data_1fmm_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 1fmm _Structure_validation_residue.Date_analyzed 2016-10-06 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig full ' S' S ' 1' ' ' GLN . . . . . 0.597 ' H2 ' ' CB ' ' S' ' 130' ' ' SER . 4.6 pt20 . . . . . 0 CA--C 1.566 1.579 0 N-CA-C 117.178 2.288 . . . . 6.9699999999999998 117.178 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' S' S ' 2' ' ' LYS . . . . . 0.466 ' H ' ' HD2' ' S' ' 3' ' ' PRO . 16.1 mmtt -173.36 -37.33 0.0 OUTLIER Pre-proline 0 CA--C 1.569 1.692 0 C-N-CA 126.86 2.064 . . . . 4.4500000000000002 114.048 -156.793 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' S' S ' 3' ' ' PRO . . . . . 0.466 ' HD2' ' H ' ' S' ' 2' ' ' LYS . 57.0 Cg_endo -77.79 -166.8 0.42 Allowed 'Trans proline' 0 C--N 1.372 1.798 0 N-CA-C 106.383 -2.199 . . . . 0.71999999999999997 106.383 172.911 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' S' S ' 4' ' ' LYS . . . . . 0.438 ' CB ' ' O ' ' S' ' 127' ' ' LEU . 0.0 OUTLIER 161.06 126.16 0.0 OUTLIER 'General case' 0 C--O 1.212 -0.886 0 N-CA-C 106.687 -1.598 . . . . 2.5899999999999999 106.687 -173.039 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' S' S ' 5' ' ' LEU . . . . . 0.493 HD12 ' CD1' ' S' ' 34' ' ' ILE . 0.2 OUTLIER -66.5 172.21 4.3 Favored 'General case' 0 C--N 1.303 -1.453 0 N-CA-C 108.224 -1.028 . . . . 1.5600000000000001 108.224 179.768 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' S' S ' 6' ' ' LEU . . . . . 0.545 ' CB ' ' HB2' ' S' ' 15' ' ' LEU . 0.8 OUTLIER -111.96 77.84 1.08 Allowed 'General case' 0 N--CA 1.474 0.76 0 CA-C-O 124.369 2.033 . . . . 2.1200000000000001 111.82 179.599 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' S' S ' 7' ' ' TYR . . . . . 0.553 ' HB3' ' CB ' ' S' ' 125' ' ' LEU . 14.4 t80 -67.3 170.8 6.66 Favored 'General case' 0 C--O 1.209 -1.075 0 C-N-CA 117.179 -1.809 . . . . 2.25 110.477 -171.564 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' S' S ' 8' ' ' CYS . . . . . 0.596 ' CB ' HG22 ' S' ' 103' ' ' ILE 0.261 41.8 t -144.56 158.0 43.96 Favored 'General case' 0 CA--C 1.489 -1.4 0 CA-C-O 124.056 1.884 . . . . 1.9199999999999999 113.02 172.572 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' S' S ' 9' ' ' SER . . . . . 0.511 ' CB ' ' HG2' ' S' ' 120' ' ' LYS . 74.4 m -79.4 0.87 27.45 Favored 'General case' 0 N--CA 1.441 -0.908 0 CA-C-N 108.406 -3.997 . . . . 1.3700000000000001 112.522 179.61 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' S' S ' 10' ' ' ASN . . . . . 0.668 ' O ' ' CG ' ' S' ' 104' ' ' LYS . 3.9 m-20 -95.26 54.48 1.64 Allowed 'General case' 0 C--O 1.205 -1.247 0 C-N-CA 117.803 -1.559 . . . . 1.79 108.491 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' S' S ' 11' ' ' GLY . . . . . . . . . . . . . . . 131.52 -34.74 2.53 Favored Glycine 0 CA--C 1.493 -1.339 0 C-N-CA 113.938 -3.982 . . . . 0.57999999999999996 111.034 -179.83 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' S' S ' 12' ' ' GLY . . . . . . . . . . . . . . . 79.18 59.97 2.63 Favored Glycine 0 N--CA 1.44 -1.07 0 O-C-N 127.68 2.635 . . . . 0.51000000000000001 110.544 178.374 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' S' S ' 13' ' ' TYR . . . . . 0.461 ' HB2' ' CD1' ' S' ' 103' ' ' ILE . 29.5 m-85 -126.13 156.05 40.69 Favored 'General case' 0 CA--C 1.539 0.53 0 N-CA-C 106.478 -1.675 . . . . 2.3399999999999999 106.478 172.486 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' S' S ' 14' ' ' PHE . . . . . 0.462 ' HB2' ' O ' ' S' ' 26' ' ' THR . 41.9 m-85 -91.46 129.82 37.39 Favored 'General case' 0 CA--C 1.506 -0.727 0 O-C-N 126.006 2.066 . . . . 2.2400000000000002 112.99 -175.076 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' S' S ' 15' ' ' LEU . . . . . 0.545 ' HB2' ' CB ' ' S' ' 6' ' ' LEU . 5.3 mt -83.37 137.36 33.98 Favored 'General case' 0 CA--C 1.484 -1.593 0 C-N-CA 114.272 -2.971 . . . . 2.04 110.937 172.718 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' S' S ' 16' ' ' ARG . . . . . 0.447 ' HA ' HD22 ' S' ' 36' ' ' LEU . 2.0 ppt_? -157.55 -170.32 3.17 Favored 'General case' 0 N--CA 1.398 -3.057 2 CA-C-N 105.553 -5.294 . . . . 2.4900000000000002 105.642 175.864 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' S' S ' 17' ' ' ILE . . . . . 0.549 ' CG1' ' HG ' ' S' ' 50' ' ' SER . 1.4 pp -138.73 128.03 31.14 Favored 'Isoleucine or valine' 0 N--CA 1.432 -1.331 0 O-C-N 126.827 2.579 . . . . 3.0600000000000001 106.275 175.15 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' S' S ' 18' ' ' PHE . . . . . 0.48 ' CB ' ' HD3' ' S' ' 19' ' ' PRO 0.308 0.5 OUTLIER -80.47 -106.89 0.0 OUTLIER Pre-proline 0 CA--C 1.555 1.164 0 C-N-CA 117.447 -1.701 . . . . 3.9900000000000002 109.796 175.158 . . . . . . . . 4 4 . 1 . 001 nuclear orig full ' S' S ' 19' ' ' PRO . . . . . 0.48 ' HD3' ' CB ' ' S' ' 18' ' ' PHE . 37.6 Cg_endo -85.27 -60.51 0.02 OUTLIER 'Trans proline' 0 C--N 1.369 1.65 0 CA-C-N 121.853 1.698 . . . . 3.8100000000000001 111.97 -164.413 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' S' S ' 20' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -82.09 26.55 0.52 Allowed 'General case' 0 C--O 1.221 -0.395 0 CA-C-N 112.888 -1.96 . . . . 2.0499999999999998 110.888 -176.61 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' S' S ' 21' ' ' GLY . . . . . 0.526 ' HA2' ' CD1' ' S' ' 17' ' ' ILE . . . 60.52 10.53 17.74 Favored Glycine 0 CA--C 1.553 2.411 0 C-N-CA 115.425 -3.274 . . . . 1.24 115.872 -175.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' S' S ' 22' ' ' LYS . . . . . . . . . . . . . 9.9 mttt -67.74 116.62 8.64 Favored 'General case' 0 CA--C 1.482 -1.646 0 CA-C-N 114.16 -1.02 . . . . 3.0 108.83 178.553 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' S' S ' 23' ' ' VAL . . . . . 0.492 ' HB ' ' CG2' ' S' ' 109' ' ' THR . 6.1 t -80.31 158.36 4.38 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.9 0 C-N-CA 115.36 -2.536 . . . . 1.8799999999999999 106.799 -165.05 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' S' S ' 24' ' ' ASP . . . . . 0.474 ' CA ' ' H ' ' S' ' 108' ' ' LYS . 3.0 p30 -169.86 154.81 5.44 Favored 'General case' 0 C--O 1.202 -1.406 0 C-N-CA 116.475 -2.09 . . . . 1.8400000000000001 109.276 -173.816 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' S' S ' 25' ' ' GLY . . . . . 0.475 ' HA3' ' CD1' ' S' ' 103' ' ' ILE . . . -89.11 124.51 7.35 Favored Glycine 0 N--CA 1.439 -1.136 0 O-C-N 125.165 1.541 . . . . 0.64000000000000001 112.539 175.108 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' S' S ' 26' ' ' THR . . . . . 0.462 ' O ' ' HB2' ' S' ' 14' ' ' PHE . 5.7 t -131.06 102.48 6.04 Favored 'General case' 0 C--O 1.204 -1.301 0 O-C-N 126.466 1.921 . . . . 1.1699999999999999 107.255 -179.202 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' S' S ' 27' ' ' ARG . . . . . . . . . . . . . 10.5 ptt180 -66.74 2.1 1.53 Allowed 'General case' 0 CA--C 1.56 1.334 0 O-C-N 118.032 -2.918 . . . . 3.5600000000000001 113.661 177.255 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' S' S ' 28' ' ' ASP . . . . . 0.422 ' O ' ' HB2' ' S' ' 31' ' ' ASP . 1.8 m-20 -86.7 77.77 9.26 Favored 'General case' 0 C--O 1.207 -1.165 0 N-CA-C 106.687 -1.598 . . . . 1.3600000000000001 106.687 -177.604 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' S' S ' 29' ' ' ARG . . . . . 0.462 ' HB3' ' CE2' ' S' ' 14' ' ' PHE . 1.5 ptt180 -57.41 -22.11 40.92 Favored 'General case' 0 CA--C 1.55 0.967 0 C-N-CA 116.549 -2.06 . . . . 3.2200000000000002 115.425 178.44 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' S' S ' 30' ' ' SER . . . . . . . . . . . . . 29.6 m -66.42 -27.71 68.05 Favored 'General case' 0 N--CA 1.444 -0.735 0 O-C-N 126.888 2.618 . . . . 1.8200000000000001 111.811 -176.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' S' S ' 31' ' ' ASP . . . . . 0.505 ' HB3' ' CG1' ' S' ' 34' ' ' ILE . 1.0 OUTLIER -46.48 126.5 7.85 Favored Pre-proline 0 CA--C 1.564 1.507 0 O-C-N 124.961 1.413 . . . . 1.6200000000000001 107.768 -176.341 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' S' S ' 32' ' ' PRO . . . . . . . . . . . . . 27.7 Cg_endo -70.61 9.59 0.72 Allowed 'Trans proline' 0 C--N 1.35 0.625 0 C-N-CA 121.731 1.621 . . . . 1.9199999999999999 114.197 -169.511 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' S' S ' 33' ' ' TYR . . . . . 0.536 ' CG ' HD22 ' S' ' 51' ' ' LEU . 0.1 OUTLIER -167.54 58.66 0.07 Allowed 'General case' 0 N--CA 1.423 -1.797 0 O-C-N 126.421 2.325 . . . . 2.75 107.693 -172.244 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' S' S ' 34' ' ' ILE . . . . . 0.505 ' CG1' ' HB3' ' S' ' 31' ' ' ASP . 2.8 pp -135.03 21.61 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.346 0.425 0 C-N-CA 117.379 -1.728 . . . . 1.8 112.204 167.384 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' S' S ' 35' ' ' GLN . . . . . 0.48 ' HA ' ' CD2' ' S' ' 5' ' ' LEU . 7.2 mt-30 -73.12 173.08 9.9 Favored 'General case' 0 N--CA 1.45 -0.45 0 C-N-CA 116.662 -2.015 . . . . 2.3300000000000001 109.788 177.806 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' S' S ' 36' ' ' LEU . . . . . 0.484 HD12 ' CD2' ' S' ' 6' ' ' LEU . 0.2 OUTLIER -154.41 -167.79 2.73 Favored 'General case' 0 CA--C 1.553 1.087 1 O-C-N 129.553 4.283 . . . . 1.8600000000000001 105.887 177.562 . . . . . . . . 4 4 . 1 . 001 nuclear orig full ' S' S ' 37' ' ' GLN . . . . . 0.629 ' O ' ' CG2' ' S' ' 48' ' ' ILE 0.279 20.0 tt0 -168.84 132.78 1.45 Allowed 'General case' 0 C--O 1.192 -1.967 0 CA-C-O 112.58 -3.581 . . . . 2.4300000000000002 103.635 -179.947 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' S' S ' 38' ' ' PHE . . . . . 0.472 ' HA ' HG23 ' S' ' 48' ' ' ILE . 0.1 OUTLIER -110.79 104.08 12.67 Favored 'General case' 0 CA--C 1.514 -0.436 0 O-C-N 127.282 2.864 . . . . 2.5800000000000001 107.858 173.143 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' S' S ' 39' ' ' TYR . . . . . 0.474 ' CD1' ' HG2' ' S' ' 37' ' ' GLN . 3.3 m-85 -131.45 160.2 35.86 Favored 'General case' 0 N--CA 1.441 -0.911 0 N-CA-C 102.011 -3.329 . . . . 4.4400000000000004 102.011 173.591 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' S' S ' 40' ' ' ALA . . . . . 0.45 ' HA ' ' HA ' ' S' ' 46' ' ' VAL . . . -120.19 165.7 14.44 Favored 'General case' 0 CA--C 1.502 -0.894 0 O-C-N 125.102 1.501 . . . . 1.23 107.024 177.258 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' S' S ' 41' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -100.56 -70.4 0.74 Allowed 'General case' 0 C--N 1.348 0.53 0 O-C-N 127.029 2.705 . . . . 2.2799999999999998 108.332 -177.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' S' S ' 42' ' ' SER . . . . . 0.402 ' O ' ' HB ' ' S' ' 43' ' ' VAL . 0.2 OUTLIER -165.2 142.47 5.89 Favored 'General case' 0 C--O 1.213 -0.861 0 N-CA-C 104.112 -2.551 . . . . 1.51 104.112 177.968 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' S' S ' 43' ' ' VAL . . . . . 0.433 ' CG1' ' H ' ' S' ' 44' ' ' GLY 0.38 53.6 t 107.72 -118.06 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.478 0.934 0 C-N-CA 124.426 1.091 . . . . 1.73 110.496 179.095 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' S' S ' 44' ' ' GLY . . . . . 0.433 ' H ' ' CG1' ' S' ' 43' ' ' VAL . . . -142.33 7.01 2.27 Favored Glycine 0 C--O 1.229 -0.195 0 N-CA-C 108.377 -1.889 . . . . 0.93999999999999995 108.377 -179.271 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' S' S ' 45' ' ' GLU . . . . . 0.477 ' CA ' ' O ' ' S' ' 77' ' ' PHE . 0.0 OUTLIER -100.86 159.5 15.14 Favored 'General case' 0 N--CA 1.434 -1.272 0 CA-C-N 113.055 -1.572 . . . . 2.2400000000000002 106.76 179.612 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' S' S ' 46' ' ' VAL . . . . . 0.45 ' HA ' ' HA ' ' S' ' 40' ' ' ALA . 0.9 OUTLIER -135.79 173.13 14.55 Favored 'Isoleucine or valine' 0 CA--C 1.492 -1.271 0 C-N-CA 117.597 -1.641 . . . . 1.79 109.184 -174.294 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' S' S ' 47' ' ' TYR . . . . . 0.537 ' CE1' ' HB3' ' S' ' 56' ' ' TYR . 0.1 OUTLIER -129.28 114.84 16.75 Favored 'General case' 0 N--CA 1.439 -0.984 0 O-C-N 125.864 1.977 . . . . 3.4199999999999999 112.888 165.638 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' S' S ' 48' ' ' ILE . . . . . 