 N-CA-C 109.677 -0.49 . . . . 72.51 109.677 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.8 ptp -123.88 161.06 26.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 71.22 111.026 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 17.3 mtpt -127.69 -51.78 1.36 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.112 . . . . 64.1 109.342 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.434 ' OG ' ' NH1' ' A' ' 47' ' ' ARG . 4.3 m -90.5 148.09 22.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 61.21 109.94 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.433 ' OG1' ' HA ' ' A' ' 46' ' ' LYS . 61.5 p -132.03 -75.75 0.51 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.425 1.078 . . . . 74.44 110.399 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.564 ' O ' ' CZ ' ' A' ' 9' ' ' TYR . 9.5 t80 -55.26 -17.61 4.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.554 1.159 . . . . 75.11 111.017 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.486 ' HZ2' ' CZ ' ' A' ' 47' ' ' ARG . 0.0 OUTLIER -100.13 -26.71 13.85 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.515 1.134 . . . . 72.11 109.368 179.956 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -87.12 4.95 40.17 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.365 1.041 . . . . 63.35 109.973 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.743 ' O ' HG12 ' B' ' 611' ' ' VAL . 1.4 tp10 -87.09 -37.15 17.66 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 75.05 110.279 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.568 ' CD2' ' HB3' ' A' ' 8' ' ' GLU . 0.4 OUTLIER -143.7 169.09 11.07 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.506 1.129 . . . . 62.13 110.974 -179.965 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 177.81 8.07 Favored 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.528 1.804 . . . . 44.44 111.079 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.436 ' CE2' ' HB3' ' A' ' 102' ' ' ASP . 2.0 t80 -62.07 -54.05 46.86 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.604 1.19 . . . . 73.12 110.991 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.435 ' O ' ' N ' ' A' ' 15' ' ' LYS . 29.3 mp0 -46.81 -55.34 8.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.13 . . . . 72.25 110.277 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.42 ' HG2' ' CB ' ' A' ' 9' ' ' TYR . 0.1 OUTLIER -45.45 -31.41 1.72 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.396 1.06 . . . . 72.31 109.315 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.469 ' NH2' ' CZ ' ' A' ' 106' ' ' TYR . 14.8 mtp85 -84.39 -35.02 23.44 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.469 1.106 . . . . 72.4 110.229 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.435 ' N ' ' O ' ' A' ' 12' ' ' GLU . 9.3 pttt -62.48 -42.57 99.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.135 . . . . 63.02 109.348 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -68.38 -25.38 65.04 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.402 1.063 . . . . 52.13 109.315 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.401 ' C ' ' N ' ' A' ' 19' ' ' GLU . 28.0 tp10 -71.79 -68.24 0.47 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.385 1.053 . . . . 64.25 110.306 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 4.4 p -47.48 -24.6 0.86 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 73.4 110.006 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.401 ' N ' ' C ' ' A' ' 17' ' ' GLU . 6.1 mm-40 -63.28 -42.86 99.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 72.31 110.28 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 24.5 mtp180 -77.49 -36.11 52.99 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.509 1.13 . . . . 74.03 110.257 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 19.3 mt -60.62 -18.5 17.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.55 1.156 . . . . 70.13 109.285 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -74.36 -26.08 59.91 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.559 1.162 . . . . 53.32 109.331 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 63.1 t0 -94.97 -37.07 11.32 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.455 1.097 . . . . 74.04 109.27 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.543 ' HB3' ' CE2' ' A' ' 25' ' ' PHE . 6.8 mtp180 -68.31 -50.69 51.77 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.564 1.165 . . . . 72.2 110.312 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.543 ' CE2' ' HB3' ' A' ' 24' ' ' ARG . 3.2 m-85 -140.02 91.26 10.29 Favored Pre-proline 0 C--N 1.324 -0.528 0 O-C-N 124.598 1.186 . . . . 64.32 111.002 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 -29.61 8.14 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.485 1.782 . . . . 74.2 111.048 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.621 HD22 ' N ' ' A' ' 27' ' ' ASN . 0.9 OUTLIER -91.14 40.03 1.01 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 72.44 109.214 -179.959 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.404 ' HD3' ' HA ' ' A' ' 52' ' ' PRO . 12.5 mmt85 -125.25 171.26 10.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 75.13 110.32 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.544 HD12 ' HA ' ' A' ' 92' ' ' SER . 20.3 mm -138.55 96.73 9.55 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 73.21 109.276 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.564 ' HD2' ' CE2' ' A' ' 95' ' ' TYR . 18.1 Cg_endo -75.07 121.08 6.33 Favored 'Trans proline' 0 C--N 1.359 1.099 0 O-C-N 124.464 1.77 . . . . 64.02 110.965 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.511 HG13 HG22 ' A' ' 51' ' ' VAL . 0.9 OUTLIER -132.74 173.92 14.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.584 1.177 . . . . 75.34 109.251 -179.966 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.593 HG22 ' HB2' ' A' ' 47' ' ' ARG . 6.1 mm -136.1 98.5 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.467 1.105 . . . . 65.24 109.282 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.62 ' HA ' HG13 ' A' ' 107' ' ' VAL . 2.0 t -85.41 122.48 29.63 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.573 1.17 . . . . 43.2 108.266 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.442 ' OE2' HG22 ' A' ' 44' ' ' ILE . 7.7 tp10 -134.23 159.22 41.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.555 1.159 . . . . 74.13 110.238 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.567 ' HG2' ' CE2' ' A' ' 109' ' ' TYR . 0.1 OUTLIER -99.59 124.26 44.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.12 . . . . 74.11 109.293 -179.92 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.412 ' N ' ' HD2' ' A' ' 35' ' ' LYS . . . -55.35 176.78 0.05 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.562 1.163 . . . . 61.54 109.283 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.455 ' CG ' ' N ' ' A' ' 38' ' ' LYS . 11.9 pt-20 -96.3 -51.07 4.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.626 1.204 . . . . 72.1 110.31 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.455 ' N ' ' CG ' ' A' ' 37' ' ' GLU . 12.0 mmmt -47.74 -48.48 29.81 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.478 1.111 . . . . 70.13 109.245 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.413 ' HB3' ' NZ ' ' A' ' 35' ' ' LYS . 0.3 OUTLIER -39.74 158.