data_1g84_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 1g84 _Structure_validation_residue.Date_analyzed 2016-10-06 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.521 ' O ' ' HA ' ' A' ' 32' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.269 0 N-CA-C 110.343 -0.243 . . . . 0.0 110.343 . . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.603 HG13 ' CD1' ' A' ' 97' ' ' PHE . 2.5 p -129.22 145.81 35.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.544 1.153 . . . . 0.0 109.341 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.545 ' HB2' ' CD1' ' A' ' 31' ' ' LEU . 0.0 OUTLIER -134.23 166.83 21.88 Favored 'General case' 0 C--N 1.323 -0.565 0 O-C-N 124.568 1.168 . . . . 0.0 109.323 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.509 HG12 ' O ' ' A' ' 99' ' ' ASP . 0.0 OUTLIER -130.12 120.59 49.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 109.39 -179.928 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.489 ' HB2' ' O ' ' A' ' 29' ' ' LEU . 22.3 mt -123.16 129.31 51.25 Favored 'General case' 0 C--N 1.323 -0.583 0 O-C-N 124.584 1.178 . . . . 0.0 109.3 -179.899 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . 0.496 ' HB3' ' CD2' ' A' ' 28' ' ' LEU . 0.0 OUTLIER -106.94 140.52 39.62 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.554 1.159 . . . . 0.0 110.299 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 0.459 ' HB3' ' CB ' ' A' ' 27' ' ' GLN . 0.1 OUTLIER -134.23 75.43 1.59 Allowed 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.41 1.069 . . . . 0.0 110.073 179.919 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 23.5 p . . . . . 0 C--N 1.326 -0.414 0 O-C-N 124.543 1.152 . . . . 0.0 109.935 -179.988 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.418 ' HA ' ' N ' ' A' ' 77' ' ' GLN . 53.0 p . . . . . 0 N--CA 1.454 -0.27 0 N-CA-C 110.431 -0.211 . . . . 0.0 110.431 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.695 ' CD1' ' CZ3' ' A' ' 80' ' ' TRP . 0.1 OUTLIER -134.0 131.75 55.96 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 O-C-N 124.674 1.234 . . . . 0.0 109.357 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.58 ' HA ' ' O ' ' A' ' 73' ' ' LEU . 0.7 OUTLIER -117.86 81.58 1.69 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.621 1.2 . . . . 0.0 110.276 -179.931 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.551 ' O ' ' CB ' ' A' ' 73' ' ' LEU . 1.6 mt -96.39 103.42 15.32 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.58 1.175 . . . . 0.0 109.272 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.733 ' HA ' ' HA ' ' A' ' 72' ' ' GLU . 2.0 pp -111.73 125.83 54.4 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.496 1.123 . . . . 0.0 109.323 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.52 ' HB2' ' HB2' ' A' ' 71' ' ' SER . 33.0 m -92.29 155.55 17.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.61 1.193 . . . . 0.0 108.192 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.545 ' CD1' ' HB2' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -115.98 103.87 11.02 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.567 1.167 . . . . 0.0 109.375 179.954 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.82 HG13 ' O ' ' A' ' 32' ' ' VAL . 1.6 p -127.55 116.87 45.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.599 1.187 . . . . 0.0 109.347 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.833 ' CB ' ' HA ' ' A' ' 68' ' ' SER . 56.4 p -151.86 -179.05 7.12 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.442 1.089 . . . . 0.0 110.112 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.509 ' HA2' ' CB ' ' A' ' 66' ' ' LEU . . . 83.3 -49.88 4.31 Favored Glycine 0 CA--C 1.532 1.125 0 O-C-N 124.505 1.128 . . . . 0.0 110.951 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.795 ' OH ' ' HB ' ' A' ' 69' ' ' THR . 4.7 p90 -62.24 153.05 31.71 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.563 0.802 . . . . 0.0 110.998 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.671 ' O ' ' O ' ' A' ' 35' ' ' TYR . 2.9 m 50.18 144.93 0.02 OUTLIER Pre-proline 0 C--N 1.324 -0.531 0 O-C-N 124.667 1.229 . . . . 0.0 110.446 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.441 ' HD2' ' CG2' ' A' ' 36' ' ' THR . 18.1 Cg_endo -75.02 -16.89 19.91 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.64 1.863 . . . . 0.0 111.004 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . 0.604 ' O ' ' CB ' ' A' ' 39' ' ' THR . . . -121.22 -49.53 0.27 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.503 1.127 . . . . 0.0 110.994 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.604 ' CB ' ' O ' ' A' ' 38' ' ' GLY . 1.0 OUTLIER 159.2 171.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.456 0.739 . . . . 0.0 110.334 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.909 ' HB ' ' O ' ' A' ' 91' ' ' THR . 1.0 OUTLIER -111.75 -139.38 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.589 1.181 . . . . 0.0 109.272 -179.902 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . 0.483 ' HB2' ' CG2' ' A' ' 91' ' ' THR . 0.2 OUTLIER -111.15 155.22 23.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.623 1.202 . . . . 0.0 109.356 179.895 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.564 ' CG2' ' CB ' ' A' ' 58' ' ' ALA . 