0.629 ' CG2' ' O ' ' S' ' 37' ' ' GLN 0.252 0.0 OUTLIER -81.97 -175.23 0.23 Allowed 'Isoleucine or valine' 0 CA--C 1.569 1.685 0 CA-C-N 114.067 -1.424 . . . . 1.45 110.14 177.488 . . . . . . . . 4 4 . 1 . 001 nuclear orig full ' S' S ' 49' ' ' LYS . . . . . 0.563 ' CE ' ' HA2' ' S' ' 54' ' ' GLY . 8.5 tptt -132.27 151.17 51.95 Favored 'General case' 0 CA--C 1.487 -1.451 0 N-CA-C 105.523 -2.029 . . . . 2.6600000000000001 105.523 177.8 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' S' S ' 50' ' ' SER . . . . . 0.549 ' HG ' ' CG1' ' S' ' 17' ' ' ILE . 0.0 OUTLIER -109.53 127.63 54.6 Favored 'General case' 0 N--CA 1.426 -1.646 0 N-CA-C 103.38 -2.822 . . . . 2.23 103.38 171.889 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' S' S ' 51' ' ' LEU . . . . . 0.558 ' HB2' ' HG1' ' S' ' 53' ' ' THR . 7.9 mt 62.89 172.38 0.15 Allowed 'General case' 0 CA--C 1.558 1.266 0 CA-C-O 123.344 1.545 . . . . 3.2999999999999998 110.175 172.192 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' S' S ' 52' ' ' GLU . . . . . 0.532 ' C ' ' H ' ' S' ' 54' ' ' GLY . 12.4 pt-20 -73.51 -12.89 60.93 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 117.62 -1.632 . . . . 2.29 111.774 170.171 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' S' S ' 53' ' ' THR . . . . . 0.558 ' HG1' ' HB2' ' S' ' 51' ' ' LEU . 71.2 p -66.82 8.23 0.29 Allowed 'General case' 0 C--N 1.357 0.92 0 O-C-N 124.87 1.356 . . . . 1.5600000000000001 114.053 -174.009 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' S' S ' 54' ' ' GLY . . . . . 0.563 ' HA2' ' CE ' ' S' ' 49' ' ' LYS . . . 55.76 51.25 56.34 Favored Glycine 0 N--CA 1.412 -2.964 0 CA-C-N 112.891 -1.959 . . . . 1.3899999999999999 114.501 -176.708 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' S' S ' 55' ' ' GLN . . . . . 0.539 ' HB2' ' CB ' ' S' ' 50' ' ' SER . 4.2 mt-30 -87.97 -147.85 0.15 Allowed 'General case' 0 CA--C 1.55 0.948 0 CA-C-N 112.129 -2.035 . . . . 1.96 106.68 167.211 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' S' S ' 56' ' ' TYR . . . . . 0.537 ' HB3' ' CE1' ' S' ' 47' ' ' TYR 0.356 58.1 m-85 -150.0 -157.77 0.85 Allowed 'General case' 0 CA--C 1.563 1.48 0 CA-C-N 114.489 -1.232 . . . . 3.0099999999999998 108.552 -168.158 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' S' S ' 57' ' ' LEU . . . . . 0.457 ' CD1' HG22 ' S' ' 23' ' ' VAL . 36.3 tp -150.59 138.01 19.6 Favored 'General case' 0 CA--C 1.559 1.293 0 N-CA-C 106.803 -1.554 . . . . 2.1299999999999999 106.803 161.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' S' S ' 58' ' ' ALA . . . . . . . . . . . . . . . -147.46 148.52 31.34 Favored 'General case' 0 C--N 1.368 1.403 0 CA-C-N 119.379 0.991 . . . . 1.1799999999999999 108.82 178.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' S' S ' 59' ' ' MET . . . . . 0.664 ' SD ' ' CB ' ' S' ' 99' ' ' TRP . 14.5 ttp -71.87 124.91 25.87 Favored 'General case' 0 CA--C 1.507 -0.679 0 C-N-CA 117.534 -1.666 . . . . 2.6800000000000002 110.28 167.086 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' S' S ' 60' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -49.81 142.18 9.15 Favored 'General case' 0 C--N 1.347 0.459 0 CA-C-N 111.229 -2.714 . . . . 2.0800000000000001 108.563 169.702 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' S' S ' 61' ' ' SER . . . . . . . . . . . . . 11.6 p -73.08 71.99 1.15 Allowed 'General case' 0 CA--C 1.543 0.706 0 O-C-N 125.017 1.448 . . . . 2.6899999999999999 111.475 -168.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' S' S ' 62' ' ' ASP . . . . . . . . . . . . . 6.8 t70 179.65 -54.24 0.01 OUTLIER 'General case' 0 CA--C 1.536 0.423 0 CA-C-N 112.541 -2.118 . . . . 3.1899999999999999 106.239 -171.083 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' S' S ' 63' ' ' GLY . . . . . 0.423 ' HA3' ' CZ3' ' S' ' 99' ' ' TRP . . . 156.92 -16.29 0.37 Allowed Glycine 0 C--N 1.345 1.034 0 C-N-CA 115.354 -3.308 . . . . 0.89000000000000001 115.978 -170.702 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' S' S ' 64' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -69.57 -178.08 1.36 Allowed 'General case' 0 C--O 1.206 -1.193 0 CA-C-N 114.514 -0.843 . . . . 2.4300000000000002 109.496 174.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' S' S ' 65' ' ' LEU . . . . . 0.404 ' HG ' ' CG2' ' S' ' 23' ' ' VAL . 13.6 tp -126.48 124.24 39.63 Favored 'General case' 0 CA--C 1.559 1.297 0 N-CA-C 104.521 -2.4 . . . . 2.3599999999999999 104.521 174.376 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' S' S ' 66' ' ' TYR . . . . . 0.542 ' CE2' ' O ' ' S' ' 67' ' ' ALA . 0.4 OUTLIER -124.37 163.5 21.6 Favored 'General case' 0 CA--C 1.544 0.736 0 N-CA-C 106.993 -1.484 . . . . 2.2999999999999998 106.993 176.997 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' S' S ' 67' ' ' ALA . . . . . 0.542 ' O ' ' CE2' ' S' ' 66' ' ' TYR . . . -69.8 131.31 44.3 Favored 'General case' 0 C--O 1.199 -1.586 0 N-CA-C 107.323 -1.362 . . . . 1.3500000000000001 107.323 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' S' S ' 68' ' ' SER . . . . . 0.527 ' HG ' ' HB3' ' S' ' 75' ' ' CYS . 2.6 t -76.7 146.93 37.73 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 114.518 -2.873 . . . . 2.0699999999999998 104.215 -179.346 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' S' S ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -112.75 -48.26 3.01 Favored 'General case' 0 N--CA 1.445 -0.708 0 O-C-N 126.925 2.641 . . . . 3.2400000000000002 110.722 168.178 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' S' S ' 70' ' ' SER . . . . . 0.467 ' O ' ' SG ' ' S' ' 75' ' ' CYS . 0.1 OUTLIER -95.68 157.15 36.52 Favored Pre-proline 0 C--N 1.341 0.22 0 CA-C-N 114.132 -1.395 . . . . 3.0499999999999998 107.821 -174.77 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' S' S ' 71' ' ' PRO . . . . . 0.424 ' HA ' ' HH ' ' S' ' 47' ' ' TYR . 74.3 Cg_endo -70.91 -127.7 0.01 OUTLIER 'Trans proline' 0 C--N 1.374 1.891 0 N-CA-C 104.607 -2.882 . . . . 3.3100000000000001 104.607 172.909 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' S' S ' 72' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER 63.58 145.25 0.02 OUTLIER 'General case' 0 CA--C 1.554 1.13 0 CA-C-O 123.955 1.836 . . . . 1.79 109.951 -170.286 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' S' S ' 73' ' ' GLU . . . . . 0.49 ' HA ' ' CD1' ' S' ' 76' ' ' LEU . 7.6 pt-20 -44.5 -38.5 4.17 Favored 'General case' 0 CA--C 1.549 0.908 0 N-CA-C 118.087 2.625 . . . . 2.27 118.087 178.445 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' S' S ' 74' ' ' GLU . . . . . . . . . . . . . 52.7 mt-10 -48.46 -40.67 27.13 Favored 'General case' 0 CA--C 1.542 0.67 0 CA-C-O 123.271 1.51 . . . . 2.1299999999999999 111.784 176.753 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' S' S ' 75' ' ' CYS . . . . . 0.527 ' HB3' ' HG ' ' S' ' 68' ' ' SER . 39.2 m -94.93 49.17 1.22 Allowed 'General case' 0 N--CA 1.436 -1.125 0 CA-C-N 110.23 -3.168 . . . . 2.48 112.415 175.347 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' S' S ' 76' ' ' LEU . . . . . 0.669 ' O ' ' CD1' ' S' ' 77' ' ' PHE . 96.0 mt -114.52 -162.0 0.8 Allowed 'General case' 0 CA--C 1.477 -1.829 1 CA-C-O 110.95 -4.357 . . . . 2.3900000000000001 101.866 161.855 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' S' S ' 77' ' ' PHE . . . . . 0.669 ' CD1' ' O ' ' S' ' 76' ' ' LEU . 7.9 m-30 -169.77 -166.17 0.55 Allowed 'General case' 0 C--O 1.195 -1.808 0 C-N-CA 131.431 3.892 . . . . 2.2599999999999998 111.798 -173.835 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' S' S ' 78' ' ' LEU . . . . . 0.626 ' CD2' ' CE1' ' S' ' 100' ' ' PHE . 0.2 OUTLIER -118.43 169.72 9.52 Favored 'General case' 0 C--N 1.361 1.076 0 CA-C-N 120.941 1.701 . . . . 2.0 106.664 -178.791 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' S' S ' 79' ' ' GLU . . . . . . . . . . . . . 10.9 tt0 -136.88 103.26 5.12 Favored 'General case' 0 N--CA 1.438 -1.032 0 O-C-N 126.369 2.293 . . . . 1.77 108.851 178.032 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' S' S ' 80' ' ' ARG . . . . . 0.489 ' HB2' ' OG1' ' S' ' 88' ' ' THR . 1.3 mtp85 -142.93 107.69 4.87 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-N 113.423 -1.717 . . . . 3.8599999999999999 107.492 170.298 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' S' S ' 81' ' ' LEU . . . . . 0.472 ' HG ' ' OD1' ' S' ' 87' ' ' ASN . 0.0 OUTLIER -106.49 127.04 52.99 Favored 'General case' 0 N--CA 1.441 -0.89 0 N-CA-C 103.145 -2.909 . . . . 1.72 103.145 169.188 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' S' S ' 82' ' ' GLU . . . . . 0.472 ' CG ' ' H ' ' S' ' 83' ' ' GLU . 3.6 pt-20 -39.27 -114.27 0.0 OUTLIER 'General case' 0 CA--C 1.563 1.463 0 O-C-N 126.559 2.412 . . . . 2.2400000000000002 114.113 167.051 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' S' S ' 83' ' ' GLU . . . . . 0.472 ' H ' ' CG ' ' S' ' 82' ' ' GLU . 1.3 mt-10 -79.03 -81.87 0.1 Allowed 'General case' 0 CA--C 1.542 0.654 0 CA-C-N 114.897 -1.047 . . . . 2.3799999999999999 109.337 169.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' S' S ' 84' ' ' ASN . . . . . 0.466 ' HA ' ' CD1' ' S' ' 81' ' ' LEU . 4.6 t30 -162.43 94.23 0.88 Allowed 'General case' 0 C--N 1.344 0.351 0 C-N-CA 119.084 -1.046 . . . . 3.27 110.041 -177.536 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' S' S ' 85' ' ' ASN . . . . . 0.459 ' H ' HD23 ' S' ' 81' ' ' LEU . 28.9 t-20 -177.03 -53.84 0.01 OUTLIER 'General case' 0 CA--C 1.561 1.402 0 O-C-N 124.266 0.979 . . . . 1.99 112.833 -179.373 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' S' S ' 86' ' ' TYR . . . . . 0.407 ' N ' ' CD1' ' S' ' 86' ' ' TYR . 0.1 OUTLIER -150.82 147.2 26.97 Favored 'General case' 0 C--N 1.358 0.946 0 CA-C-O 121.974 0.892 . . . . 2.3100000000000001 109.794 -170.417 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' S' S ' 87' ' ' ASN . . . . . 0.472 ' OD1' ' HG ' ' S' ' 81' ' ' LEU . 3.1 m-20 -131.65 141.41 49.6 Favored 'General case' 0 CA--C 1.486 -1.491 0 N-CA-C 105.186 -2.153 . . . . 2.77 105.186 -164.449 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' S' S ' 88' ' ' THR . . . . . 0.489 ' OG1' ' HB2' ' S' ' 80' ' ' ARG 0.292 0.0 OUTLIER -36.03 -97.63 0.0 OUTLIER 'General case' 0 CA--C 1.573 1.858 0 O-C-N 126.71 2.506 . . . . 1.3500000000000001 112.29 172.641 . . . . . . . . 4 4 . 1 . 001 nuclear orig full ' S' S ' 89' ' ' TYR . . . . . 0.487 ' HB2' HG13 ' S' ' 101' ' ' VAL . 32.3 m-85 90.54 169.59 0.03 OUTLIER 'General case' 0 N--CA 1.485 1.297 0 C-N-CA 127.151 2.181 . . . . 2.1499999999999999 113.287 -174.517 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' S' S ' 90' ' ' LYS . . . . . 0.629 ' CB ' ' HB ' ' S' ' 101' ' ' VAL . 5.9 tttm 63.53 144.65 0.02 OUTLIER 'General case' 0 C--O 1.204 -1.301 0 CA-C-N 111.48 -2.6 . . . . 5.1900000000000004 108.796 -167.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' S' S ' 91' ' ' SER . . . . . 0.476 ' O ' ' CG ' ' S' ' 92' ' ' LYS . 0.6 OUTLIER 158.03 -145.16 0.0 OUTLIER 'General case' 0 C--N 1.308 -1.234 0 N-CA-C 101.535 -3.506 . . . . 3.1000000000000001 101.535 179.803 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' S' S ' 92' ' ' LYS . . . . . 0.476 ' CG ' ' O ' ' S' ' 91' ' ' SER . 0.0 OUTLIER -169.81 -94.37 0.01 OUTLIER 'General case' 0 N--CA 1.437 -1.094 0 N-CA-C 100.827 -3.768 . . . . 2.9500000000000002 100.827 179.418 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' S' S ' 93' ' ' VAL . . . . . . . . . . . . . 2.1 t -115.45 -70.32 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.348 0.53 0 CA-C-O 125.795 2.712 . . . . 2.4900000000000002 107.5 -178.501 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' S' S ' 94' ' ' HIS . . . . . . . . . . . . . 2.3 m80 -60.33 160.64 8.28 Favored 'General case' 0 N--CA 1.442 -0.855 0 CA-C-N 111.53 -2.577 . . . . 6.0800000000000001 110.107 179.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' S' S ' 95' ' ' ALA . . . . . 0.4 ' O ' ' N ' ' S' ' 97' ' ' LYS . . . -82.5 -58.52 2.88 Favored 'General case' 0 CA--C 1.506 -0.74 0 CA-C-N 110.191 -3.186 . . . . 3.8199999999999998 106.637 178.703 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' S' S ' 96' ' ' ASP . . . . . 0.462 ' CG ' ' N ' ' S' ' 97' ' ' LYS . 0.0 OUTLIER 39.97 -92.16 0.01 OUTLIER 'General case' 0 C--N 1.36 1.023 0 O-C-N 127.121 2.763 . . . . 