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 61.22 110.035 -179.994 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -114.25 2.65 14.87 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.4 1.063 . . . . 65.12 109.299 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.626 HD11 ' CE2' ' A' ' 109' ' ' TYR . 0.1 OUTLIER -77.27 166.77 41.89 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.547 1.155 . . . . 75.43 109.293 -179.959 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.416 ' O ' HG21 ' A' ' 68' ' ' ILE . 18.3 Cg_endo -75.06 120.3 5.99 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.52 1.8 . . . . 64.4 111.004 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -58.39 141.64 50.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.144 . . . . 74.43 110.23 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.762 HD11 ' OH ' ' A' ' 49' ' ' TYR . 4.6 tt -60.61 173.83 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.132 . . . . 73.53 109.356 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -77.77 -35.35 51.72 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.441 1.088 . . . . 74.13 109.321 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.532 ' HE2' ' CE2' ' B' ' 621' ' ' TRP . 0.0 OUTLIER -163.48 169.55 18.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.142 . . . . 72.31 109.287 179.965 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.593 ' HB2' HG22 ' A' ' 32' ' ' ILE . 3.5 ptm180 -113.94 94.98 5.08 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.44 1.087 . . . . 73.31 110.308 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.556 ' HB2' ' CD2' ' A' ' 5' ' ' PHE . 15.2 tptp -166.64 108.93 0.71 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.573 1.171 . . . . 65.41 109.185 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.762 ' OH ' HD11 ' A' ' 44' ' ' ILE . 30.9 m-85 -140.13 121.72 15.22 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.115 . . . . 72.34 110.927 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 6.8 tp -105.55 77.33 1.27 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.12 . . . . 74.33 109.34 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.745 HG12 ' HA ' ' B' ' 630' ' ' ALA . 19.7 m -75.33 150.07 84.78 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.573 1.171 . . . . 63.4 109.308 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.404 ' HA ' ' HD3' ' A' ' 28' ' ' ARG . 18.2 Cg_endo -75.0 -177.6 3.58 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.453 1.765 . . . . 72.44 110.963 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -94.63 18.8 10.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 72.45 109.304 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -119.59 -39.0 2.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.545 1.153 . . . . 72.41 109.31 179.897 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.863 HD13 ' N ' ' A' ' 56' ' ' THR . 1.2 tm? -52.93 164.52 0.38 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 73.35 109.316 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.863 ' N ' HD13 ' A' ' 55' ' ' LEU . 0.2 OUTLIER -133.13 179.2 6.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.427 1.079 . . . . 33.54 110.434 179.973 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 2.8 t -67.33 -59.58 3.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 60.44 109.279 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -55.28 -16.94 10.3 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.59 1.181 . . . . 73.23 111.001 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.553 ' HB3' HD21 ' A' ' 55' ' ' LEU . 37.7 mt-30 -99.15 -29.47 12.83 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.58 0.812 . . . . 74.53 110.363 179.883 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.572 ' HE2' HG11 ' A' ' 107' ' ' VAL . 14.0 t80 -69.57 -38.37 77.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.146 . . . . 73.03 110.956 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.596 HG22 ' CG1' ' A' ' 78' ' ' ILE . 84.6 t -56.75 -44.31 81.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.529 1.143 . . . . 73.01 109.302 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.571 ' CD1' ' O ' ' A' ' 62' ' ' TYR . 0.0 OUTLIER -47.33 -26.19 1.2 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.513 1.133 . . . . 74.54 111.001 180.0 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.96 HG21 ' C ' ' B' ' 630' ' ' ALA . 78.2 t -82.98 -43.28 18.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 65.32 109.358 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.516 HG21 ' CG ' ' A' ' 109' ' ' TYR . 11.6 mm -63.92 -30.37 49.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.444 1.09 . . . . 74.05 109.363 179.89 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 8.9 tpp85 -80.87 -3.12 50.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.145 . . . . 63.25 110.269 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 2.2 mttm -91.18 -52.34 4.87 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.132 . . . . 71.45 109.304 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.401 ' HG3' ' OH ' ' A' ' 49' ' ' TYR . 5.1 mmp_? -47.78 -70.48 0.09 Allowed 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.529 1.143 . . . . 74.15 110.264 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.49 ' O ' ' CG ' ' A' ' 69' ' ' MET . 4.9 pt -69.92 -7.83 9.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.433 1.083 . . . . 74.21 109.244 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.49 ' CG ' ' O ' ' A' ' 68' ' ' ILE . 3.0 ptt? 43.31 40.41 2.55 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.475 1.109 . . . . 64.34 110.955 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.504 HD12 ' HA ' ' A' ' 70' ' ' LEU . 4.7 tp -50.96 140.73 20.08 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.546 1.154 . . . . 62.43 109.257 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 171.15 18.88 Favored 'Trans proline' 0 C--N 1.362 1.271 0 O-C-N 124.474 1.776 . . . . 75.31 110.983 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -75.03 0.26 9.14 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.5 1.79 . . . . 73.31 110.94 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -94.65 8.38 42.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.154 . . . . 75.11 110.3 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -130.6 -179.19 5.14 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.515 1.134 . . . . 74.24 109.301 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -140.02 163.08 33.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 54.01 109.307 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.703 HD11 ' CD2' ' A' ' 109' ' ' TYR . 2.3 tt -150.69 137.12 12.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.427 1.079 . . . . 71.13 109.276 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 79.9 m-85 -136.79 139.47 41.81 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.435 1.084 . . . . 70.23 110.95 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.6 ' CG2' ' CG2' ' A' ' 107' ' ' VAL . 5.7 mm -84.62 155.26 3.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.534 1.146 . . . . 70.04 109.292 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . 0.487 ' CE1' ' HB3' ' A' ' 115' ' ' PHE . 