3.6 mm -122.17 121.57 64.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 109.306 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.481 ' C ' ' CD1' ' A' ' 44' ' ' TRP . 2.4 m -155.56 157.53 36.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.44 1.087 . . . . 0.0 110.509 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . 1.039 ' CZ3' ' HB3' ' A' ' 88' ' ' CYS . 13.8 m95 -140.13 128.08 22.1 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 108.056 -1.091 . . . . 0.0 108.056 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -86.5 110.27 19.65 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.502 1.126 . . . . 0.0 109.277 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -99.38 140.32 33.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.441 1.088 . . . . 0.0 110.362 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.49 ' HB2' ' CG2' ' A' ' 85' ' ' THR . 0.3 OUTLIER . . . . . 0 C--N 1.326 -0.439 0 O-C-N 124.533 1.146 . . . . 0.0 109.318 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.458 ' CB ' ' HB2' ' A' ' 75' ' ' LEU . 1.2 p-10 . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.23 -0.656 . . . . 0.0 109.23 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.648 ' CD2' ' N ' ' A' ' 56' ' ' SER . 0.0 OUTLIER -137.48 159.36 42.16 Favored 'General case' 0 C--N 1.327 -0.397 0 O-C-N 124.429 1.081 . . . . 0.0 109.258 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.876 ' HB2' ' CE2' ' A' ' 44' ' ' TRP . 0.0 OUTLIER -123.32 130.63 52.99 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.446 1.091 . . . . 0.0 110.056 -179.963 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' THR . . . . . 0.464 ' O ' ' N ' ' A' ' 72' ' ' GLU . 0.2 OUTLIER -130.64 157.69 42.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.115 . . . . 0.0 110.371 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.747 ' CB ' ' HA ' ' A' ' 71' ' ' SER . . . -128.9 153.15 47.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.396 1.06 . . . . 0.0 109.369 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' SER . . . . . 0.573 ' N ' ' O ' ' A' ' 70' ' ' GLN . 0.0 OUTLIER -105.11 164.62 11.68 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 0.0 109.923 -179.943 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' THR . . . . . 0.518 HG22 ' CB ' ' A' ' 39' ' ' THR . 2.4 m -107.63 141.48 39.05 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 110.382 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' THR . . . . . 0.836 ' OG1' ' O ' ' A' ' 68' ' ' SER . 0.0 OUTLIER -144.1 160.36 41.05 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.556 1.16 . . . . 0.0 110.465 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 15.0 pt20 -104.98 130.32 53.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.399 1.062 . . . . 0.0 110.148 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -126.91 60.59 1.36 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.567 1.167 . . . . 0.0 110.322 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 72.09 -105.77 1.77 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.379 1.05 . . . . 0.0 110.864 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.417 ' O ' ' HG2' ' A' ' 65' ' ' GLU . 2.3 tt0 -98.8 -1.1 41.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.439 0.729 . . . . 0.0 110.311 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.509 ' CB ' ' HA2' ' A' ' 34' ' ' GLY . 0.1 OUTLIER -111.86 179.41 4.02 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.579 1.175 . . . . 0.0 109.274 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.606 ' CB ' ' O ' ' A' ' 36' ' ' THR . . . -128.42 120.09 26.24 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.444 1.09 . . . . 0.0 109.412 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' SER . . . . . 0.836 ' O ' ' OG1' ' A' ' 61' ' ' THR . 23.1 t -104.13 120.34 40.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.639 1.212 . . . . 0.0 109.905 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' THR . . . . . 0.795 ' HB ' ' OH ' ' A' ' 35' ' ' TYR . 0.8 OUTLIER -123.01 118.51 27.94 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.399 1.062 . . . . 0.0 110.412 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . 0.573 ' O ' ' N ' ' A' ' 59' ' ' SER . 7.8 pt20 -91.71 126.22 36.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.377 1.048 . . . . 0.0 110.256 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' SER . . . . . 0.747 ' HA ' ' CB ' ' A' ' 58' ' ' ALA . 0.8 OUTLIER -106.86 140.91 38.94 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.437 1.086 . . . . 0.0 110.14 179.955 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.733 ' HA ' ' HA ' ' A' ' 29' ' ' LEU . 0.5 OUTLIER -134.02 155.24 50.34 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.1 . . . . 0.0 110.286 -179.963 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.646 ' CD1' ' CE3' ' A' ' 44' ' ' TRP . 9.1 tt -134.26 138.13 44.82 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.542 1.151 . . . . 0.0 109.377 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' THR . . . . . 0.406 ' HA ' ' O ' ' A' ' 26' ' ' ILE . 