5.0899999999999999 107.333 -170.534 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' S' S ' 97' ' ' LYS . . . . . 0.466 ' HE2' ' CA ' ' S' ' 98' ' ' ASP . 0.0 OUTLIER 140.62 -14.56 0.0 OUTLIER 'General case' 0 N--CA 1.428 -1.535 0 C-N-CA 128.31 2.644 . . . . 6.1799999999999997 111.024 166.156 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' S' S ' 98' ' ' ASP . . . . . 0.466 ' CA ' ' HE2' ' S' ' 97' ' ' LYS . 0.8 OUTLIER -57.96 -5.74 0.47 Allowed 'General case' 0 CA--C 1.5 -0.977 0 C-N-CA 126.123 1.769 . . . . 5.2199999999999998 113.231 -170.65 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' S' S ' 99' ' ' TRP . . . . . 0.664 ' CB ' ' SD ' ' S' ' 59' ' ' MET . 65.1 m95 -150.74 69.25 0.97 Allowed 'General case' 0 N--CA 1.427 -1.612 0 CA-C-O 123.675 1.703 . . . . 3.1000000000000001 106.777 -176.1 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' S' S ' 100' ' ' PHE . . . . . 0.626 ' CE1' ' CD2' ' S' ' 78' ' ' LEU . 0.2 OUTLIER -108.32 167.83 9.74 Favored 'General case' 0 CA--C 1.547 0.84 0 CA-C-N 113.144 -1.844 . . . . 2.98 106.567 176.868 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' S' S ' 101' ' ' VAL . . . . . 0.629 ' HB ' ' CB ' ' S' ' 90' ' ' LYS . 5.0 p -86.7 147.66 5.19 Favored 'Isoleucine or valine' 0 CA--C 1.501 -0.915 0 N-CA-C 103.026 -2.953 . . . . 1.8300000000000001 103.026 -159.877 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' S' S ' 102' ' ' GLY . . . . . 0.49 ' HA2' ' O ' ' S' ' 121' ' ' ALA . . . -155.47 163.17 31.49 Favored Glycine 1 CA--C 1.431 -5.216 1 C-N-CA 109.772 -5.966 . . . . 0.91000000000000003 107.469 156.164 . . . . . . . . 4 3 . 1 . 001 nuclear orig full ' S' S ' 103' ' ' ILE . . . . . 0.596 HG22 ' CB ' ' S' ' 8' ' ' CYS . 0.0 OUTLIER -131.63 158.93 43.37 Favored 'Isoleucine or valine' 0 CA--C 1.456 -2.637 0 N-CA-C 104.63 -2.359 . . . . 1.8700000000000001 104.63 173.568 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' S' S ' 104' ' ' LYS . . . . . 0.668 ' CG ' ' O ' ' S' ' 10' ' ' ASN . 0.0 OUTLIER 173.03 -171.39 0.04 OUTLIER 'General case' 0 N--CA 1.429 -1.482 0 N-CA-C 103.255 -2.869 . . . . 3.8399999999999999 103.255 165.396 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' S' S ' 105' ' ' LYS . . . . . 0.525 ' HG2' ' CD ' ' S' ' 104' ' ' LYS 0.25 0.1 OUTLIER 110.39 -62.89 0.0 OUTLIER 'General case' 0 CA--C 1.487 -1.444 0 CA-C-N 110.702 -2.954 . . . . 5.6699999999999999 105.526 150.82 . . . . . . . . 4 4 . 1 . 001 nuclear orig full ' S' S ' 106' ' ' ASN . . . . . 0.435 ' HA ' ' CE2' ' S' ' 13' ' ' TYR . 3.4 p-10 167.62 5.25 0.0 OUTLIER 'General case' 0 C--O 1.213 -0.827 1 O-C-N 129.925 4.516 . . . . 4.4800000000000004 110.597 175.471 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' S' S ' 107' ' ' GLY . . . . . . . . . . . . . . . 134.97 99.43 0.61 Allowed Glycine 0 C--N 1.345 1.078 0 N-CA-C 107.253 -2.339 . . . . 3.0899999999999999 107.253 -167.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' S' S ' 108' ' ' LYS . . . . . 0.474 ' H ' ' CA ' ' S' ' 24' ' ' ASP . 0.1 OUTLIER 142.15 -0.17 0.0 OUTLIER 'General case' 0 N--CA 1.486 1.364 0 C-N-CA 126.646 1.978 . . . . 4.1100000000000003 115.279 177.556 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' S' S ' 109' ' ' THR . . . . . 0.521 ' HA ' ' HA ' ' S' ' 103' ' ' ILE 0.307 0.2 OUTLIER 63.5 -154.51 0.32 Allowed 'General case' 0 N--CA 1.435 -1.191 0 CA-C-O 123.818 1.77 . . . . 2.0 112.025 178.222 . . . . . . . . 4 4 . 1 . 001 nuclear orig full ' S' S ' 110' ' ' LYS . . . . . 0.453 ' N ' ' OG1' ' S' ' 109' ' ' THR . 2.4 mmmp? -123.47 95.35 45.29 Favored Pre-proline 0 N--CA 1.422 -1.832 0 C-N-CA 129.236 3.014 . . . . 2.6400000000000001 107.174 171.514 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' S' S ' 111' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo -70.73 97.75 0.74 Allowed 'Trans proline' 0 C--N 1.351 0.659 0 N-CA-C 102.743 -3.599 . . . . 1.97 102.743 175.764 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' S' S ' 112' ' ' GLY . . . . . . . . . . . . . . . 43.26 20.48 0.1 Allowed Glycine 0 CA--C 1.55 2.254 0 N-CA-C 117.395 1.718 . . . . 1.55 117.395 174.363 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' S' S ' 113' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -54.4 -59.1 5.14 Favored 'General case' 0 CA--C 1.547 0.837 0 N-CA-C 115.481 1.659 . . . . 2.3900000000000001 115.481 -157.835 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' S' S ' 114' ' ' ARG . . . . . . . . . . . . . 45.5 ttm-85 -166.8 83.19 0.25 Allowed 'General case' 0 CA--C 1.494 -1.177 0 N-CA-C 103.124 -2.917 . . . . 5.0899999999999999 103.124 176.604 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' S' S ' 115' ' ' THR . . . . . 0.512 HG21 ' CG2' ' S' ' 122' ' ' ILE 0.263 0.1 OUTLIER -90.73 173.83 7.81 Favored 'General case' 0 N--CA 1.416 -2.161 0 CA-C-N 110.496 -3.047 . . . . 2.2000000000000002 109.291 177.199 . . . . . . . . 4 4 . 1 . 001 nuclear orig full ' S' S ' 116' ' ' HIS . . . . . 0.418 ' O ' HD11 ' S' ' 122' ' ' ILE . 0.0 OUTLIER 164.41 87.75 0.0 OUTLIER 'General case' 0 C--N 1.355 0.806 0 O-C-N 125.757 1.911 . . . . 3.23 105.885 -163.866 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' S' S ' 117' ' ' PHE . . . . . 0.453 ' HA ' HD13 ' S' ' 122' ' ' ILE . 25.4 p90 -5.29 111.37 0.01 OUTLIER 'General case' 0 CA--C 1.593 2.629 0 O-C-N 125.131 1.519 . . . . 4.8899999999999997 112.899 165.706 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' S' S ' 118' ' ' GLY . . . . . . . . . . . . . . . 105.97 -34.78 5.5 Favored Glycine 0 CA--C 1.553 2.437 0 O-C-N 120.415 -1.428 . . . . 1.1899999999999999 115.015 -174.065 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' S' S ' 119' ' ' GLN . . . . . 0.413 ' O ' ' CG1' ' S' ' 122' ' ' ILE . 6.8 mm-40 -45.9 154.52 0.23 Allowed 'General case' 0 C--N 1.351 0.664 0 CA-C-O 124.812 2.244 . . . . 2.1400000000000001 111.959 170.357 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' S' S ' 120' ' ' LYS . . . . . 0.511 ' HG2' ' CB ' ' S' ' 9' ' ' SER . 2.2 mttt -66.47 -35.89 81.39 Favored 'General case' 0 CA--C 1.494 -1.192 0 CA-C-N 111.957 -2.383 . . . . 2.1299999999999999 112.353 176.577 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' S' S ' 121' ' ' ALA . . . . . 0.49 ' O ' ' HA2' ' S' ' 102' ' ' GLY . . . -44.82 -67.11 0.31 Allowed 'General case' 0 C--O 1.206 -1.206 0 O-C-N 125.817 1.948 . . . . 1.1399999999999999 107.279 -178.444 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' S' S ' 122' ' ' ILE . . . . . 0.587 ' CG2' ' HB3' ' S' ' 100' ' ' PHE 0.317 1.4 pt -44.12 -74.41 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.491 -1.294 0 O-C-N 127.163 2.79 . . . . 1.78 110.775 177.089 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' S' S ' 123' ' ' LEU . . . . . . . . . . . . . 5.8 mt -46.68 123.27 4.88 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 113.635 -1.62 . . . . 2.1699999999999999 114.238 -174.566 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' S' S ' 124' ' ' PHE . . . . . 0.587 ' CE2' ' CG1' ' S' ' 101' ' ' VAL . 7.8 m-30 -134.06 141.61 47.25 Favored 'General case' 0 N--CA 1.444 -0.745 0 CA-C-N 112.741 -2.027 . . . . 2.2999999999999998 111.222 -175.156 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' S' S ' 125' ' ' LEU . . . . . 0.553 ' CB ' ' HB3' ' S' ' 7' ' ' TYR . 0.1 OUTLIER -94.82 105.72 20.5 Favored Pre-proline 0 CA--C 1.566 1.571 0 CA-C-N 111.788 -2.46 . . . . 2.6000000000000001 110.562 -173.417 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' S' S ' 126' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -80.18 141.96 14.91 Favored 'Trans proline' 0 N--CA 1.451 -0.976 0 C-N-CA 123.071 2.514 . . . . 0.51000000000000001 109.519 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' S' S ' 127' ' ' LEU . . . . . 0.438 ' O ' ' CB ' ' S' ' 4' ' ' LYS . 0.9 OUTLIER -143.64 141.27 18.55 Favored Pre-proline 0 CA--C 1.509 -0.618 0 C-N-CA 118.381 -1.328 . . . . 1.21 110.085 -171.773 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' S' S ' 128' ' ' PRO . . . . . 0.478 ' O ' ' HB3' ' S' ' 130' ' ' SER . 53.2 Cg_endo -73.03 10.33 1.15 Allowed 'Trans proline' 0 N--CA 1.442 -1.544 0 CA-C-O 115.428 -1.988 . . . . 1.1499999999999999 114.958 -173.717 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' S' S ' 129' ' ' VAL . . . . . 0.443 ' C ' ' O ' ' S' ' 128' ' ' PRO . 1.7 t -8.64 -77.79 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.374 1.655 0 CA-C-N 119.984 1.265 . . . . 1.54 110.843 -179.51 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' S' S ' 130' ' ' SER . . . . . 0.597 ' CB ' ' H2 ' ' S' ' 1' ' ' GLN 0.277 0.1 OUTLIER 50.69 -91.63 0.02 OUTLIER 'General case' 0 C--O 1.215 -0.756 0 O-C-N 124.736 1.272 . . . . 2.54 112.782 178.976 . . . . . . . . 4 4 . 1 . 001 nuclear orig full ' S' S ' 131' ' ' SER . . . . . . . . . . . . . 35.5 t -150.26 -117.15 0.05 OUTLIER 'General case' 0 N--CA 1.439 -0.981 0 O-C-N 127.67 3.106 . . . . 5.3700000000000001 102.758 179.571 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' S' S ' 132' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 . . . . . 0 CA--C 1.563 1.457 0 O-C-N 126.095 2.122 . . . . 6.7300000000000004 105.313 178.944 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' S' S ' 1' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 . . . . . 0 CA--C 1.566 1.579 0 N-CA-C 117.178 2.288 . . . . 6.32 117.178 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' S' S ' 2' ' ' LYS . . . . . 0.787 ' H ' ' HD2' ' S' ' 3' ' ' PRO . 16.1 mmtt -173.36 -37.33 0.0 OUTLIER Pre-proline 0 CA--C 1.569 1.692 0 C-N-CA 126.86 2.064 . . . . 4.06 114.048 -156.793 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' S' S ' 3' ' ' PRO . . . . . 0.787 ' HD2' ' H ' ' S' ' 2' ' ' LYS . 57.0 Cg_endo -77.79 -166.8 0.42 Allowed 'Trans proline' 0 C--N 1.372 1.798 0 N-CA-C 106.383 -2.199 . . . . 0.64 106.383 172.911 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' S' S ' 4' ' ' LYS . . . . . 0.473 ' HB2' ' H ' ' S' ' 127' ' ' LEU . 0.0 OUTLIER 161.06 126.16 0.0 OUTLIER 'General case' 0 C--O 1.212 -0.886 0 N-CA-C 106.687 -1.598 . . . . 2.11 106.687 -173.039 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' S' S ' 5' ' ' LEU . . . . . 0.926 HD13 ' CD1' ' S' ' 34' ' ' ILE . 0.2 OUTLIER -66.5 172.21 4.3 Favored 'General case' 0 C--N 1.303 -1.453 0 N-CA-C 108.224 -1.028 . . . . 0.85 108.224 179.768 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' S' S ' 6' ' ' LEU . . . . . 0.719 HD21 HD13 ' S' ' 48' ' ' ILE . 0.8 OUTLIER -111.96 77.84 1.08 Allowed 'General case' 0 N--CA 1.474 0.76 0 CA-C-O 124.369 2.033 . . . . 1.49 111.82 179.599 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' S' S ' 7' ' ' TYR . . . . . 0.613 ' HB3' ' CB ' ' S' ' 125' ' ' LEU . 14.4 t80 -67.3 170.8 6.66 Favored 'General case' 0 C--O 1.209 -1.075 0 C-N-CA 117.179 -1.809 . . . . 1.34 110.477 -171.564 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' S' S ' 8' ' ' CYS . . . . . 0.741 ' HB2' HG22 ' S' ' 103' ' ' ILE 0.261 41.8 t -144.56 158.0 43.96 Favored 'General case' 0 CA--C 1.489 -1.4 0 CA-C-O 124.056 1.884 . . . . 1.5 113.02 172.572 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' S' S ' 9' ' ' SER . . . . . 0.59 ' CB ' ' HG2' ' S' ' 120' ' ' LYS . 74.4 m -79.4 0.87 27.45 Favored 'General case' 0 N--CA 1.441 -0.908 0 CA-C-N 108.406 -3.997 . . . . 1.13 112.522 179.61 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' S' S ' 10' ' ' ASN . . . . . 0.668 ' O ' ' CG ' ' S' ' 104' ' ' LYS . 3.9 m-20 -95.26 54.48 1.64 Allowed 'General case' 0 C--O 1.205 -1.247 0 C-N-CA 117.803 -1.559 . . . . 1.28 108.491 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' S' S ' 11' ' ' GLY . . . . . . . . . . . . . . . 131.52 -34.74 2.53 Favored Glycine 0 CA--C 1.493 -1.339 0 C-N-CA 113.938 -3.982 . . . . 0.58 111.034 -179.83 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' S' S ' 12' ' ' GLY . . . . . . . . . . . . . . . 79.18 59.97 2.63 Favored Glycine 0 N--CA 1.44 -1.07 0 O-C-N 127.68 2.635 . . . . 0.51 110.544 178.374 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' S' S ' 13' ' ' TYR . . . . . 0.502 ' HB2' ' CD1' ' S' ' 103' ' ' ILE . 29.5 m-85 -126.13 156.05 40.69 Favored 'General case' 0 CA--C 1.539 0.53 0 N-CA-C 106.478 -1.675 . . . . 