5.7 m-85 -145.72 128.27 16.06 Favored 'General case' 0 C--N 1.323 -0.569 0 O-C-N 124.58 1.175 . . . . 63.12 111.065 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.751 ' O ' HG22 ' A' ' 83' ' ' THR . 2.4 t -131.78 105.4 9.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.123 . . . . 75.21 109.401 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . 0.541 ' ND2' ' CE1' ' A' ' 98' ' ' HIS . 2.7 m-80 72.32 24.22 3.08 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.12 . . . . 74.42 109.292 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . 0.461 ' CB ' ' O ' ' A' ' 81' ' ' ASN . 4.3 m-20 78.85 18.09 0.92 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 75.13 109.349 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.751 HG22 ' O ' ' A' ' 80' ' ' VAL . 1.0 OUTLIER -120.25 143.16 48.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 74.25 110.419 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.401 ' CD1' ' CZ ' ' A' ' 79' ' ' PHE . 0.2 OUTLIER -100.56 108.46 53.41 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.455 1.097 . . . . 64.22 109.315 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.13 162.25 37.09 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.493 1.786 . . . . 73.14 110.946 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . 0.741 ' HD2' ' HB2' ' A' ' 89' ' ' ALA . 18.4 Cg_endo -74.95 -163.83 0.2 Allowed 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.483 1.781 . . . . 70.44 110.996 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 3.7 p -96.7 -31.75 12.53 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.522 1.139 . . . . 62.41 110.41 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -86.03 10.39 14.35 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.528 1.142 . . . . 71.44 109.372 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 1.03 ' HB1' HD11 ' A' ' 94' ' ' ILE . . . -75.89 60.73 1.39 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.528 1.142 . . . . 73.43 109.238 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.507 ' C ' ' O ' ' A' ' 89' ' ' ALA . 0.4 OUTLIER -31.74 117.37 0.2 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 71.21 109.308 179.869 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . 0.425 ' C ' ' O ' ' A' ' 90' ' ' LEU . 55.9 mmm -36.06 -32.02 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.398 1.061 . . . . 71.21 110.989 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . 0.544 ' HA ' HD12 ' A' ' 29' ' ' ILE . 6.0 p -62.61 -54.95 31.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 61.22 110.016 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.438 ' N ' ' O ' ' A' ' 90' ' ' LEU . . . -66.17 -10.95 46.19 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.605 1.191 . . . . 70.44 109.298 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 1.03 HD11 ' HB1' ' A' ' 89' ' ' ALA . 30.5 mm -90.92 -39.09 11.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 O-C-N 124.505 1.128 . . . . 61.53 109.323 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . 0.762 ' CD2' HD23 ' A' ' 105' ' ' LEU . 9.6 t80 -79.91 -5.99 56.62 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.629 1.205 . . . . 52.14 111.021 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . 0.436 ' O ' ' CG ' ' A' ' 96' ' ' GLN . 3.3 tp-100 -100.25 -10.53 21.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.14 . . . . 73.33 110.343 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -120.27 -8.27 9.69 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.469 1.106 . . . . 70.13 110.319 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . 0.629 ' HB2' HD11 ' A' ' 105' ' ' LEU . 29.0 m-70 -126.36 16.21 7.71 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.563 1.164 . . . . 62.03 109.639 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.506 ' HB3' ' O ' ' A' ' 95' ' ' TYR . 0.1 OUTLIER -58.37 153.41 15.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.603 1.189 . . . . 60.42 109.302 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -120.29 177.02 5.18 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.46 1.1 . . . . 64.51 109.308 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 19.3 mtpt -61.79 -27.74 68.97 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.414 1.071 . . . . 74.24 109.357 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . 0.436 ' HB3' ' CE2' ' A' ' 11' ' ' PHE . 0.6 OUTLIER -89.67 -14.01 35.73 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 52.35 109.376 179.971 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . 0.544 ' O ' ' CZ ' ' A' ' 95' ' ' TYR . . . 91.18 -38.33 3.23 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.5 1.125 . . . . 42.14 111.095 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . 0.509 ' CD1' ' HB2' ' A' ' 30' ' ' PRO . 10.1 m-85 -57.89 135.25 56.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.458 0.74 . . . . 73.23 110.967 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.762 HD23 ' CD2' ' A' ' 95' ' ' TYR . 0.3 OUTLIER -82.0 145.91 30.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.102 . . . . 74.42 109.343 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . 0.469 ' CZ ' ' NH2' ' A' ' 14' ' ' ARG . 68.7 m-85 -121.4 92.39 3.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.105 . . . . 64.4 110.986 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.62 HG13 ' HA ' ' A' ' 33' ' ' CYS . 12.8 p -103.56 167.54 2.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.15 . . . . 71.32 109.351 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . 0.471 ' N ' HG22 ' A' ' 107' ' ' VAL . 0.2 OUTLIER -150.17 153.74 36.83 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.393 1.058 . . . . 74.21 110.432 179.964 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' TYR . . . . . 0.703 ' CD2' HD11 ' A' ' 76' ' ' ILE . 32.0 p90 -132.94 136.18 45.97 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.49 1.119 . . . . 63.54 110.993 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 45.8 t -137.26 153.73 50.28 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.49 1.119 . . . . 73.5 109.986 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -79.11 3.48 65.68 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.488 1.117 . . . . 54.34 111.022 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -123.99 131.66 53.59 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.553 0.796 . . . . 65.25 110.349 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 12.1 t-20 -73.15 -5.23 37.78 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.572 1.17 . . . . 71.13 109.467 179.869 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -74.63 161.7 29.44 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.51 1.131 . . . . 73.22 110.396 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . 0.487 ' HB3' ' CE1' ' A' ' 79' ' ' PHE . 0.7 OUTLIER -140.65 67.82 1.36 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 74.33 110.996 179.959 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.016 0 O-C-N 124.493 1.121 . . . . 63.52 110.993 -179.996 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 597' ' ' GLY . . . . . 0.414 ' N ' ' HD3' ' B' ' 598' ' ' PRO . . . . . . . . 0 CA--C 1.531 1.032 0 N-CA-C 111.025 -0.83 . . . . 75.34 111.025 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 598' ' ' PRO . . . . . 0.414 ' HD3' ' N ' ' B' ' 597' ' ' GLY . 