1.46 106.478 172.486 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' S' S ' 14' ' ' PHE . . . . . 0.563 ' HB2' ' O ' ' S' ' 26' ' ' THR . 41.9 m-85 -91.46 129.82 37.39 Favored 'General case' 0 CA--C 1.506 -0.727 0 O-C-N 126.006 2.066 . . . . 1.32 112.99 -175.076 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' S' S ' 15' ' ' LEU . . . . . 0.978 HD22 HG12 ' S' ' 23' ' ' VAL . 5.3 mt -83.37 137.36 33.98 Favored 'General case' 0 CA--C 1.484 -1.593 0 C-N-CA 114.272 -2.971 . . . . 1.41 110.937 172.718 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' S' S ' 16' ' ' ARG . . . . . 0.609 ' CD ' HG22 ' S' ' 34' ' ' ILE . 2.0 ppt_? -157.55 -170.32 3.17 Favored 'General case' 0 N--CA 1.398 -3.057 2 CA-C-N 105.553 -5.294 . . . . 2.03 105.642 175.864 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' S' S ' 17' ' ' ILE . . . . . 0.82 HD11 HD12 ' S' ' 51' ' ' LEU . 1.4 pp -138.73 128.03 31.14 Favored 'Isoleucine or valine' 0 N--CA 1.432 -1.331 0 O-C-N 126.827 2.579 . . . . 2.48 106.275 175.15 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' S' S ' 18' ' ' PHE . . . . . 0.707 ' HB3' ' HD3' ' S' ' 19' ' ' PRO 0.308 0.5 OUTLIER -80.47 -106.89 0.0 OUTLIER Pre-proline 0 CA--C 1.555 1.164 0 C-N-CA 117.447 -1.701 . . . . 3.23 109.796 175.158 . . . . . . . . 4 4 . 1 . 001 nuclear build full ' S' S ' 19' ' ' PRO . . . . . 0.707 ' HD3' ' HB3' ' S' ' 18' ' ' PHE . 37.6 Cg_endo -85.27 -60.51 0.02 OUTLIER 'Trans proline' 0 C--N 1.369 1.65 0 CA-C-N 121.853 1.698 . . . . 3.23 111.97 -164.413 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' S' S ' 20' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -82.09 26.55 0.52 Allowed 'General case' 0 C--O 1.221 -0.395 0 CA-C-N 112.888 -1.96 . . . . 2.05 110.888 -176.61 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' S' S ' 21' ' ' GLY . . . . . 0.611 ' HA2' HD13 ' S' ' 17' ' ' ILE . . . 60.52 10.53 17.74 Favored Glycine 0 CA--C 1.553 2.411 0 C-N-CA 115.425 -3.274 . . . . 1.24 115.872 -175.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' S' S ' 22' ' ' LYS . . . . . . . . . . . . . 9.9 mttt -67.74 116.62 8.64 Favored 'General case' 0 CA--C 1.482 -1.646 0 CA-C-N 114.16 -1.02 . . . . 2.53 108.83 178.553 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' S' S ' 23' ' ' VAL . . . . . 0.978 HG12 HD22 ' S' ' 15' ' ' LEU . 6.1 t -80.31 158.36 4.38 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.9 0 C-N-CA 115.36 -2.536 . . . . 1.22 106.799 -165.05 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' S' S ' 24' ' ' ASP . . . . . 0.54 ' HA ' ' H ' ' S' ' 108' ' ' LYS . 3.0 p30 -169.86 154.81 5.44 Favored 'General case' 0 C--O 1.202 -1.406 0 C-N-CA 116.475 -2.09 . . . . 1.84 109.276 -173.816 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' S' S ' 25' ' ' GLY . . . . . 1.054 ' HA3' HD11 ' S' ' 103' ' ' ILE . . . -89.11 124.51 7.35 Favored Glycine 0 N--CA 1.439 -1.136 0 O-C-N 125.165 1.541 . . . . 0.64 112.539 175.108 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' S' S ' 26' ' ' THR . . . . . 0.563 ' O ' ' HB2' ' S' ' 14' ' ' PHE . 5.7 t -131.06 102.48 6.04 Favored 'General case' 0 C--O 1.204 -1.301 0 O-C-N 126.466 1.921 . . . . 0.77 107.255 -179.202 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' S' S ' 27' ' ' ARG . . . . . . . . . . . . . 10.5 ptt180 -66.74 2.1 1.53 Allowed 'General case' 0 CA--C 1.56 1.334 0 O-C-N 118.032 -2.918 . . . . 2.94 113.661 177.255 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' S' S ' 28' ' ' ASP . . . . . 0.452 ' O ' ' HB2' ' S' ' 31' ' ' ASP . 1.8 m-20 -86.7 77.77 9.26 Favored 'General case' 0 C--O 1.207 -1.165 0 N-CA-C 106.687 -1.598 . . . . 1.36 106.687 -177.604 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' S' S ' 29' ' ' ARG . . . . . 0.614 ' HA ' HD11 ' S' ' 34' ' ' ILE . 1.5 ptt180 -57.41 -22.11 40.92 Favored 'General case' 0 CA--C 1.55 0.967 0 C-N-CA 116.549 -2.06 . . . . 2.7 115.425 178.44 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' S' S ' 30' ' ' SER . . . . . . . . . . . . . 29.6 m -66.42 -27.71 68.05 Favored 'General case' 0 N--CA 1.444 -0.735 0 O-C-N 126.888 2.618 . . . . 1.4 111.811 -176.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' S' S ' 31' ' ' ASP . . . . . 0.567 ' HB3' ' CG1' ' S' ' 34' ' ' ILE . 1.0 OUTLIER -46.48 126.5 7.85 Favored Pre-proline 0 CA--C 1.564 1.507 0 O-C-N 124.961 1.413 . . . . 1.62 107.768 -176.341 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' S' S ' 32' ' ' PRO . . . . . . . . . . . . . 27.7 Cg_endo -70.61 9.59 0.72 Allowed 'Trans proline' 0 C--N 1.35 0.625 0 C-N-CA 121.731 1.621 . . . . 1.61 114.197 -169.511 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' S' S ' 33' ' ' TYR . . . . . 0.655 ' CG ' HD22 ' S' ' 51' ' ' LEU . 0.1 OUTLIER -167.54 58.66 0.07 Allowed 'General case' 0 N--CA 1.423 -1.797 0 O-C-N 126.421 2.325 . . . . 1.85 107.693 -172.244 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' S' S ' 34' ' ' ILE . . . . . 0.926 ' CD1' HD13 ' S' ' 5' ' ' LEU . 2.8 pp -135.03 21.61 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.346 0.425 0 C-N-CA 117.379 -1.728 . . . . 1.09 112.204 167.384 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' S' S ' 35' ' ' GLN . . . . . 0.518 ' HA ' ' CD2' ' S' ' 5' ' ' LEU . 7.2 mt-30 -73.12 173.08 9.9 Favored 'General case' 0 N--CA 1.45 -0.45 0 C-N-CA 116.662 -2.015 . . . . 1.89 109.788 177.806 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' S' S ' 36' ' ' LEU . . . . . 0.749 HD13 ' O ' ' S' ' 49' ' ' LYS . 0.2 OUTLIER -154.41 -167.79 2.73 Favored 'General case' 0 CA--C 1.553 1.087 1 O-C-N 129.553 4.283 . . . . 1.26 105.887 177.562 . . . . . . . . 4 4 . 1 . 001 nuclear build full ' S' S ' 37' ' ' GLN . . . . . 0.9 ' O ' HG22 ' S' ' 48' ' ' ILE 0.279 20.0 tt0 -168.84 132.78 1.45 Allowed 'General case' 0 C--O 1.192 -1.967 0 CA-C-O 112.58 -3.581 . . . . 2.07 103.635 -179.947 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' S' S ' 38' ' ' PHE . . . . . 0.541 ' CD1' ' HE1' ' S' ' 89' ' ' TYR . 0.1 OUTLIER -110.79 104.08 12.67 Favored 'General case' 0 CA--C 1.514 -0.436 0 O-C-N 127.282 2.864 . . . . 1.71 107.858 173.143 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' S' S ' 39' ' ' TYR . . . . . 0.607 ' CD1' ' HG2' ' S' ' 37' ' ' GLN . 3.3 m-85 -131.45 160.2 35.86 Favored 'General case' 0 N--CA 1.441 -0.911 0 N-CA-C 102.011 -3.329 . . . . 4.17 102.011 173.591 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' S' S ' 40' ' ' ALA . . . . . 0.604 ' HA ' ' HA ' ' S' ' 46' ' ' VAL . . . -120.19 165.7 14.44 Favored 'General case' 0 CA--C 1.502 -0.894 0 O-C-N 125.102 1.501 . . . . 0.68 107.024 177.258 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' S' S ' 41' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -100.56 -70.4 0.74 Allowed 'General case' 0 C--N 1.348 0.53 0 O-C-N 127.029 2.705 . . . . 2.21 108.332 -177.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' S' S ' 42' ' ' SER . . . . . 0.445 ' O ' ' HB ' ' S' ' 43' ' ' VAL . 0.2 OUTLIER -165.2 142.47 5.89 Favored 'General case' 0 C--O 1.213 -0.861 0 N-CA-C 104.112 -2.551 . . . . 1.17 104.112 177.968 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' S' S ' 43' ' ' VAL . . . . . 0.694 HG12 ' H ' ' S' ' 44' ' ' GLY 0.38 53.6 t 107.72 -118.06 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.478 0.934 0 C-N-CA 124.426 1.091 . . . . 1.29 110.496 179.095 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' S' S ' 44' ' ' GLY . . . . . 0.694 ' H ' HG12 ' S' ' 43' ' ' VAL . . . -142.33 7.01 2.27 Favored Glycine 0 C--O 1.229 -0.195 0 N-CA-C 108.377 -1.889 . . . . 0.94 108.377 -179.271 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' S' S ' 45' ' ' GLU . . . . . 0.663 ' HA ' ' O ' ' S' ' 77' ' ' PHE . 0.0 OUTLIER -100.86 159.5 15.14 Favored 'General case' 0 N--CA 1.434 -1.272 0 CA-C-N 113.055 -1.572 . . . . 2.24 106.76 179.612 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' S' S ' 46' ' ' VAL . . . . . 0.604 ' HA ' ' HA ' ' S' ' 40' ' ' ALA . 0.9 OUTLIER -135.79 173.13 14.55 Favored 'Isoleucine or valine' 0 CA--C 1.492 -1.271 0 C-N-CA 117.597 -1.641 . . . . 1.18 109.184 -174.294 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' S' S ' 47' ' ' TYR . . . . . 0.597 ' CE1' ' HB3' ' S' ' 56' ' ' TYR . 0.1 OUTLIER -129.28 114.84 16.75 Favored 'General case' 0 N--CA 1.439 -0.984 0 O-C-N 125.864 1.977 . . . . 3.11 112.888 165.638 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' S' S ' 48' ' ' ILE . . . . . 0.9 HG22 ' O ' ' S' ' 37' ' ' GLN 0.252 0.0 OUTLIER -81.97 -175.23 0.23 Allowed 'Isoleucine or valine' 0 CA--C 1.569 1.685 0 CA-C-N 114.067 -1.424 . . . . 0.83 110.14 177.488 . . . . . . . . 4 4 . 1 . 001 nuclear build full ' S' S ' 49' ' ' LYS . . . . . 0.791 ' CE ' ' HA2' ' S' ' 54' ' ' GLY . 8.5 tptt -132.27 151.17 51.95 Favored 'General case' 0 CA--C 1.487 -1.451 0 N-CA-C 105.523 -2.029 . . . . 2.13 105.523 177.8 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' S' S ' 50' ' ' SER . . . . . 0.708 ' HA ' HD22 ' S' ' 36' ' ' LEU . 0.0 OUTLIER -109.53 127.63 54.6 Favored 'General case' 0 N--CA 1.426 -1.646 0 N-CA-C 103.38 -2.822 . . . . 1.82 103.38 171.889 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' S' S ' 51' ' ' LEU . . . . . 0.82 HD12 HD11 ' S' ' 17' ' ' ILE . 7.9 mt 62.89 172.38 0.15 Allowed 'General case' 0 CA--C 1.558 1.266 0 CA-C-O 123.344 1.545 . . . . 2.83 110.175 172.192 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' S' S ' 52' ' ' GLU . . . . . 0.503 ' C ' ' H ' ' S' ' 54' ' ' GLY . 12.4 pt-20 -73.51 -12.89 60.93 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 117.62 -1.632 . . . . 2.28 111.774 170.171 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' S' S ' 53' ' ' THR . . . . . . . . . . . . . 71.2 p -66.82 8.23 0.29 Allowed 'General case' 0 C--N 1.357 0.92 0 O-C-N 124.87 1.356 . . . . 1.43 114.053 -174.009 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' S' S ' 54' ' ' GLY . . . . . 0.791 ' HA2' ' CE ' ' S' ' 49' ' ' LYS . . . 55.76 51.25 56.34 Favored Glycine 0 N--CA 1.412 -2.964 0 CA-C-N 112.891 -1.959 . . . . 1.16 114.501 -176.708 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' S' S ' 55' ' ' GLN . . . . . 0.695 ' HB2' ' CB ' ' S' ' 50' ' ' SER . 4.2 mt-30 -87.97 -147.85 0.15 Allowed 'General case' 0 CA--C 1.55 0.948 0 CA-C-N 112.129 -2.035 . . . . 1.96 106.68 167.211 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' S' S ' 56' ' ' TYR . . . . . 0.597 ' HB3' ' CE1' ' S' ' 47' ' ' TYR 0.356 58.1 m-85 -150.0 -157.77 0.85 Allowed 'General case' 0 CA--C 1.563 1.48 0 CA-C-N 114.489 -1.232 . . . . 2.81 108.552 -168.158 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' S' S ' 57' ' ' LEU . . . . . 0.791 HD23 HD12 ' S' ' 48' ' ' ILE . 36.3 tp -150.59 138.01 19.6 Favored 'General case' 0 CA--C 1.559 1.293 0 N-CA-C 106.803 -1.554 . . . . 1.46 106.803 161.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' S' S ' 58' ' ' ALA . . . . . 0.716 ' HB3' ' CE1' ' S' ' 66' ' ' TYR . . . -147.46 148.52 31.34 Favored 'General case' 0 C--N 1.368 1.403 0 CA-C-N 119.379 0.991 . . . . 0.49 108.82 178.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' S' S ' 59' ' ' MET . . . . . 0.782 ' SD ' ' HB3' ' S' ' 99' ' ' TRP . 14.5 ttp -71.87 124.91 25.87 Favored 'General case' 0 CA--C 1.507 -0.679 0 C-N-CA 117.534 -1.666 . . . . 2.08 110.28 167.086 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' S' S ' 60' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -49.81 142.18 9.15 Favored 'General case' 0 C--N 1.347 0.459 0 CA-C-N 111.229 -2.714 . . . . 2.08 108.563 169.702 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' S' S ' 61' ' ' SER . . . . . . . . . . . . . 11.6 p -73.08 71.99 1.15 Allowed 'General case' 0 CA--C 1.543 0.706 0 O-C-N 125.017 1.448 . . . . 2.22 111.475 -168.923 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' S' S ' 62' ' ' ASP . . . . . . . . . . . . . 6.8 t70 179.65 -54.24 0.01 OUTLIER 'General case' 0 CA--C 1.536 0.423 0 CA-C-N 112.541 -2.118 . . . . 3.19 106.239 -171.083 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' S' S ' 63' ' ' GLY . . . . . 0.495 ' HA3' ' CZ3' ' S' ' 99' ' ' TRP . . . 156.92 -16.29 0.37 Allowed Glycine 0 C--N 1.345 1.034 0 C-N-CA 115.354 -3.308 . . . . 0.8 115.978 -170.702 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' S' S ' 64' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -69.57 -178.08 1.36 Allowed 'General case' 0 C--O 1.206 -1.193 0 CA-C-N 114.514 -0.843 . . . . 1.94 109.496 174.886 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' S' S ' 65' ' ' LEU . . . . . 0.93 ' HG ' HG21 ' S' ' 23' ' ' VAL . 13.6 tp -126.48 124.24 39.63 Favored 'General case' 0 CA--C 1.559 1.297 0 N-CA-C 104.521 -2.4 . . . . 1.75 104.521 174.376 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' S' S ' 66' ' ' TYR . . . . . 0.716 ' CE1' ' HB3' ' S' ' 58' ' ' ALA . 0.4 OUTLIER -124.37 163.5 21.6 Favored 'General case' 0 CA--C 1.544 0.736 0 N-CA-C 106.993 -1.484 . . . . 1.41 106.993 176.997 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' S' S ' 67' ' ' ALA . . . . . 0.542 ' O ' ' CE2' ' S' ' 66' ' ' TYR . . . -69.8 131.31 44.3 Favored 'General case' 0 C--O 1.199 -1.586 0 N-CA-C 107.323 -1.362 . . . . 1.24 107.323 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' S' S ' 68' ' ' SER . . . . . 0.615 ' H ' ' CA ' ' S' ' 57' ' ' LEU . 2.6 t -76.7 146.93 37.73 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 114.518 -2.873 . . . . 1.84 104.215 -179.346 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' S' S ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -112.75 -48.26 3.01 Favored 'General case' 0 N--CA 1.445 -0.708 0 O-C-N 126.925 2.641 . . . . 2.71 110.722 168.178 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' S' S ' 70' ' ' SER . . . . . 0.467 ' O ' ' SG ' ' S' ' 75' ' ' CYS . 0.1 OUTLIER -95.68 157.15 36.52 Favored Pre-proline 0 C--N 1.341 0.22 0 CA-C-N 114.132 -1.395 . . . . 2.86 107.821 -174.77 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' S' S ' 71' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -70.91 -127.7 0.01 OUTLIER 'Trans proline' 0 C--N 1.374 1.891 0 N-CA-C 104.607 -2.882 . . . . 2.62 104.607 172.909 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' S' S ' 72' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER 63.58 145.25 0.02 OUTLIER 'General case' 0 CA--C 1.554 1.13 0 CA-C-O 123.955 1.836 . . . . 1.61 109.951 -170.286 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' S' S ' 73' ' ' GLU . . . . . 0.525 ' HA ' ' HG ' ' S' ' 76' ' ' LEU . 7.6 pt-20 -44.5 -38.5 4.17 Favored 'General case' 0 CA--C 1.549 0.908 0 N-CA-C 118.087 2.625 . . . . 2.27 118.087 178.445 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' S' S ' 74' ' ' GLU . . . . . . . . . . . . . 52.7 mt-10 -48.46 -40.67 27.13 Favored 'General case' 0 CA--C 1.542 0.67 0 CA-C-O 123.271 1.51 . . . . 2.13 111.784 176.753 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' S' S ' 75' ' ' CYS . . . . . 0.467 ' SG ' ' O ' ' S' ' 70' ' ' SER . 39.2 m -94.93 49.17 1.22 Allowed 'General case' 0 N--CA 1.436 -1.125 0 CA-C-N 110.23 -3.168 . . . . 2.22 112.415 175.347 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' S' S ' 76' ' ' LEU . . . . . 0.669 ' O ' ' CD1' ' S' ' 77' ' ' PHE . 96.0 mt -114.52 -162.0 0.8 Allowed 'General case' 0 CA--C 1.477 -1.829 1 CA-C-O 110.95 -4.357 . . . . 1.79 101.866 161.855 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' S' S ' 77' ' ' PHE . . . . . 0.669 ' CD1' ' O ' ' S' ' 76' ' ' LEU . 7.9 m-30 -169.77 -166.17 0.55 Allowed 'General case' 0 C--O 1.195 -1.808 0 C-N-CA 131.431 3.892 . . . . 1.43 111.798 -173.835 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' S' S ' 78' ' ' LEU . . . . . 0.644 HD22 ' CE1' ' S' ' 100' ' ' PHE . 0.2 OUTLIER -118.43 169.72 9.52 Favored 'General case' 0 C--N 1.361 1.076 0 CA-C-N 120.941 1.701 . . . . 1.49 106.664 -178.791 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' S' S ' 79' ' ' GLU . . . . . 0.433 ' HB2' HG12 ' S' ' 46' ' ' VAL . 10.9 tt0 -136.88 103.26 5.12 Favored 'General case' 0 N--CA 1.438 -1.032 0 O-C-N 126.369 2.293 . . . . 1.77 108.851 178.032 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' S' S ' 80' ' ' ARG . . . . . 0.612 ' HB2' ' OG1' ' S' ' 88' ' ' THR . 1.3 mtp85 -142.93 107.69 4.87 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-N 113.423 -1.717 . . . . 3.24 107.492 170.298 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' S' S ' 81' ' ' LEU . . . . . 0.887 HD11 ' HA ' ' S' ' 84' ' ' ASN . 0.0 OUTLIER -106.49 127.04 52.99 Favored 'General case' 0 N--CA 1.441 -0.89 0 N-CA-C 103.145 -2.909 . . . . 1.04 103.145 169.188 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' S' S ' 82' ' ' GLU . . . . . 0.404 ' N ' HD22 ' S' ' 81' ' ' LEU . 3.6 pt-20 -39.27 -114.27 0.0 OUTLIER 'General case' 0 CA--C 1.563 1.463 0 O-C-N 126.559 2.412 . . . . 2.24 114.113 167.051 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' S' S ' 83' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -79.03 -81.87 0.1 Allowed 'General case' 0 CA--C 1.542 0.654 0 CA-C-N 114.897 -1.047 . . . . 2.38 109.337 169.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' S' S ' 84' ' ' ASN . . . . . 0.887 ' HA ' HD11 ' S' ' 81' ' ' LEU . 4.6 t30 -162.43 94.23 0.88 Allowed 'General case' 0 C--N 1.344 0.351 0 C-N-CA 119.084 -1.046 . . . . 2.49 110.041 -177.536 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' S' S ' 85' ' ' ASN . . . . . 0.682 ' H ' HD21 ' S' ' 81' ' ' LEU . 28.9 t-20 -177.03 -53.84 0.01 OUTLIER 'General case' 0 CA--C 1.561 1.402 0 O-C-N 124.266 0.979 . . . . 1.4 112.833 -179.373 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' S' S ' 86' ' ' TYR . . . . . 0.597 ' CD2' HD22 ' S' ' 123' ' ' LEU . 0.1 OUTLIER -150.82 147.2 26.97 Favored 'General case' 0 C--N 1.358 0.946 0 CA-C-O 121.974 0.892 . . . . 1.44 109.794 -170.417 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' S' S ' 87' ' ' ASN . . . . . 0.566 ' OD1' ' HG ' ' S' ' 81' ' ' LEU . 3.1 m-20 -131.65 141.41 49.6 Favored 'General case' 0 CA--C 1.486 -1.491 0 N-CA-C 105.186 -2.153 . . . . 2.11 105.186 -164.449 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' S' S ' 88' ' ' THR . . . . . 1.022 HG22 ' HB ' ' S' ' 122' ' ' ILE 0.292 0.0 OUTLIER -36.03 -97.63 0.0 OUTLIER 'General case' 0 CA--C 1.573 1.858 0 O-C-N 126.71 2.506 . . . . 1.04 112.29 172.641 . . . . . . . . 4 4 . 1 . 001 nuclear build full ' S' S ' 89' ' ' TYR . . . . . 0.831 ' HB2' HG11 ' S' ' 101' ' ' VAL . 32.3 m-85 90.54 169.59 0.03 OUTLIER 'General case' 0 N--CA 1.485 1.297 0 C-N-CA 127.151 2.181 . . . . 1.25 113.287 -174.517 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' S' S ' 90' ' ' LYS . . . . . 0.841 ' HB3' ' HB ' ' S' ' 101' ' ' VAL . 5.9 tttm 63.53 144.65 0.02 OUTLIER 'General case' 0 C--O 1.204 -1.301 0 CA-C-N 111.48 -2.6 . . . . 4.7 108.796 -167.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' S' S ' 91' ' ' SER . . . . . 0.616 ' C ' ' HG3' ' S' ' 92' ' ' LYS . 0.6 OUTLIER 158.03 -145.16 0.0 OUTLIER 'General case' 0 C--N 1.308 -1.234 0 N-CA-C 101.535 -3.506 . . . . 2.85 101.535 179.803 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' S' S ' 92' ' ' LYS . . . . . 0.616 ' HG3' ' C ' ' S' ' 91' ' ' SER . 0.0 OUTLIER -169.81 -94.37 0.01 OUTLIER 'General case' 0 N--CA 1.437 -1.094 0 N-CA-C 100.827 -3.768 . . . . 2.56 100.827 179.418 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' S' S ' 93' ' ' VAL . . . . . 0.446 HG23 HD12 ' S' ' 76' ' ' LEU . 2.1 t -115.45 -70.32 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.348 0.53 0 CA-C-O 125.795 2.712 . . . . 2.22 107.5 -178.501 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' S' S ' 94' ' ' HIS . . . . . . . . . . . . . 2.3 m80 -60.33 160.64 8.28 Favored 'General case' 0 N--CA 1.442 -0.855 0 CA-C-N 111.53 -2.577 . . . . 5.35 110.107 179.84 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' S' S ' 95' ' ' ALA . . . . . 0.4 ' O ' ' N ' ' S' ' 97' ' ' LYS . . . -82.5 -58.52 2.88 Favored 'General case' 0 CA--C 1.506 -0.74 0 CA-C-N 110.191 -3.186 . . . . 3.28 106.637 178.703 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' S' S ' 96' ' ' ASP . . . . . 0.525 ' CG ' ' H ' ' S' ' 97' ' ' LYS . 0.0 OUTLIER 39.97 -92.16 0.01 OUTLIER 'General case' 0 C--N 1.36 1.023 0 O-C-N 127.121 2.763 . . . . 5.09 107.333 -170.534 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' S' S ' 97' ' ' LYS . . . . . 0.609 ' HE2' ' HA ' ' S' ' 98' ' ' ASP . 0.0 OUTLIER 140.62 -14.56 0.0 OUTLIER 'General case' 0 N--CA 1.428 -1.535 0 C-N-CA 128.31 2.644 . . . . 5.83 111.024 166.156 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' S' S ' 98' ' ' ASP . . . . . 0.609 ' HA ' ' HE2' ' S' ' 97' ' ' LYS . 0.8 OUTLIER -57.96 -5.74 0.47 Allowed 'General case' 0 CA--C 1.5 -0.977 0 C-N-CA 126.123 1.769 . . . . 5.22 113.231 -170.65 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' S' S ' 99' ' ' TRP . . . . . 0.782 ' HB3' ' SD ' ' S' ' 59' ' ' MET . 65.1 m95 -150.74 69.25 0.97 Allowed 'General case' 0 N--CA 1.427 -1.612 0 CA-C-O 123.675 1.703 . . . . 2.35 106.777 -176.1 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' S' S ' 100' ' ' PHE . . . . . 0.715 ' HB3' HG21 ' S' ' 115' ' ' THR . 0.2 OUTLIER -108.32 167.83 9.74 Favored 'General case' 0 CA--C 1.547 0.84 0 CA-C-N 113.144 -1.844 . . . . 2.14 106.567 176.868 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' S' S ' 101' ' ' VAL . . . . . 0.841 ' HB ' ' HB3' ' S' ' 90' ' ' LYS . 5.0 p -86.7 147.66 5.19 Favored 'Isoleucine or valine' 0 CA--C 1.501 -0.915 0 N-CA-C 103.026 -2.953 . . . . 1.26 103.026 -159.877 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' S' S ' 102' ' ' GLY . . . . . 0.609 ' HA2' ' O ' ' S' ' 121' ' ' ALA . . . -155.47 163.17 31.49 Favored Glycine 1 CA--C 1.431 -5.216 1 C-N-CA 109.772 -5.966 . . . . 0.7 107.469 156.164 . . . . . . . . 4 3 . 1 . 001 nuclear build full ' S' S ' 103' ' ' ILE . . . . . 1.054 HD11 ' HA3' ' S' ' 25' ' ' GLY . 0.0 OUTLIER -131.63 158.93 43.37 Favored 'Isoleucine or valine' 0 CA--C 1.456 -2.637 0 N-CA-C 104.63 -2.359 . . . . 1.19 104.63 173.568 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' S' S ' 104' ' ' LYS . . . . . 0.906 ' N ' HD13 ' S' ' 103' ' ' ILE . 0.0 OUTLIER 173.03 -171.39 0.04 OUTLIER 'General case' 0 N--CA 1.429 -1.482 0 N-CA-C 103.255 -2.869 . . . . 3.32 103.255 165.396 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' S' S ' 105' ' ' LYS . . . . . 0.808 ' HG2' ' HD3' ' S' ' 104' ' ' LYS 0.25 0.1 OUTLIER 110.39 -62.89 0.0 OUTLIER 'General case' 0 CA--C 1.487 -1.444 0 CA-C-N 110.702 -2.954 . . . . 5.34 105.526 150.82 . . . . . . . . 4 4 . 1 . 001 nuclear build full ' S' S ' 106' ' ' ASN . . . . . 0.451 ' HA ' ' CE2' ' S' ' 13' ' ' TYR . 3.4 p-10 167.62 5.25 0.0 OUTLIER 'General case' 0 C--O 1.213 -0.827 1 O-C-N 129.925 4.516 . . . . 4.06 110.597 175.471 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' S' S ' 107' ' ' GLY . . . . . 0.499 ' O ' ' HE2' ' S' ' 108' ' ' LYS . . . 134.97 99.43 0.61 Allowed Glycine 0 C--N 1.345 1.078 0 N-CA-C 107.253 -2.339 . . . . 2.46 107.253 -167.915 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' S' S ' 108' ' ' LYS . . . . . 0.54 ' H ' ' HA ' ' S' ' 24' ' ' ASP . 0.1 OUTLIER 142.15 -0.17 0.0 OUTLIER 'General case' 0 N--CA 1.486 1.364 0 C-N-CA 126.646 1.978 . . . . 3.62 115.279 177.556 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' S' S ' 109' ' ' THR . . . . . 0.911 ' HA ' ' HA ' ' S' ' 103' ' ' ILE 0.307 0.2 OUTLIER 63.5 -154.51 0.32 Allowed 'General case' 0 N--CA 1.435 -1.191 0 CA-C-O 123.818 1.77 . . . . 1.64 112.025 178.222 . . . . . . . . 4 4 . 1 . 001 nuclear build full ' S' S ' 110' ' ' LYS . . . . . 0.453 ' N ' ' OG1' ' S' ' 109' ' ' THR . 2.4 mmmp? -123.47 95.35 45.29 Favored Pre-proline 0 N--CA 1.422 -1.832 0 C-N-CA 129.236 3.014 . . . . 2.17 107.174 171.514 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' S' S ' 111' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo -70.73 97.75 0.74 Allowed 'Trans proline' 0 C--N 1.351 0.659 0 N-CA-C 102.743 -3.599 . . . . 1.7 102.743 175.764 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' S' S ' 112' ' ' GLY . . . . . . . . . . . . . . . 43.26 20.48 0.1 Allowed Glycine 0 CA--C 1.55 2.254 0 N-CA-C 117.395 1.718 . . . . 1.37 117.395 174.363 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' S' S ' 113' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -54.4 -59.1 5.14 Favored 'General case' 0 CA--C 1.547 0.837 0 N-CA-C 115.481 1.659 . . . . 1.9 115.481 -157.835 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' S' S ' 114' ' ' ARG . . . . . . . . . . . . . 