18.2 Cg_endo -75.06 168.79 24.01 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.611 1.848 . . . . 62.55 110.989 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 599' ' ' HIS . . . . . 0.476 ' CD2' ' N ' ' B' ' 599' ' ' HIS . 0.2 OUTLIER -103.68 143.31 32.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.583 1.177 . . . . 61.33 109.575 -179.959 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 600' ' ' MET . . . . . . . . . . . . . 33.0 ttp -168.77 157.03 8.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.128 . . . . 71.31 110.972 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 601' ' ' ILE . . . . . 0.413 ' O ' HG22 ' B' ' 601' ' ' ILE . 25.3 mm -90.23 59.62 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.544 1.153 . . . . 72.44 109.276 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 602' ' ' SER . . . . . . . . . . . . . 4.7 p -49.88 129.09 19.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.428 1.08 . . . . 55.44 110.019 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 603' ' ' GLY . . . . . . . . . . . . . . . -95.57 -31.33 7.53 Favored Glycine 0 CA--C 1.529 0.908 0 O-C-N 124.504 1.128 . . . . 71.31 111.036 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 604' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -64.72 -15.59 61.71 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 0.752 . . . . 63.33 109.321 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 605' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -116.46 70.61 0.77 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.418 1.073 . . . . 73.05 109.928 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 606' ' ' VAL . . . . . 0.53 HG12 ' N ' ' B' ' 607' ' ' ILE . 21.9 t -50.69 170.38 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 74.11 109.287 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 607' ' ' ILE . . . . . 0.53 ' N ' HG12 ' B' ' 606' ' ' VAL . 6.3 mt -40.36 154.72 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.431 1.082 . . . . 71.45 109.209 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 608' ' ' LYS . . . . . 0.444 ' HZ3' ' HB3' ' B' ' 608' ' ' LYS . 0.0 OUTLIER -163.06 138.34 6.68 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.552 1.158 . . . . 71.52 109.31 179.969 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 609' ' ' GLN . . . . . . . . . . . . . 5.2 mp0 -89.95 -1.97 58.07 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.122 . . . . 75.51 110.289 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 610' ' ' GLU . . . . . 0.409 ' HG2' ' CG ' ' B' ' 608' ' ' LYS . 15.6 pt-20 -55.59 -172.08 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.42 1.075 . . . . 74.31 110.278 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 611' ' ' VAL . . . . . 0.743 HG12 ' O ' ' A' ' 8' ' ' GLU . 14.7 m -136.38 -171.76 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 74.53 109.27 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 612' ' ' GLU . . . . . 0.409 ' HG3' ' N ' ' B' ' 613' ' ' ARG . 17.6 pt-20 -116.8 -49.48 2.63 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.576 1.173 . . . . 72.22 110.291 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 613' ' ' ARG . . . . . 0.763 ' CG ' HD12 ' B' ' 614' ' ' LEU . 18.6 ptp180 -137.29 -45.17 0.56 Allowed 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.551 1.157 . . . . 71.31 110.353 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 614' ' ' LEU . . . . . 0.844 HD21 ' CZ3' ' B' ' 621' ' ' TRP . 4.6 mp -76.4 133.97 39.75 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.474 1.109 . . . . 75.01 109.31 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 615' ' ' GLY . . . . . . . . . . . . . . . -137.88 -98.41 0.47 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.547 1.155 . . . . 55.23 110.971 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 616' ' ' ASN . . . . . 0.454 ' CG ' ' N ' ' B' ' 617' ' ' ASP . 14.1 p-10 -89.17 -45.04 9.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.578 0.811 . . . . 73.32 109.317 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 617' ' ' ASP . . . . . 0.454 ' N ' ' CG ' ' B' ' 616' ' ' ASN . 56.6 m-20 -72.71 -12.0 60.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.413 1.071 . . . . 64.21 109.277 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 618' ' ' VAL . . . . . 0.578 ' O ' ' CD1' ' B' ' 619' ' ' PHE . 0.0 OUTLIER 39.66 33.52 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.123 . . . . 73.24 109.316 -179.897 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 619' ' ' PHE . . . . . 0.578 ' CD1' ' O ' ' B' ' 618' ' ' VAL . 14.0 m-85 -153.62 123.69 6.92 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.434 1.084 . . . . 72.23 110.959 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 620' ' ' GLU . . . . . 0.402 ' CD ' ' O ' ' B' ' 619' ' ' PHE . 4.0 mm-40 -140.41 -54.48 0.52 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 53.42 110.326 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 621' ' ' TRP . . . . . 0.844 ' CZ3' HD21 ' B' ' 614' ' ' LEU . 9.0 p90 -53.42 167.5 0.21 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.139 . . . . 73.32 108.054 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 622' ' ' GLU . . . . . 0.428 ' HG3' ' N ' ' B' ' 623' ' ' ASP . 36.1 tp10 -39.13 153.1 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 64.15 110.294 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 623' ' ' ASP . . . . . 0.428 ' HB3' ' CB ' ' B' ' 626' ' ' SER . 45.7 m-20 55.04 103.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 72.32 109.271 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 624' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -72.05 -62.75 1.32 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.566 1.166 . . . . 63.21 109.277 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 625' ' ' GLU . . . . . 0.403 ' O ' ' C ' ' B' ' 626' ' ' SER . 2.1 pt-20 -126.9 16.48 7.38 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 75.1 110.344 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 626' ' ' SER . . . . . 0.428 ' CB ' ' HB3' ' B' ' 623' ' ' ASP . 7.1 t -39.18 153.98 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 72.44 109.97 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 627' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -92.02 11.11 26.33 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.412 1.07 . . . . 61.45 109.341 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 628' ' ' GLU . . . . . . . . . . . . . 15.0 pt-20 -69.41 -14.09 62.71 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.507 1.129 . . . . 70.04 110.368 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 629' ' ' ILE . . . . . 0.489 ' C ' HD12 ' B' ' 629' ' ' ILE . 0.7 OUTLIER -93.12 30.88 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.525 1.141 . . . . 61.41 109.285 -179.977 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 630' ' ' ALA . . . . . 0.96 ' C ' HG21 ' A' ' 63' ' ' VAL . . . . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.567 1.167 . . . . 73.25 109.384 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 0' ' ' HIS . . . . . . . . . . . . . 16.0 p80 . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 109.549 -0.538 . . . . 72.51 109.549 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.3 ptp -65.61 -173.49 0.16 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.534 1.146 . . . . 71.22 111.005 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 39.0 mttm -140.2 -49.41 0.46 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.542 1.151 . . . . 64.1 109.333 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.454 ' OG ' ' CB ' ' A' ' 7' ' ' SER . 77.7 p -67.6 174.91 3.16 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 61.21 109.989 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.835 HG23 HH21 ' A' ' 47' ' ' ARG . 70.8 p -145.36 -91.74 0.1 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 74.44 110.468 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.621 ' CZ ' ' OH ' ' A' ' 9' ' ' TYR . 1.6 t80 -49.21 -28.65 4.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 75.11 110.99 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.524 ' HD3' HG21 ' A' ' 32' ' ' ILE . 21.6 mtmm -93.68 -23.59 18.18 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.556 1.16 . . . . 72.11 109.318 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.454 ' CB ' ' OG ' ' A' ' 3' ' ' SER . 0.3 OUTLIER -76.36 -12.56 60.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.142 . . . . 63.35 109.992 179.984 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.659 ' OE1' HG22 ' B' ' 611' ' ' VAL . 0.0 OUTLIER -73.4 -50.47 21.67 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.563 1.164 . . . . 75.05 110.252 -179.929 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.621 ' OH ' ' CZ ' ' A' ' 5' ' ' PHE . 0.2 OUTLIER -125.52 169.52 11.17 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 62.13 110.951 -179.928 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.424 ' N ' ' HG2' ' B' ' 609' ' ' GLN . 18.4 Cg_endo -74.99 175.91 10.6 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.586 1.835 . . . . 44.44 110.96 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.564 ' CE2' ' HB3' ' A' ' 102' ' ' ASP . 1.7 t80 -63.38 -43.98 96.04 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.526 1.141 . . . . 73.12 111.025 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 20.2 mt-10 -49.46 -22.64 1.25 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.489 1.118 . . . . 72.25 110.297 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.89 -36.29 36.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 72.31 109.315 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 1.055 HH21 HD11 ' A' ' 32' ' ' ILE . 0.1 OUTLIER -71.1 -54.77 9.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.144 . . . . 72.4 110.274 -179.931 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.419 ' HD3' ' CE1' ' A' ' 11' ' ' PHE . 16.8 pttt -53.4 -42.47 67.01 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.554 1.158 . . . . 63.02 109.359 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.407 ' N ' ' HG2' ' A' ' 15' ' ' LYS . . . -61.67 -35.34 77.68 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.538 1.149 . . . . 52.13 109.322 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 1.001 ' OE1' HG11 ' B' ' 618' ' ' VAL . 26.2 tt0 -68.21 -54.29 18.8 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.46 1.1 . . . . 64.25 110.318 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.416 ' HB3' ' CE2' ' A' ' 104' ' ' PHE . 11.2 p -59.41 -16.11 21.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 73.4 109.969 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 16.4 mm-40 -79.78 -23.92 41.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.421 1.076 . . . . 72.31 110.277 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.415 ' HG3' ' N ' ' A' ' 21' ' ' ILE . 11.4 ptt180 -101.75 -23.87 14.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 74.03 110.288 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.433 HD11 ' OE2' ' A' ' 17' ' ' GLU . 5.5 mt -63.71 -18.04 21.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.555 1.159 . . . . 70.13 109.327 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -74.89 -15.21 60.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.112 . . . . 53.32 109.319 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -105.79 -24.94 12.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.551 1.157 . . . . 74.04 109.276 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.542 ' HB3' ' CE2' ' A' ' 25' ' ' PHE . 30.1 mmm-85 -83.6 -52.58 6.34 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.556 1.16 . . . . 72.2 110.304 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.542 ' CE2' ' HB3' ' A' ' 24' ' ' ARG . 12.0 m-85 -145.34 86.06 7.69 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.149 . . . . 64.32 111.006 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.86 -26.67 11.0 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.457 1.767 . . . . 74.2 110.996 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 84.5 m-20 -92.33 41.58 1.08 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.132 . . . . 72.44 109.288 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.483 ' O ' HD13 ' A' ' 29' ' ' ILE . 1.7 mmt85 -131.22 -178.11 4.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.543 1.152 . . . . 75.13 110.304 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.483 HD13 ' O ' ' A' ' 28' ' ' ARG . 21.3 mm -141.81 102.1 5.88 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 73.21 109.272 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.593 ' HD2' ' CE2' ' A' ' 95' ' ' TYR . 18.3 Cg_endo -75.0 126.3 9.88 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.639 1.863 . . . . 64.02 110.985 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.895 ' O ' HD13 ' A' ' 32' ' ' ILE . 0.8 OUTLIER -141.42 173.37 8.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.574 1.171 . . . . 75.34 109.349 179.897 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 1.055 HD11 HH21 ' A' ' 14' ' ' ARG . 4.5 mm -142.16 111.68 2.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.576 1.173 . . . . 65.24 109.264 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.534 ' HA ' HG13 ' A' ' 107' ' ' VAL . 1.0 OUTLIER -82.44 129.59 34.93 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.534 1.146 . . . . 43.2 108.227 -179.96 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.75 ' HB3' HG23 ' A' ' 108' ' ' THR . 0.3 OUTLIER -124.82 149.64 47.23 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.485 1.116 . . . . 74.13 110.309 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.449 ' NZ ' ' O ' ' A' ' 39' ' ' SER . 7.9 tptt -91.34 124.4 35.51 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.518 1.136 . . . . 74.11 109.387 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.465 ' CB ' ' HB3' ' A' ' 110' ' ' SER . . . -59.38 169.48 1.21 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.449 1.093 . . . . 61.54 109.288 -179.907 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.44 ' CG ' ' N ' ' A' ' 38' ' ' LYS . 11.8 pt-20 -96.93 -48.88 5.25 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.435 1.085 . . . . 72.1 110.39 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.44 ' N ' ' CG ' ' A' ' 37' ' ' GLU . 0.1 OUTLIER -53.16 -46.82 69.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.142 . . . . 70.13 109.254 179.963 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.449 ' O ' ' NZ ' ' A' ' 35' ' ' LYS . 0.3 OUTLIER -59.5 158.98 8.