45.5 ttm-85 -166.8 83.19 0.25 Allowed 'General case' 0 CA--C 1.494 -1.177 0 N-CA-C 103.124 -2.917 . . . . 4.53 103.124 176.604 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' S' S ' 115' ' ' THR . . . . . 0.715 HG21 ' HB3' ' S' ' 100' ' ' PHE 0.263 0.1 OUTLIER -90.73 173.83 7.81 Favored 'General case' 0 N--CA 1.416 -2.161 0 CA-C-N 110.496 -3.047 . . . . 1.58 109.291 177.199 . . . . . . . . 4 4 . 1 . 001 nuclear build full ' S' S ' 116' ' ' HIS . . . . . 0.452 ' O ' HD11 ' S' ' 122' ' ' ILE . 0.1 OUTLIER 164.41 87.75 0.0 OUTLIER 'General case' 0 C--N 1.355 0.806 0 O-C-N 125.757 1.911 . . . . 2.65 105.885 -163.866 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' S' S ' 117' ' ' PHE . . . . . 0.616 ' HA ' HD12 ' S' ' 122' ' ' ILE . 25.4 p90 -5.29 111.37 0.01 OUTLIER 'General case' 0 CA--C 1.593 2.629 0 O-C-N 125.131 1.519 . . . . 3.97 112.899 165.706 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' S' S ' 118' ' ' GLY . . . . . 0.536 ' O ' HD12 ' S' ' 123' ' ' LEU . . . 105.97 -34.78 5.5 Favored Glycine 0 CA--C 1.553 2.437 0 O-C-N 120.415 -1.428 . . . . 1.19 115.015 -174.065 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' S' S ' 119' ' ' GLN . . . . . 0.428 ' N ' HD11 ' S' ' 122' ' ' ILE . 6.8 mm-40 -45.9 154.52 0.23 Allowed 'General case' 0 C--N 1.351 0.664 0 CA-C-O 124.812 2.244 . . . . 1.72 111.959 170.357 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' S' S ' 120' ' ' LYS . . . . . 0.59 ' HG2' ' CB ' ' S' ' 9' ' ' SER . 2.2 mttt -66.47 -35.89 81.39 Favored 'General case' 0 CA--C 1.494 -1.192 0 CA-C-N 111.957 -2.383 . . . . 1.54 112.353 176.577 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' S' S ' 121' ' ' ALA . . . . . 0.609 ' O ' ' HA2' ' S' ' 102' ' ' GLY . . . -44.82 -67.11 0.31 Allowed 'General case' 0 C--O 1.206 -1.206 0 O-C-N 125.817 1.948 . . . . 1.06 107.279 -178.444 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' S' S ' 122' ' ' ILE . . . . . 1.022 ' HB ' HG22 ' S' ' 88' ' ' THR 0.317 1.4 pt -44.12 -74.41 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.491 -1.294 0 O-C-N 127.163 2.79 . . . . 1.14 110.775 177.089 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' S' S ' 123' ' ' LEU . . . . . 0.597 HD22 ' CD2' ' S' ' 86' ' ' TYR . 5.8 mt -46.68 123.27 4.88 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 113.635 -1.62 . . . . 1.5 114.238 -174.566 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' S' S ' 124' ' ' PHE . . . . . 0.744 ' CE2' HD12 ' S' ' 15' ' ' LEU . 7.8 m-30 -134.06 141.61 47.25 Favored 'General case' 0 N--CA 1.444 -0.745 0 CA-C-N 112.741 -2.027 . . . . 1.39 111.222 -175.156 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' S' S ' 125' ' ' LEU . . . . . 0.613 ' CB ' ' HB3' ' S' ' 7' ' ' TYR . 0.1 OUTLIER -94.82 105.72 20.5 Favored Pre-proline 0 CA--C 1.566 1.571 0 CA-C-N 111.788 -2.46 . . . . 1.98 110.562 -173.417 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' S' S ' 126' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -80.18 141.96 14.91 Favored 'Trans proline' 0 N--CA 1.451 -0.976 0 C-N-CA 123.071 2.514 . . . . 0.45 109.519 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' S' S ' 127' ' ' LEU . . . . . 0.718 HD12 HG23 ' S' ' 129' ' ' VAL . 0.9 OUTLIER -143.64 141.27 18.55 Favored Pre-proline 0 CA--C 1.509 -0.618 0 C-N-CA 118.381 -1.328 . . . . 0.49 110.085 -171.773 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' S' S ' 128' ' ' PRO . . . . . 0.568 ' O ' ' HB3' ' S' ' 130' ' ' SER . 53.2 Cg_endo -73.03 10.33 1.15 Allowed 'Trans proline' 0 N--CA 1.442 -1.544 0 CA-C-O 115.428 -1.988 . . . . 1.15 114.958 -173.717 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' S' S ' 129' ' ' VAL . . . . . 0.718 HG23 HD12 ' S' ' 127' ' ' LEU . 1.7 t -8.64 -77.79 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.374 1.655 0 CA-C-N 119.984 1.265 . . . . 0.98 110.843 -179.51 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' S' S ' 130' ' ' SER . . . . . 0.568 ' HB3' ' O ' ' S' ' 128' ' ' PRO 0.277 0.1 OUTLIER 50.69 -91.63 0.02 OUTLIER 'General case' 0 C--O 1.215 -0.756 0 O-C-N 124.736 1.272 . . . . 2.54 112.782 178.976 . . . . . . . . 4 4 . 1 . 001 nuclear build full ' S' S ' 131' ' ' SER . . . . . . . . . . . . . 35.5 t -150.26 -117.15 0.05 OUTLIER 'General case' 0 N--CA 1.439 -0.981 0 O-C-N 127.67 3.106 . . . . 5.18 102.758 179.571 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' S' S ' 132' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 . . . . . 0 CA--C 1.563 1.457 0 O-C-N 126.095 2.122 . . . . 6.73 105.313 178.944 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' S' S ' 1' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 . . . . . 0 CA--C 1.566 1.579 0 N-CA-C 117.178 2.288 . . . . 6.32 117.178 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' S' S ' 2' ' ' LYS . . . . . 0.787 ' H ' ' HD2' ' S' ' 3' ' ' PRO . 16.1 mmtt -173.36 -37.33 0.0 OUTLIER Pre-proline 0 CA--C 1.569 1.692 0 C-N-CA 126.86 2.064 . . . . 4.06 114.048 -156.793 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' S' S ' 3' ' ' PRO . . . . . 0.787 ' HD2' ' H ' ' S' ' 2' ' ' LYS . 57.0 Cg_endo -77.79 -166.8 0.42 Allowed 'Trans proline' 0 C--N 1.372 1.798 0 N-CA-C 106.383 -2.199 . . . . 0.64 106.383 172.911 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' S' S ' 4' ' ' LYS . . . . . 0.473 ' HB2' ' H ' ' S' ' 127' ' ' LEU . 0.0 OUTLIER 161.06 126.16 0.0 OUTLIER 'General case' 0 C--O 1.212 -0.886 0 N-CA-C 106.687 -1.598 . . . . 2.11 106.687 -173.039 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' S' S ' 5' ' ' LEU . . . . . 0.926 HD13 ' CD1' ' S' ' 34' ' ' ILE . 0.2 OUTLIER -66.5 172.21 4.3 Favored 'General case' 0 C--N 1.303 -1.453 0 N-CA-C 108.224 -1.028 . . . . 0.85 108.224 179.768 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' S' S ' 6' ' ' LEU . . . . . 0.719 HD21 HD13 ' S' ' 48' ' ' ILE . 0.8 OUTLIER -111.96 77.84 1.08 Allowed 'General case' 0 N--CA 1.474 0.76 0 CA-C-O 124.369 2.033 . . . . 1.49 111.82 179.599 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' S' S ' 7' ' ' TYR . . . . . 0.613 ' HB3' ' CB ' ' S' ' 125' ' ' LEU . 14.4 t80 -67.3 170.8 6.66 Favored 'General case' 0 C--O 1.209 -1.075 0 C-N-CA 117.179 -1.809 . . . . 1.34 110.477 -171.564 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' S' S ' 8' ' ' CYS . . . . . 0.741 ' HB2' HG22 ' S' ' 103' ' ' ILE 0.261 41.8 t -144.56 158.0 43.96 Favored 'General case' 0 CA--C 1.489 -1.4 0 CA-C-O 124.056 1.884 . . . . 1.5 113.02 172.572 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' S' S ' 9' ' ' SER . . . . . 0.59 ' CB ' ' HG2' ' S' ' 120' ' ' LYS . 74.4 m -79.4 0.87 27.45 Favored 'General case' 0 N--CA 1.441 -0.908 0 CA-C-N 108.406 -3.997 . . . . 1.13 112.522 179.61 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' S' S ' 10' ' ' ASN . . . . . 0.668 ' O ' ' CG ' ' S' ' 104' ' ' LYS . 3.9 m-20 -95.26 54.48 1.64 Allowed 'General case' 0 C--O 1.205 -1.247 0 C-N-CA 117.803 -1.559 . . . . 1.28 108.491 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' S' S ' 11' ' ' GLY . . . . . . . . . . . . . . . 131.52 -34.74 2.53 Favored Glycine 0 CA--C 1.493 -1.339 0 C-N-CA 113.938 -3.982 . . . . 0.58 111.034 -179.83 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' S' S ' 12' ' ' GLY . . . . . . . . . . . . . . . 79.18 59.97 2.63 Favored Glycine 0 N--CA 1.44 -1.07 0 O-C-N 127.68 2.635 . . . . 0.51 110.544 178.374 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' S' S ' 13' ' ' TYR . . . . . 0.502 ' HB2' ' CD1' ' S' ' 103' ' ' ILE . 29.5 m-85 -126.13 156.05 40.69 Favored 'General case' 0 CA--C 1.539 0.53 0 N-CA-C 106.478 -1.675 . . . . 1.46 106.478 172.486 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' S' S ' 14' ' ' PHE . . . . . 0.563 ' HB2' ' O ' ' S' ' 26' ' ' THR . 41.9 m-85 -91.46 129.82 37.39 Favored 'General case' 0 CA--C 1.506 -0.727 0 O-C-N 126.006 2.066 . . . . 1.32 112.99 -175.076 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' S' S ' 15' ' ' LEU . . . . . 0.978 HD22 HG12 ' S' ' 23' ' ' VAL . 5.3 mt -83.37 137.36 33.98 Favored 'General case' 0 CA--C 1.484 -1.593 0 C-N-CA 114.272 -2.971 . . . . 1.41 110.937 172.718 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' S' S ' 16' ' ' ARG . . . . . 0.609 ' CD ' HG22 ' S' ' 34' ' ' ILE . 2.0 ppt_? -157.55 -170.32 3.17 Favored 'General case' 0 N--CA 1.398 -3.057 2 CA-C-N 105.553 -5.294 . . . . 2.03 105.642 175.864 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' S' S ' 17' ' ' ILE . . . . . 0.82 HD11 HD12 ' S' ' 51' ' ' LEU . 1.4 pp -138.73 128.03 31.14 Favored 'Isoleucine or valine' 0 N--CA 1.432 -1.331 0 O-C-N 126.827 2.579 . . . . 2.48 106.275 175.15 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' S' S ' 18' ' ' PHE . . . . . 0.707 ' HB3' ' HD3' ' S' ' 19' ' ' PRO 0.308 0.5 OUTLIER -80.47 -106.89 0.0 OUTLIER Pre-proline 0 CA--C 1.555 1.164 0 C-N-CA 117.447 -1.701 . . . . 3.23 109.796 175.158 . . . . . . . . 4 4 . 1 . 001 nuclear nobuild full ' S' S ' 19' ' ' PRO . . . . . 0.707 ' HD3' ' HB3' ' S' ' 18' ' ' PHE . 37.6 Cg_endo -85.27 -60.51 0.02 OUTLIER 'Trans proline' 0 C--N 1.369 1.65 0 CA-C-N 121.853 1.698 . . . . 3.23 111.97 -164.413 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' S' S ' 20' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -82.09 26.55 0.52 Allowed 'General case' 0 C--O 1.221 -0.395 0 CA-C-N 112.888 -1.96 . . . . 2.05 110.888 -176.61 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' S' S ' 21' ' ' GLY . . . . . 0.611 ' HA2' HD13 ' S' ' 17' ' ' ILE . . . 60.52 10.53 17.74 Favored Glycine 0 CA--C 1.553 2.411 0 C-N-CA 115.425 -3.274 . . . . 1.24 115.872 -175.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' S' S ' 22' ' ' LYS . . . . . . . . . . . . . 9.9 mttt -67.74 116.62 8.64 Favored 'General case' 0 CA--C 1.482 -1.646 0 CA-C-N 114.16 -1.02 . . . . 2.53 108.83 178.553 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' S' S ' 23' ' ' VAL . . . . . 0.978 HG12 HD22 ' S' ' 15' ' ' LEU . 6.1 t -80.31 158.36 4.38 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.9 0 C-N-CA 115.36 -2.536 . . . . 1.22 106.799 -165.05 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' S' S ' 24' ' ' ASP . . . . . 0.54 ' HA ' ' H ' ' S' ' 108' ' ' LYS . 3.0 p30 -169.86 154.81 5.44 Favored 'General case' 0 C--O 1.202 -1.406 0 C-N-CA 116.475 -2.09 . . . . 1.84 109.276 -173.816 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' S' S ' 25' ' ' GLY . . . . . 1.054 ' HA3' HD11 ' S' ' 103' ' ' ILE . . . -89.11 124.51 7.35 Favored Glycine 0 N--CA 1.439 -1.136 0 O-C-N 125.165 1.541 . . . . 0.64 112.539 175.108 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' S' S ' 26' ' ' THR . . . . . 0.563 ' O ' ' HB2' ' S' ' 14' ' ' PHE . 5.7 t -131.06 102.48 6.04 Favored 'General case' 0 C--O 1.204 -1.301 0 O-C-N 126.466 1.921 . . . . 0.77 107.255 -179.202 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' S' S ' 27' ' ' ARG . . . . . . . . . . . . . 10.5 ptt180 -66.74 2.1 1.53 Allowed 'General case' 0 CA--C 1.56 1.334 0 O-C-N 118.032 -2.918 . . . . 2.94 113.661 177.255 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' S' S ' 28' ' ' ASP . . . . . 0.452 ' O ' ' HB2' ' S' ' 31' ' ' ASP . 1.8 m-20 -86.7 77.77 9.26 Favored 'General case' 0 C--O 1.207 -1.165 0 N-CA-C 106.687 -1.598 . . . . 1.36 106.687 -177.604 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' S' S ' 29' ' ' ARG . . . . . 0.614 ' HA ' HD11 ' S' ' 34' ' ' ILE . 1.5 ptt180 -57.41 -22.11 40.92 Favored 'General case' 0 CA--C 1.55 0.967 0 C-N-CA 116.549 -2.06 . . . . 2.7 115.425 178.44 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' S' S ' 30' ' ' SER . . . . . . . . . . . . . 29.6 m -66.42 -27.71 68.05 Favored 'General case' 0 N--CA 1.444 -0.735 0 O-C-N 126.888 2.618 . . . . 1.4 111.811 -176.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' S' S ' 31' ' ' ASP . . . . . 0.567 ' HB3' ' CG1' ' S' ' 34' ' ' ILE . 1.0 OUTLIER -46.48 126.5 7.85 Favored Pre-proline 0 CA--C 1.564 1.507 0 O-C-N 124.961 1.413 . . . . 1.62 107.768 -176.341 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' S' S ' 32' ' ' PRO . . . . . . . . . . . . . 27.7 Cg_endo -70.61 9.59 0.72 Allowed 'Trans proline' 0 C--N 1.35 0.625 0 C-N-CA 121.731 1.621 . . . . 