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.575 1.172 . . . . 61.22 110.019 -179.968 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -122.93 34.29 5.18 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.47 1.106 . . . . 65.12 109.33 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.619 HD11 ' CE2' ' A' ' 109' ' ' TYR . 0.0 OUTLIER -83.54 167.38 28.94 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.5 1.125 . . . . 75.43 109.273 -179.979 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.59 ' O ' HG21 ' A' ' 68' ' ' ILE . 18.5 Cg_endo -74.95 115.0 4.16 Favored 'Trans proline' 0 C--N 1.358 1.064 0 O-C-N 124.465 1.771 . . . . 64.4 110.957 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -56.27 140.85 43.48 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.452 1.095 . . . . 74.43 110.271 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.628 HD11 ' HG3' ' A' ' 67' ' ' ARG . 12.2 tt -68.36 158.54 5.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 73.53 109.305 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 32.8 m-20 -61.06 -46.36 91.01 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.54 1.15 . . . . 74.13 109.293 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.578 ' HE3' ' CZ2' ' B' ' 621' ' ' TRP . 0.0 OUTLIER -147.83 167.75 23.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 72.31 109.372 179.911 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.835 HH21 HG23 ' A' ' 4' ' ' THR . 2.7 ptp180 -116.64 93.85 4.37 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.536 1.147 . . . . 73.31 110.248 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.562 ' HB2' ' CD2' ' A' ' 5' ' ' PHE . 12.8 tptp -166.23 93.48 0.52 Allowed 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.56 1.163 . . . . 65.41 109.188 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.678 ' HE2' HG12 ' A' ' 63' ' ' VAL . 20.2 m-85 -116.84 124.31 49.22 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.514 1.134 . . . . 72.34 110.997 179.904 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.417 HD13 ' HA ' ' A' ' 50' ' ' LEU . 0.0 OUTLIER -109.4 76.88 1.02 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 74.33 109.204 -179.909 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.924 HG21 ' SD ' ' A' ' 91' ' ' MET . 5.7 m -76.64 145.49 75.16 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.494 1.121 . . . . 63.4 109.262 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.9 -177.66 3.6 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.538 1.809 . . . . 72.44 111.027 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -92.02 18.7 7.59 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.513 1.133 . . . . 72.45 109.262 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.79 ' O ' HD11 ' A' ' 90' ' ' LEU . 21.9 t0 -118.89 -37.8 3.18 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.461 1.101 . . . . 72.41 109.29 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 1.038 HD23 ' HB1' ' B' ' 630' ' ' ALA . 0.0 OUTLIER -59.98 132.13 53.0 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.46 1.1 . . . . 73.35 109.242 -179.949 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.603 ' N ' HD12 ' A' ' 55' ' ' LEU . 9.1 p -92.79 -161.39 0.83 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.152 . . . . 33.54 110.387 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 2.9 t -86.76 -59.46 2.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 60.44 109.314 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -59.63 -13.91 26.33 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.478 1.111 . . . . 73.23 110.964 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.504 ' CB ' ' CD1' ' A' ' 55' ' ' LEU . 31.7 mt-30 -97.07 -27.39 14.61 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.485 0.756 . . . . 74.53 110.302 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.687 ' CD1' HG11 ' A' ' 51' ' ' VAL . 68.4 t80 -70.18 -41.03 74.28 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.44 1.087 . . . . 73.03 111.053 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.663 HG13 ' CG2' ' A' ' 76' ' ' ILE . 65.7 t -48.73 -47.23 15.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 O-C-N 124.571 1.17 . . . . 73.01 109.31 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.509 ' C ' ' CD1' ' A' ' 62' ' ' TYR . 0.1 OUTLIER -44.19 -33.71 1.62 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.531 1.145 . . . . 74.54 110.923 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.995 HG21 ' C ' ' B' ' 630' ' ' ALA . 88.9 t -73.83 -40.25 53.1 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 O-C-N 124.541 1.15 . . . . 65.32 109.286 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.559 HD11 ' CZ ' ' A' ' 60' ' ' PHE . 14.2 mm -67.31 -31.85 54.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.553 1.158 . . . . 74.05 109.322 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 5.5 tpp85 -80.43 -3.49 50.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 63.25 110.277 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -89.9 -50.83 5.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.152 . . . . 71.45 109.31 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.628 ' HG3' HD11 ' A' ' 44' ' ' ILE . 6.9 mmp_? -50.41 -65.68 0.52 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.449 1.093 . . . . 74.15 110.288 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.59 HG21 ' O ' ' A' ' 42' ' ' PRO . 5.6 pt -75.06 -3.3 4.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 74.21 109.215 -179.907 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.492 ' CG ' ' O ' ' A' ' 68' ' ' ILE . 10.6 ptp 43.47 38.41 1.79 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.434 1.083 . . . . 64.34 111.018 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.522 HD12 ' HA ' ' A' ' 70' ' ' LEU . 5.1 tp -50.97 140.97 19.63 Favored Pre-proline 0 C--N 1.324 -0.526 0 O-C-N 124.513 1.133 . . . . 62.43 109.265 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' ' 70' ' ' LEU . 18.0 Cg_endo -75.11 169.49 22.46 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.527 1.804 . . . . 75.31 111.005 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 -0.05 9.48 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.553 1.817 . . . . 73.31 111.054 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -91.69 -19.39 22.69 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.465 1.103 . . . . 75.11 110.246 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.498 ' NZ ' HD11 ' A' ' 70' ' ' LEU . 1.2 mttp -99.27 -178.96 4.08 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.627 1.204 . . . . 74.24 109.316 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -138.44 163.54 31.66 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.146 . . . . 54.01 109.337 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.663 ' CG2' HG13 ' A' ' 61' ' ' VAL . 1.6 tt -156.84 115.21 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.423 1.077 . . . . 71.13 109.342 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 77.1 m-85 -114.22 141.81 47.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.541 1.151 . . . . 70.23 110.991 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.601 ' CG1' HG22 ' A' ' 61' ' ' VAL . 2.5 mm -84.88 156.86 3.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.446 1.091 . . . . 