1.61 114.197 -169.511 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' S' S ' 33' ' ' TYR . . . . . 0.655 ' CG ' HD22 ' S' ' 51' ' ' LEU . 0.1 OUTLIER -167.54 58.66 0.07 Allowed 'General case' 0 N--CA 1.423 -1.797 0 O-C-N 126.421 2.325 . . . . 1.85 107.693 -172.244 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' S' S ' 34' ' ' ILE . . . . . 0.926 ' CD1' HD13 ' S' ' 5' ' ' LEU . 2.8 pp -135.03 21.61 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.346 0.425 0 C-N-CA 117.379 -1.728 . . . . 1.09 112.204 167.384 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' S' S ' 35' ' ' GLN . . . . . 0.518 ' HA ' ' CD2' ' S' ' 5' ' ' LEU . 7.2 mt-30 -73.12 173.08 9.9 Favored 'General case' 0 N--CA 1.45 -0.45 0 C-N-CA 116.662 -2.015 . . . . 1.89 109.788 177.806 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' S' S ' 36' ' ' LEU . . . . . 0.749 HD13 ' O ' ' S' ' 49' ' ' LYS . 0.2 OUTLIER -154.41 -167.79 2.73 Favored 'General case' 0 CA--C 1.553 1.087 1 O-C-N 129.553 4.283 . . . . 1.26 105.887 177.562 . . . . . . . . 4 4 . 1 . 001 nuclear nobuild full ' S' S ' 37' ' ' GLN . . . . . 0.9 ' O ' HG22 ' S' ' 48' ' ' ILE 0.279 20.0 tt0 -168.84 132.78 1.45 Allowed 'General case' 0 C--O 1.192 -1.967 0 CA-C-O 112.58 -3.581 . . . . 2.07 103.635 -179.947 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' S' S ' 38' ' ' PHE . . . . . 0.541 ' CD1' ' HE1' ' S' ' 89' ' ' TYR . 0.1 OUTLIER -110.79 104.08 12.67 Favored 'General case' 0 CA--C 1.514 -0.436 0 O-C-N 127.282 2.864 . . . . 1.71 107.858 173.143 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' S' S ' 39' ' ' TYR . . . . . 0.607 ' CD1' ' HG2' ' S' ' 37' ' ' GLN . 3.3 m-85 -131.45 160.2 35.86 Favored 'General case' 0 N--CA 1.441 -0.911 0 N-CA-C 102.011 -3.329 . . . . 4.17 102.011 173.591 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' S' S ' 40' ' ' ALA . . . . . 0.604 ' HA ' ' HA ' ' S' ' 46' ' ' VAL . . . -120.19 165.7 14.44 Favored 'General case' 0 CA--C 1.502 -0.894 0 O-C-N 125.102 1.501 . . . . 0.68 107.024 177.258 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' S' S ' 41' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -100.56 -70.4 0.74 Allowed 'General case' 0 C--N 1.348 0.53 0 O-C-N 127.029 2.705 . . . . 2.21 108.332 -177.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' S' S ' 42' ' ' SER . . . . . 0.445 ' O ' ' HB ' ' S' ' 43' ' ' VAL . 0.2 OUTLIER -165.2 142.47 5.89 Favored 'General case' 0 C--O 1.213 -0.861 0 N-CA-C 104.112 -2.551 . . . . 1.17 104.112 177.968 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' S' S ' 43' ' ' VAL . . . . . 0.694 HG12 ' H ' ' S' ' 44' ' ' GLY 0.38 53.6 t 107.72 -118.06 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.478 0.934 0 C-N-CA 124.426 1.091 . . . . 1.29 110.496 179.095 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' S' S ' 44' ' ' GLY . . . . . 0.694 ' H ' HG12 ' S' ' 43' ' ' VAL . . . -142.33 7.01 2.27 Favored Glycine 0 C--O 1.229 -0.195 0 N-CA-C 108.377 -1.889 . . . . 0.94 108.377 -179.271 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' S' S ' 45' ' ' GLU . . . . . 0.663 ' HA ' ' O ' ' S' ' 77' ' ' PHE . 0.0 OUTLIER -100.86 159.5 15.14 Favored 'General case' 0 N--CA 1.434 -1.272 0 CA-C-N 113.055 -1.572 . . . . 2.24 106.76 179.612 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' S' S ' 46' ' ' VAL . . . . . 0.604 ' HA ' ' HA ' ' S' ' 40' ' ' ALA . 0.9 OUTLIER -135.79 173.13 14.55 Favored 'Isoleucine or valine' 0 CA--C 1.492 -1.271 0 C-N-CA 117.597 -1.641 . . . . 1.18 109.184 -174.294 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' S' S ' 47' ' ' TYR . . . . . 0.597 ' CE1' ' HB3' ' S' ' 56' ' ' TYR . 0.1 OUTLIER -129.28 114.84 16.75 Favored 'General case' 0 N--CA 1.439 -0.984 0 O-C-N 125.864 1.977 . . . . 3.11 112.888 165.638 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' S' S ' 48' ' ' ILE . . . . . 0.9 HG22 ' O ' ' S' ' 37' ' ' GLN 0.252 0.0 OUTLIER -81.97 -175.23 0.23 Allowed 'Isoleucine or valine' 0 CA--C 1.569 1.685 0 CA-C-N 114.067 -1.424 . . . . 0.83 110.14 177.488 . . . . . . . . 4 4 . 1 . 001 nuclear nobuild full ' S' S ' 49' ' ' LYS . . . . . 0.791 ' CE ' ' HA2' ' S' ' 54' ' ' GLY . 8.5 tptt -132.27 151.17 51.95 Favored 'General case' 0 CA--C 1.487 -1.451 0 N-CA-C 105.523 -2.029 . . . . 2.13 105.523 177.8 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' S' S ' 50' ' ' SER . . . . . 0.708 ' HA ' HD22 ' S' ' 36' ' ' LEU . 0.0 OUTLIER -109.53 127.63 54.6 Favored 'General case' 0 N--CA 1.426 -1.646 0 N-CA-C 103.38 -2.822 . . . . 1.82 103.38 171.889 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' S' S ' 51' ' ' LEU . . . . . 0.82 HD12 HD11 ' S' ' 17' ' ' ILE . 7.9 mt 62.89 172.38 0.15 Allowed 'General case' 0 CA--C 1.558 1.266 0 CA-C-O 123.344 1.545 . . . . 2.83 110.175 172.192 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' S' S ' 52' ' ' GLU . . . . . 0.503 ' C ' ' H ' ' S' ' 54' ' ' GLY . 12.4 pt-20 -73.51 -12.89 60.93 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 117.62 -1.632 . . . . 2.28 111.774 170.171 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' S' S ' 53' ' ' THR . . . . . . . . . . . . . 71.2 p -66.82 8.23 0.29 Allowed 'General case' 0 C--N 1.357 0.92 0 O-C-N 124.87 1.356 . . . . 1.43 114.053 -174.009 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' S' S ' 54' ' ' GLY . . . . . 0.791 ' HA2' ' CE ' ' S' ' 49' ' ' LYS . . . 55.76 51.25 56.34 Favored Glycine 0 N--CA 1.412 -2.964 0 CA-C-N 112.891 -1.959 . . . . 1.16 114.501 -176.708 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' S' S ' 55' ' ' GLN . . . . . 0.695 ' HB2' ' CB ' ' S' ' 50' ' ' SER . 4.2 mt-30 -87.97 -147.85 0.15 Allowed 'General case' 0 CA--C 1.55 0.948 0 CA-C-N 112.129 -2.035 . . . . 1.96 106.68 167.211 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' S' S ' 56' ' ' TYR . . . . . 0.597 ' HB3' ' CE1' ' S' ' 47' ' ' TYR 0.356 58.1 m-85 -150.0 -157.77 0.85 Allowed 'General case' 0 CA--C 1.563 1.48 0 CA-C-N 114.489 -1.232 . . . . 2.81 108.552 -168.158 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' S' S ' 57' ' ' LEU . . . . . 0.791 HD23 HD12 ' S' ' 48' ' ' ILE . 36.3 tp -150.59 138.01 19.6 Favored 'General case' 0 CA--C 1.559 1.293 0 N-CA-C 106.803 -1.554 . . . . 1.46 106.803 161.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' S' S ' 58' ' ' ALA . . . . . 0.716 ' HB3' ' CE1' ' S' ' 66' ' ' TYR . . . -147.46 148.52 31.34 Favored 'General case' 0 C--N 1.368 1.403 0 CA-C-N 119.379 0.991 . . . . 0.49 108.82 178.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' S' S ' 59' ' ' MET . . . . . 0.782 ' SD ' ' HB3' ' S' ' 99' ' ' TRP . 14.5 ttp -71.87 124.91 25.87 Favored 'General case' 0 CA--C 1.507 -0.679 0 C-N-CA 117.534 -1.666 . . . . 2.08 110.28 167.086 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' S' S ' 60' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -49.81 142.18 9.15 Favored 'General case' 0 C--N 1.347 0.459 0 CA-C-N 111.229 -2.714 . . . . 2.08 108.563 169.702 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' S' S ' 61' ' ' SER . . . . . . . . . . . . . 11.6 p -73.08 71.99 1.15 Allowed 'General case' 0 CA--C 1.543 0.706 0 O-C-N 125.017 1.448 . . . . 2.22 111.475 -168.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' S' S ' 62' ' ' ASP . . . . . . . . . . . . . 6.8 t70 179.65 -54.24 0.01 OUTLIER 'General case' 0 CA--C 1.536 0.423 0 CA-C-N 112.541 -2.118 . . . . 3.19 106.239 -171.083 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' S' S ' 63' ' ' GLY . . . . . 0.495 ' HA3' ' CZ3' ' S' ' 99' ' ' TRP . . . 156.92 -16.29 0.37 Allowed Glycine 0 C--N 1.345 1.034 0 C-N-CA 115.354 -3.308 . . . . 0.8 115.978 -170.702 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' S' S ' 64' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -69.57 -178.08 1.36 Allowed 'General case' 0 C--O 1.206 -1.193 0 CA-C-N 114.514 -0.843 . . . . 1.94 109.496 174.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' S' S ' 65' ' ' LEU . . . . . 0.93 ' HG ' HG21 ' S' ' 23' ' ' VAL . 13.6 tp -126.48 124.24 39.63 Favored 'General case' 0 CA--C 1.559 1.297 0 N-CA-C 104.521 -2.4 . . . . 1.75 104.521 174.376 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' S' S ' 66' ' ' TYR . . . . . 0.716 ' CE1' ' HB3' ' S' ' 58' ' ' ALA . 0.4 OUTLIER -124.37 163.5 21.6 Favored 'General case' 0 CA--C 1.544 0.736 0 N-CA-C 106.993 -1.484 . . . . 1.41 106.993 176.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' S' S ' 67' ' ' ALA . . . . . 0.542 ' O ' ' CE2' ' S' ' 66' ' ' TYR . . . -69.8 131.31 44.3 Favored 'General case' 0 C--O 1.199 -1.586 0 N-CA-C 107.323 -1.362 . . . . 1.24 107.323 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' S' S ' 68' ' ' SER . . . . . 0.615 ' H ' ' CA ' ' S' ' 57' ' ' LEU . 2.6 t -76.7 146.93 37.73 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 114.518 -2.873 . . . . 1.84 104.215 -179.346 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' S' S ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -112.75 -48.26 3.01 Favored 'General case' 0 N--CA 1.445 -0.708 0 O-C-N 126.925 2.641 . . . . 2.71 110.722 168.178 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' S' S ' 70' ' ' SER . . . . . 0.467 ' O ' ' SG ' ' S' ' 75' ' ' CYS . 0.1 OUTLIER -95.68 157.15 36.52 Favored Pre-proline 0 C--N 1.341 0.22 0 CA-C-N 114.132 -1.395 . . . . 2.86 107.821 -174.77 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' S' S ' 71' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -70.91 -127.7 0.01 OUTLIER 'Trans proline' 0 C--N 1.374 1.891 0 N-CA-C 104.607 -2.882 . . . . 2.62 104.607 172.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' S' S ' 72' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER 63.58 145.25 0.02 OUTLIER 'General case' 0 CA--C 1.554 1.13 0 CA-C-O 123.955 1.836 . . . . 1.61 109.951 -170.286 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' S' S ' 73' ' ' GLU . . . . . 0.525 ' HA ' ' HG ' ' S' ' 76' ' ' LEU . 7.6 pt-20 -44.5 -38.5 4.17 Favored 'General case' 0 CA--C 1.549 0.908 0 N-CA-C 118.087 2.625 . . . . 2.27 118.087 178.445 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' S' S ' 74' ' ' GLU . . . . . . . . . . . . . 52.7 mt-10 -48.46 -40.67 27.13 Favored 'General case' 0 CA--C 1.542 0.67 0 CA-C-O 123.271 1.51 . . . . 2.13 111.784 176.753 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' S' S ' 75' ' ' CYS . . . . . 0.467 ' SG ' ' O ' ' S' ' 70' ' ' SER . 39.2 m -94.93 49.17 1.22 Allowed 'General case' 0 N--CA 1.436 -1.125 0 CA-C-N 110.23 -3.168 . . . . 2.22 112.415 175.347 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' S' S ' 76' ' ' LEU . . . . . 0.669 ' O ' ' CD1' ' S' ' 77' ' ' PHE . 96.0 mt -114.52 -162.0 0.8 Allowed 'General case' 0 CA--C 1.477 -1.829 1 CA-C-O 110.95 -4.357 . . . . 1.79 101.866 161.855 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' S' S ' 77' ' ' PHE . . . . . 0.669 ' CD1' ' O ' ' S' ' 76' ' ' LEU . 7.9 m-30 -169.77 -166.17 0.55 Allowed 'General case' 0 C--O 1.195 -1.808 0 C-N-CA 131.431 3.892 . . . . 1.43 111.798 -173.835 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' S' S ' 78' ' ' LEU . . . . . 0.644 HD22 ' CE1' ' S' ' 100' ' ' PHE . 0.2 OUTLIER -118.43 169.72 9.52 Favored 'General case' 0 C--N 1.361 1.076 0 CA-C-N 120.941 1.701 . . . . 1.49 106.664 -178.791 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' S' S ' 79' ' ' GLU . . . . . 0.433 ' HB2' HG12 ' S' ' 46' ' ' VAL . 10.9 tt0 -136.88 103.26 5.12 Favored 'General case' 0 N--CA 1.438 -1.032 0 O-C-N 126.369 2.293 . . . . 1.77 108.851 178.032 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' S' S ' 80' ' ' ARG . . . . . 0.612 ' HB2' ' OG1' ' S' ' 88' ' ' THR . 1.3 mtp85 -142.93 107.69 4.87 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-N 113.423 -1.717 . . . . 3.24 107.492 170.298 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' S' S ' 81' ' ' LEU . . . . . 0.887 HD11 ' HA ' ' S' ' 84' ' ' ASN . 0.0 OUTLIER -106.49 127.04 52.99 Favored 'General case' 0 N--CA 1.441 -0.89 0 N-CA-C 103.145 -2.909 . . . . 1.04 103.145 169.188 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' S' S ' 82' ' ' GLU . . . . . 0.404 ' N ' HD22 ' S' ' 81' ' ' LEU . 3.6 pt-20 -39.27 -114.27 0.0 OUTLIER 'General case' 0 CA--C 1.563 1.463 0 O-C-N 126.559 2.412 . . . . 