70.04 109.33 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -149.34 128.51 12.81 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.102 . . . . 63.12 111.044 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.568 ' O ' HG22 ' A' ' 83' ' ' THR . 2.6 t -133.13 119.62 36.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.476 1.11 . . . . 75.21 109.322 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . 0.492 ' ND2' HG12 ' A' ' 80' ' ' VAL . 2.4 m-80 62.4 20.32 11.77 Favored 'General case' 0 C--N 1.327 -0.408 0 O-C-N 124.503 1.127 . . . . 74.42 109.324 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . 0.481 ' CB ' ' O ' ' A' ' 81' ' ' ASN . 4.3 t70 80.48 23.18 0.39 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 75.13 109.245 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.568 HG22 ' O ' ' A' ' 80' ' ' VAL . 0.7 OUTLIER -130.97 137.23 49.15 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.534 1.146 . . . . 74.25 110.436 179.944 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.493 ' CD1' ' O ' ' A' ' 78' ' ' ILE . 0.2 OUTLIER -91.58 112.42 54.29 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.55 1.157 . . . . 64.22 109.332 -179.989 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.09 162.6 36.64 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.432 1.754 . . . . 73.14 110.943 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . 0.748 ' HD2' ' HB2' ' A' ' 89' ' ' ALA . 18.5 Cg_endo -74.9 -176.68 2.98 Favored 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.544 1.813 . . . . 70.44 111.1 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 2.2 p -84.52 -32.41 23.92 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.464 1.103 . . . . 62.41 110.381 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -85.02 9.87 13.46 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.47 1.106 . . . . 71.44 109.322 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 1.053 ' HB1' HD11 ' A' ' 94' ' ' ILE . . . -76.0 60.66 1.43 Allowed 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.484 1.115 . . . . 73.43 109.28 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.79 HD11 ' O ' ' A' ' 54' ' ' ASP . 0.0 OUTLIER -30.41 118.66 0.17 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 71.21 109.306 180.0 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . 0.924 ' SD ' HG21 ' A' ' 51' ' ' VAL . 0.3 OUTLIER -39.45 -27.95 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 71.21 110.999 -179.979 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . 0.449 ' N ' ' O ' ' A' ' 90' ' ' LEU . 2.8 t -67.42 -57.05 7.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 61.22 110.03 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -62.75 -13.22 30.19 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.54 1.15 . . . . 70.44 109.302 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 1.053 HD11 ' HB1' ' A' ' 89' ' ' ALA . 34.9 mm -87.61 -42.35 15.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.447 1.092 . . . . 61.53 109.298 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . 0.855 ' CD2' HD23 ' A' ' 105' ' ' LEU . 10.0 t80 -77.41 -5.19 48.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 52.14 110.959 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . 0.455 ' O ' ' CG ' ' A' ' 96' ' ' GLN . 1.7 tt0 -102.47 -9.94 19.81 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.536 1.148 . . . . 73.33 110.299 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -120.44 -7.26 9.74 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.557 1.161 . . . . 70.13 110.382 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . 0.478 ' CE1' ' ND2' ' A' ' 81' ' ' ASN . 28.7 m-70 -128.76 17.56 6.29 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.486 1.116 . . . . 62.03 109.613 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.488 ' HB3' ' O ' ' A' ' 95' ' ' TYR . 0.1 OUTLIER -59.74 155.77 15.29 Favored 'General case' 0 C--N 1.326 -0.413 0 O-C-N 124.453 1.096 . . . . 60.42 109.248 -179.946 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -128.53 177.05 7.28 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.409 1.068 . . . . 64.51 109.29 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 24.1 mtmm -57.16 -49.63 75.37 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 74.24 109.354 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . 0.564 ' HB3' ' CE2' ' A' ' 11' ' ' PHE . 0.2 OUTLIER -62.34 -14.42 39.44 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.456 1.097 . . . . 52.35 109.249 179.985 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . 0.403 ' O ' ' CZ ' ' A' ' 95' ' ' TYR . . . 87.25 -39.25 3.11 Favored Glycine 0 CA--C 1.532 1.109 0 O-C-N 124.514 1.134 . . . . 42.14 110.98 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . 0.677 ' CE1' ' NH2' ' A' ' 14' ' ' ARG . 23.8 m-85 -62.23 145.82 52.54 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.564 0.802 . . . . 73.23 110.942 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.855 HD23 ' CD2' ' A' ' 95' ' ' TYR . 0.2 OUTLIER -84.62 147.13 27.13 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.407 1.067 . . . . 74.42 109.271 -179.958 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 50.4 m-85 -121.94 91.9 3.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 64.4 111.015 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.553 HG22 ' N ' ' A' ' 108' ' ' THR . 8.1 p -98.59 169.72 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.521 1.138 . . . . 71.32 109.345 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . 0.75 HG23 ' HB3' ' A' ' 34' ' ' GLU . 0.2 OUTLIER -148.18 134.95 19.98 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.428 1.08 . . . . 74.21 110.4 -179.905 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' TYR . . . . . 0.619 ' CE2' HD11 ' A' ' 41' ' ' ILE . 27.8 p90 -119.8 129.74 54.59 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.586 1.179 . . . . 63.54 110.991 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . 0.465 ' HB3' ' CB ' ' A' ' 36' ' ' ALA . 25.4 p -128.89 142.21 51.03 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.483 1.114 . . . . 73.5 110.024 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . 0.438 ' N ' HG21 ' A' ' 41' ' ' ILE . . . -63.81 -11.6 44.12 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.511 1.132 . . . . 54.34 110.998 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 20.6 pt-20 -111.54 161.88 15.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 0.766 . . . . 65.25 110.303 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 16.3 t-20 -117.07 42.41 2.53 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.132 . . . . 71.13 109.292 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . 0.512 HG22 ' H ' ' A' ' 115' ' ' PHE . 4.3 m -112.0 177.29 4.69 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.545 1.153 . . . . 73.22 110.292 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . 0.512 ' H ' HG22 ' A' ' 114' ' ' THR . 3.6 p90 -136.98 104.76 5.55 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.496 1.122 . . . . 74.33 111.047 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.963 0 O-C-N 124.464 1.103 . . . . 63.52 111.11 -179.857 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 597' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.027 0 N-CA-C 110.965 -0.854 . . . . 