2.24 114.113 167.051 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' S' S ' 83' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -79.03 -81.87 0.1 Allowed 'General case' 0 CA--C 1.542 0.654 0 CA-C-N 114.897 -1.047 . . . . 2.38 109.337 169.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' S' S ' 84' ' ' ASN . . . . . 0.887 ' HA ' HD11 ' S' ' 81' ' ' LEU . 4.6 t30 -162.43 94.23 0.88 Allowed 'General case' 0 C--N 1.344 0.351 0 C-N-CA 119.084 -1.046 . . . . 2.49 110.041 -177.536 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' S' S ' 85' ' ' ASN . . . . . 0.682 ' H ' HD21 ' S' ' 81' ' ' LEU . 28.9 t-20 -177.03 -53.84 0.01 OUTLIER 'General case' 0 CA--C 1.561 1.402 0 O-C-N 124.266 0.979 . . . . 1.4 112.833 -179.373 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' S' S ' 86' ' ' TYR . . . . . 0.597 ' CD2' HD22 ' S' ' 123' ' ' LEU . 0.1 OUTLIER -150.82 147.2 26.97 Favored 'General case' 0 C--N 1.358 0.946 0 CA-C-O 121.974 0.892 . . . . 1.44 109.794 -170.417 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' S' S ' 87' ' ' ASN . . . . . 0.566 ' OD1' ' HG ' ' S' ' 81' ' ' LEU . 3.1 m-20 -131.65 141.41 49.6 Favored 'General case' 0 CA--C 1.486 -1.491 0 N-CA-C 105.186 -2.153 . . . . 2.11 105.186 -164.449 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' S' S ' 88' ' ' THR . . . . . 1.022 HG22 ' HB ' ' S' ' 122' ' ' ILE 0.292 0.0 OUTLIER -36.03 -97.63 0.0 OUTLIER 'General case' 0 CA--C 1.573 1.858 0 O-C-N 126.71 2.506 . . . . 1.04 112.29 172.641 . . . . . . . . 4 4 . 1 . 001 nuclear nobuild full ' S' S ' 89' ' ' TYR . . . . . 0.831 ' HB2' HG11 ' S' ' 101' ' ' VAL . 32.3 m-85 90.54 169.59 0.03 OUTLIER 'General case' 0 N--CA 1.485 1.297 0 C-N-CA 127.151 2.181 . . . . 1.25 113.287 -174.517 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' S' S ' 90' ' ' LYS . . . . . 0.841 ' HB3' ' HB ' ' S' ' 101' ' ' VAL . 5.9 tttm 63.53 144.65 0.02 OUTLIER 'General case' 0 C--O 1.204 -1.301 0 CA-C-N 111.48 -2.6 . . . . 4.7 108.796 -167.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' S' S ' 91' ' ' SER . . . . . 0.616 ' C ' ' HG3' ' S' ' 92' ' ' LYS . 0.6 OUTLIER 158.03 -145.16 0.0 OUTLIER 'General case' 0 C--N 1.308 -1.234 0 N-CA-C 101.535 -3.506 . . . . 2.85 101.535 179.803 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' S' S ' 92' ' ' LYS . . . . . 0.616 ' HG3' ' C ' ' S' ' 91' ' ' SER . 0.0 OUTLIER -169.81 -94.37 0.01 OUTLIER 'General case' 0 N--CA 1.437 -1.094 0 N-CA-C 100.827 -3.768 . . . . 2.56 100.827 179.418 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' S' S ' 93' ' ' VAL . . . . . 0.446 HG23 HD12 ' S' ' 76' ' ' LEU . 2.1 t -115.45 -70.32 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.348 0.53 0 CA-C-O 125.795 2.712 . . . . 2.22 107.5 -178.501 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' S' S ' 94' ' ' HIS . . . . . . . . . . . . . 2.3 m80 -60.33 160.64 8.28 Favored 'General case' 0 N--CA 1.442 -0.855 0 CA-C-N 111.53 -2.577 . . . . 5.35 110.107 179.84 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' S' S ' 95' ' ' ALA . . . . . 0.4 ' O ' ' N ' ' S' ' 97' ' ' LYS . . . -82.5 -58.52 2.88 Favored 'General case' 0 CA--C 1.506 -0.74 0 CA-C-N 110.191 -3.186 . . . . 3.28 106.637 178.703 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' S' S ' 96' ' ' ASP . . . . . 0.525 ' CG ' ' H ' ' S' ' 97' ' ' LYS . 0.0 OUTLIER 39.97 -92.16 0.01 OUTLIER 'General case' 0 C--N 1.36 1.023 0 O-C-N 127.121 2.763 . . . . 5.09 107.333 -170.534 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' S' S ' 97' ' ' LYS . . . . . 0.707 ' HD3' ' HD2' ' S' ' 116' ' ' HIS . 0.0 OUTLIER 140.62 -14.56 0.0 OUTLIER 'General case' 0 N--CA 1.428 -1.535 0 C-N-CA 128.31 2.644 . . . . 5.83 111.024 166.156 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' S' S ' 98' ' ' ASP . . . . . 0.609 ' HA ' ' HE2' ' S' ' 97' ' ' LYS . 0.8 OUTLIER -57.96 -5.74 0.47 Allowed 'General case' 0 CA--C 1.5 -0.977 0 C-N-CA 126.123 1.769 . . . . 5.22 113.231 -170.65 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' S' S ' 99' ' ' TRP . . . . . 0.782 ' HB3' ' SD ' ' S' ' 59' ' ' MET . 65.1 m95 -150.74 69.25 0.97 Allowed 'General case' 0 N--CA 1.427 -1.612 0 CA-C-O 123.675 1.703 . . . . 2.35 106.777 -176.1 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' S' S ' 100' ' ' PHE . . . . . 0.715 ' HB3' HG21 ' S' ' 115' ' ' THR . 0.2 OUTLIER -108.32 167.83 9.74 Favored 'General case' 0 CA--C 1.547 0.84 0 CA-C-N 113.144 -1.844 . . . . 2.14 106.567 176.868 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' S' S ' 101' ' ' VAL . . . . . 0.841 ' HB ' ' HB3' ' S' ' 90' ' ' LYS . 5.0 p -86.7 147.66 5.19 Favored 'Isoleucine or valine' 0 CA--C 1.501 -0.915 0 N-CA-C 103.026 -2.953 . . . . 1.26 103.026 -159.877 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' S' S ' 102' ' ' GLY . . . . . 0.609 ' HA2' ' O ' ' S' ' 121' ' ' ALA . . . -155.47 163.17 31.49 Favored Glycine 1 CA--C 1.431 -5.216 1 C-N-CA 109.772 -5.966 . . . . 0.7 107.469 156.164 . . . . . . . . 4 3 . 1 . 001 nuclear nobuild full ' S' S ' 103' ' ' ILE . . . . . 1.054 HD11 ' HA3' ' S' ' 25' ' ' GLY . 0.0 OUTLIER -131.63 158.93 43.37 Favored 'Isoleucine or valine' 0 CA--C 1.456 -2.637 0 N-CA-C 104.63 -2.359 . . . . 1.19 104.63 173.568 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' S' S ' 104' ' ' LYS . . . . . 0.906 ' N ' HD13 ' S' ' 103' ' ' ILE . 0.0 OUTLIER 173.03 -171.39 0.04 OUTLIER 'General case' 0 N--CA 1.429 -1.482 0 N-CA-C 103.255 -2.869 . . . . 3.32 103.255 165.396 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' S' S ' 105' ' ' LYS . . . . . 0.808 ' HG2' ' HD3' ' S' ' 104' ' ' LYS 0.25 0.1 OUTLIER 110.39 -62.89 0.0 OUTLIER 'General case' 0 CA--C 1.487 -1.444 0 CA-C-N 110.702 -2.954 . . . . 5.34 105.526 150.82 . . . . . . . . 4 4 . 1 . 001 nuclear nobuild full ' S' S ' 106' ' ' ASN . . . . . 0.451 ' HA ' ' CE2' ' S' ' 13' ' ' TYR . 3.4 p-10 167.62 5.25 0.0 OUTLIER 'General case' 0 C--O 1.213 -0.827 1 O-C-N 129.925 4.516 . . . . 4.06 110.597 175.471 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' S' S ' 107' ' ' GLY . . . . . 0.499 ' O ' ' HE2' ' S' ' 108' ' ' LYS . . . 134.97 99.43 0.61 Allowed Glycine 0 C--N 1.345 1.078 0 N-CA-C 107.253 -2.339 . . . . 2.46 107.253 -167.915 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' S' S ' 108' ' ' LYS . . . . . 0.54 ' H ' ' HA ' ' S' ' 24' ' ' ASP . 0.1 OUTLIER 142.15 -0.17 0.0 OUTLIER 'General case' 0 N--CA 1.486 1.364 0 C-N-CA 126.646 1.978 . . . . 3.62 115.279 177.556 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' S' S ' 109' ' ' THR . . . . . 0.911 ' HA ' ' HA ' ' S' ' 103' ' ' ILE 0.307 0.2 OUTLIER 63.5 -154.51 0.32 Allowed 'General case' 0 N--CA 1.435 -1.191 0 CA-C-O 123.818 1.77 . . . . 1.64 112.025 178.222 . . . . . . . . 4 4 . 1 . 001 nuclear nobuild full ' S' S ' 110' ' ' LYS . . . . . 0.453 ' N ' ' OG1' ' S' ' 109' ' ' THR . 2.4 mmmp? -123.47 95.35 45.29 Favored Pre-proline 0 N--CA 1.422 -1.832 0 C-N-CA 129.236 3.014 . . . . 2.17 107.174 171.514 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' S' S ' 111' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo -70.73 97.75 0.74 Allowed 'Trans proline' 0 C--N 1.351 0.659 0 N-CA-C 102.743 -3.599 . . . . 1.7 102.743 175.764 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' S' S ' 112' ' ' GLY . . . . . . . . . . . . . . . 43.26 20.48 0.1 Allowed Glycine 0 CA--C 1.55 2.254 0 N-CA-C 117.395 1.718 . . . . 1.37 117.395 174.363 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' S' S ' 113' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -54.4 -59.1 5.14 Favored 'General case' 0 CA--C 1.547 0.837 0 N-CA-C 115.481 1.659 . . . . 1.9 115.481 -157.835 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' S' S ' 114' ' ' ARG . . . . . . . . . . . . . 45.5 ttm-85 -166.8 83.19 0.25 Allowed 'General case' 0 CA--C 1.494 -1.177 0 N-CA-C 103.124 -2.917 . . . . 4.53 103.124 176.604 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' S' S ' 115' ' ' THR . . . . . 0.715 HG21 ' HB3' ' S' ' 100' ' ' PHE 0.263 0.1 OUTLIER -90.73 173.83 7.81 Favored 'General case' 0 N--CA 1.416 -2.161 0 CA-C-N 110.496 -3.047 . . . . 1.58 109.291 177.199 . . . . . . . . 4 4 . 1 . 001 nuclear nobuild full ' S' S ' 116' ' ' HIS . . . . . 0.707 ' HD2' ' HD3' ' S' ' 97' ' ' LYS . 0.0 OUTLIER 164.41 87.75 0.0 OUTLIER 'General case' 0 C--N 1.355 0.806 0 O-C-N 125.757 1.911 . . . . 2.65 105.885 -163.866 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' S' S ' 117' ' ' PHE . . . . . 0.616 ' HA ' HD12 ' S' ' 122' ' ' ILE . 25.4 p90 -5.29 111.37 0.01 OUTLIER 'General case' 0 CA--C 1.593 2.629 0 O-C-N 125.131 1.519 . . . . 3.97 112.899 165.706 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' S' S ' 118' ' ' GLY . . . . . 0.536 ' O ' HD12 ' S' ' 123' ' ' LEU . . . 105.97 -34.78 5.5 Favored Glycine 0 CA--C 1.553 2.437 0 O-C-N 120.415 -1.428 . . . . 1.19 115.015 -174.065 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' S' S ' 119' ' ' GLN . . . . . 0.428 ' N ' HD11 ' S' ' 122' ' ' ILE . 6.8 mm-40 -45.9 154.52 0.23 Allowed 'General case' 0 C--N 1.351 0.664 0 CA-C-O 124.812 2.244 . . . . 1.72 111.959 170.357 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' S' S ' 120' ' ' LYS . . . . . 0.59 ' HG2' ' CB ' ' S' ' 9' ' ' SER . 2.2 mttt -66.47 -35.89 81.39 Favored 'General case' 0 CA--C 1.494 -1.192 0 CA-C-N 111.957 -2.383 . . . . 1.54 112.353 176.577 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' S' S ' 121' ' ' ALA . . . . . 0.609 ' O ' ' HA2' ' S' ' 102' ' ' GLY . . . -44.82 -67.11 0.31 Allowed 'General case' 0 C--O 1.206 -1.206 0 O-C-N 125.817 1.948 . . . . 1.06 107.279 -178.444 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' S' S ' 122' ' ' ILE . . . . . 1.022 ' HB ' HG22 ' S' ' 88' ' ' THR 0.317 1.4 pt -44.12 -74.41 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.491 -1.294 0 O-C-N 127.163 2.79 . . . . 1.14 110.775 177.089 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' S' S ' 123' ' ' LEU . . . . . 0.597 HD22 ' CD2' ' S' ' 86' ' ' TYR . 5.8 mt -46.68 123.27 4.88 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 113.635 -1.62 . . . . 1.5 114.238 -174.566 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' S' S ' 124' ' ' PHE . . . . . 0.744 ' CE2' HD12 ' S' ' 15' ' ' LEU . 7.8 m-30 -134.06 141.61 47.25 Favored 'General case' 0 N--CA 1.444 -0.745 0 CA-C-N 112.741 -2.027 . . . . 1.39 111.222 -175.156 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' S' S ' 125' ' ' LEU . . . . . 0.613 ' CB ' ' HB3' ' S' ' 7' ' ' TYR . 0.1 OUTLIER -94.82 105.72 20.5 Favored Pre-proline 0 CA--C 1.566 1.571 0 CA-C-N 111.788 -2.46 . . . . 1.98 110.562 -173.417 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' S' S ' 126' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -80.18 141.96 14.91 Favored 'Trans proline' 0 N--CA 1.451 -0.976 0 C-N-CA 123.071 2.514 . . . . 0.45 109.519 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' S' S ' 127' ' ' LEU . . . . . 0.718 HD12 HG23 ' S' ' 129' ' ' VAL . 0.9 OUTLIER -143.64 141.27 18.55 Favored Pre-proline 0 CA--C 1.509 -0.618 0 C-N-CA 118.381 -1.328 . . . . 0.49 110.085 -171.773 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' S' S ' 128' ' ' PRO . . . . . 0.568 ' O ' ' HB3' ' S' ' 130' ' ' SER . 53.2 Cg_endo -73.03 10.33 1.15 Allowed 'Trans proline' 0 N--CA 1.442 -1.544 0 CA-C-O 115.428 -1.988 . . . . 1.15 114.958 -173.717 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' S' S ' 129' ' ' VAL . . . . . 0.718 HG23 HD12 ' S' ' 127' ' ' LEU . 1.7 t -8.64 -77.79 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.374 1.655 0 CA-C-N 119.984 1.265 . . . . 0.98 110.843 -179.51 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' S' S ' 130' ' ' SER . . . . . 0.568 ' HB3' ' O ' ' S' ' 128' ' ' PRO 0.277 0.1 OUTLIER 50.69 -91.63 0.02 OUTLIER 'General case' 0 C--O 1.215 -0.756 0 O-C-N 124.736 1.272 . . . . 2.54 112.782 178.976 . . . . . . . . 4 4 . 1 . 001 nuclear nobuild full ' S' S ' 131' ' ' SER . . . . . . . . . . . . . 35.5 t -150.26 -117.15 0.05 OUTLIER 'General case' 0 N--CA 1.439 -0.981 0 O-C-N 127.67 3.106 . . . . 5.18 102.758 179.571 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' S' S ' 132' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 . . . . . 0 CA--C 1.563 1.457 0 O-C-N 126.095 2.122 . . . . 6.73 105.313 178.944 . . . . . . . . 0 0 . 1 stop_ save_