75.34 110.965 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 598' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 179.17 6.34 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.501 1.79 . . . . 62.55 111.009 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 599' ' ' HIS . . . . . 0.401 ' CD2' ' N ' ' B' ' 600' ' ' MET . 2.0 t-80 -75.15 140.34 43.3 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.46 1.1 . . . . 61.33 109.597 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 600' ' ' MET . . . . . 0.401 ' N ' ' CD2' ' B' ' 599' ' ' HIS . 20.9 mtm -144.15 162.83 35.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.135 . . . . 71.31 110.989 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 601' ' ' ILE . . . . . . . . . . . . . 18.5 mt -95.91 155.41 3.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.547 1.155 . . . . 72.44 109.246 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 602' ' ' SER . . . . . . . . . . . . . 5.2 m -64.15 -63.58 1.11 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 55.44 109.96 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 603' ' ' GLY . . . . . 0.484 ' O ' ' C ' ' B' ' 604' ' ' LEU . . . 48.76 -155.96 1.44 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.553 1.158 . . . . 71.31 111.008 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 604' ' ' LEU . . . . . 0.484 ' C ' ' O ' ' B' ' 603' ' ' GLY . 0.2 OUTLIER 34.02 37.55 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.56 0.8 . . . . 63.33 109.313 179.978 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 605' ' ' SER . . . . . 0.455 ' N ' ' O ' ' B' ' 603' ' ' GLY . 54.7 p -87.31 -15.84 36.84 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.13 . . . . 73.05 110.003 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 606' ' ' VAL . . . . . . . . . . . . . 67.0 t -93.81 156.14 3.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 74.11 109.318 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 607' ' ' ILE . . . . . . . . . . . . . 18.8 mt -76.94 154.36 5.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.418 1.074 . . . . 71.45 109.265 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 608' ' ' LYS . . . . . 0.517 ' CD ' ' N ' ' B' ' 608' ' ' LYS . 0.0 OUTLIER -172.77 139.69 0.92 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.557 1.16 . . . . 71.52 109.291 -179.977 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 609' ' ' GLN . . . . . 0.442 ' N ' ' CD ' ' B' ' 609' ' ' GLN . 2.7 mp0 -115.93 127.86 55.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.552 1.157 . . . . 75.51 110.368 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 610' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -84.75 -178.96 7.0 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.474 1.109 . . . . 74.31 110.29 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 611' ' ' VAL . . . . . 0.659 HG22 ' OE1' ' A' ' 8' ' ' GLU . 37.8 t -133.5 134.05 57.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.432 1.082 . . . . 74.53 109.29 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 612' ' ' GLU . . . . . 0.433 ' HG3' ' CG ' ' B' ' 613' ' ' ARG . 7.2 pt-20 -130.93 -53.92 1.05 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.584 1.178 . . . . 72.22 110.357 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 613' ' ' ARG . . . . . 0.433 ' CG ' ' HG3' ' B' ' 612' ' ' GLU . 0.6 OUTLIER -137.37 -45.3 0.55 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.137 . . . . 71.31 110.307 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 614' ' ' LEU . . . . . 0.685 HD21 ' CZ3' ' B' ' 621' ' ' TRP . 5.0 mp -84.96 179.36 7.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 75.01 109.323 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 615' ' ' GLY . . . . . 0.416 ' N ' ' HG3' ' B' ' 620' ' ' GLU . . . -177.48 -116.99 0.5 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.506 1.129 . . . . 55.23 111.009 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 616' ' ' ASN . . . . . 0.404 ' C ' ' O ' ' B' ' 615' ' ' GLY . 8.6 t30 -39.7 -87.73 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.508 0.77 . . . . 73.32 109.285 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 617' ' ' ASP . . . . . 0.436 ' N ' ' OE2' ' B' ' 620' ' ' GLU . 19.8 t0 -67.92 169.42 9.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 64.21 109.271 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 618' ' ' VAL . . . . . 1.001 HG11 ' OE1' ' A' ' 17' ' ' GLU . 4.1 m -89.74 15.86 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.427 1.079 . . . . 73.24 109.332 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 619' ' ' PHE . . . . . 0.575 ' CD1' ' O ' ' B' ' 618' ' ' VAL . 34.0 m-85 -151.54 90.94 1.61 Allowed 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.45 1.094 . . . . 72.23 110.966 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 620' ' ' GLU . . . . . 0.502 ' CG ' ' HA ' ' B' ' 614' ' ' LEU . 0.7 OUTLIER -112.99 -0.18 14.85 Favored 'General case' 0 C--N 1.327 -0.394 0 O-C-N 124.44 1.088 . . . . 53.42 110.315 179.961 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 621' ' ' TRP . . . . . 0.685 ' CZ3' HD21 ' B' ' 614' ' ' LEU . 5.4 p90 -113.7 -168.77 1.39 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.564 1.165 . . . . 73.32 107.934 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 622' ' ' GLU . . . . . 0.586 ' O ' ' CD1' ' B' ' 621' ' ' TRP . 1.2 pm0 -75.47 140.26 42.75 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.599 1.187 . . . . 64.15 110.358 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 623' ' ' ASP . . . . . 0.447 ' CB ' ' O ' ' B' ' 622' ' ' GLU . 2.8 m-20 77.51 91.81 0.07 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.552 1.158 . . . . 72.32 109.342 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 624' ' ' ASP . . . . . 0.469 ' CG ' ' N ' ' B' ' 625' ' ' GLU . 0.9 OUTLIER -89.49 -48.65 7.18 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.466 1.104 . . . . 63.21 109.279 -179.926 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 625' ' ' GLU . . . . . 0.469 ' N ' ' CG ' ' B' ' 624' ' ' ASP . 0.8 OUTLIER -127.86 3.23 6.0 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.489 1.118 . . . . 75.1 110.327 179.982 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 626' ' ' SER . . . . . 0.492 ' O ' HD11 ' B' ' 629' ' ' ILE . 0.2 OUTLIER -35.15 151.17 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.607 1.192 . . . . 72.44 109.937 -179.967 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 627' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -87.05 13.34 9.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 61.45 109.255 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 628' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -82.54 -0.38 46.45 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.547 1.154 . . . . 70.04 110.274 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 629' ' ' ILE . . . . . 0.492 HD11 ' O ' ' B' ' 626' ' ' SER . 1.1 pp -103.42 15.07 6.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.456 1.097 . . . . 61.41 109.327 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 630' ' ' ALA . . . . . 1.038 ' HB1' HD23 ' A' ' 55' ' ' LEU . . . . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 73.25 109.268 -179.996 . . . . . . . . 1 1 . 1 stop_ save_