0.0 OUTLIER -137.05 116.13 12.45 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.381 1.051 . . . . 0.0 110.467 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.573 HD21 ' CE2' ' A' ' 86' ' ' TYR . 0.4 OUTLIER -142.84 145.29 33.03 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.559 1.162 . . . . 0.0 109.36 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' SER . . . . . 0.524 ' O ' ' CD1' ' A' ' 75' ' ' LEU . 5.1 t -66.53 136.47 55.7 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.448 1.092 . . . . 0.0 109.965 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . 0.418 ' N ' ' HA ' ' A' ' 25' ' ' THR . 8.6 tp60 -57.71 -32.5 67.44 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 110.37 179.882 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 9.5 tttp -52.86 -51.3 61.55 Favored 'General case' 0 C--N 1.323 -0.563 0 O-C-N 124.6 1.187 . . . . 0.0 109.274 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . 0.734 ' CD2' HH21 ' A' ' 84' ' ' ARG . 0.3 OUTLIER -58.69 -39.72 81.53 Favored 'General case' 0 N--CA 1.45 -0.435 0 O-C-N 124.577 1.173 . . . . 0.0 109.753 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' TRP . . . . . 0.857 ' CZ3' ' CE1' ' A' ' 86' ' ' TYR . 28.2 t-105 -60.86 -33.77 73.59 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 107.994 -1.113 . . . . 0.0 107.994 179.902 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 4.4 tt -65.6 -38.61 89.97 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.452 1.095 . . . . 0.0 109.295 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 3.2 m -78.09 6.11 8.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.654 1.221 . . . . 0.0 109.918 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . 0.514 ' O ' ' HD2' ' A' ' 84' ' ' ARG . 0.0 OUTLIER 66.88 151.46 0.07 Allowed 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.463 1.102 . . . . 0.0 109.438 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . 0.734 HH21 ' CD2' ' A' ' 79' ' ' HIS . 0.6 OUTLIER -173.11 -173.87 0.99 Allowed 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.613 1.196 . . . . 0.0 110.351 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' THR . . . . . 0.49 ' CG2' ' HB2' ' A' ' 47' ' ' ASP . 0.9 OUTLIER -138.65 103.46 4.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.39 1.056 . . . . 0.0 110.451 179.972 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . 0.857 ' CE1' ' CZ3' ' A' ' 80' ' ' TRP . 0.0 OUTLIER -107.97 135.49 49.26 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.508 1.13 . . . . 0.0 110.942 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' THR . . . . . 1.185 ' HA ' ' CB ' ' A' ' 100' ' ' SER . 0.2 OUTLIER -149.29 124.79 10.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.353 1.033 . . . . 0.0 110.417 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' CYS . . . . . 1.039 ' HB3' ' CZ3' ' A' ' 44' ' ' TRP . 9.9 p -83.51 97.56 9.08 Favored 'General case' 0 C--N 1.323 -0.583 0 O-C-N 124.475 1.109 . . . . 0.0 108.259 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . 0.51 ' CA ' ' HG3' ' A' ' 98' ' ' GLU . 19.6 tt0 -89.48 103.24 15.9 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.568 1.168 . . . . 0.0 110.305 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.603 HG13 ' CE1' ' A' ' 92' ' ' TYR . 4.1 t -94.76 125.7 47.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.614 1.196 . . . . 0.0 109.283 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' THR . . . . . 0.909 ' O ' ' HB ' ' A' ' 40' ' ' ILE . 0.9 OUTLIER -97.84 169.09 9.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.386 1.054 . . . . 0.0 110.421 179.954 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . 0.783 ' CD2' HG22 ' A' ' 40' ' ' ILE . 18.3 m-85 -145.9 159.16 43.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 0.0 111.088 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -45.8 -27.57 0.87 Allowed 'General case' 0 C--N 1.322 -0.613 0 O-C-N 124.511 1.132 . . . . 0.0 110.248 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -157.7 35.76 0.54 Allowed Glycine 0 CA--C 1.529 0.913 0 O-C-N 124.502 1.126 . . . . 0.0 110.975 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' HIS . . . . . 0.477 ' CA ' ' HB2' ' A' ' 92' ' ' TYR . 2.0 t-80 -159.55 173.46 16.12 Favored 'General case' 0 N--CA 1.45 -0.441 0 O-C-N 124.374 0.691 . . . . 0.0 109.605 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 6.1 t -160.58 166.12 29.56 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.64 1.212 . . . . 0.0 110.445 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . 0.603 ' CD1' HG13 ' A' ' 9' ' ' VAL . 2.3 t80 -169.1 167.94 10.26 Favored 'General case' 0 C--N 1.323 -0.564 0 O-C-N 124.471 1.107 . . . . 0.0 111.001 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . 0.544 ' HG2' ' CG2' ' A' ' 87' ' ' THR . 8.6 tt0 -156.59 129.07 7.59 Favored 'General case' 0 C--N 1.323 -0.558 0 O-C-N 124.463 1.102 . . . . 0.0 110.324 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . 0.624 ' O ' ' SG ' ' A' ' 88' ' ' CYS . 66.7 m-20 -154.51 126.74 7.83 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.15 . . . . 0.0 109.276 179.873 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' SER . . . . . 1.185 ' CB ' ' HA ' ' A' ' 87' ' ' THR . 46.6 t -166.52 -142.01 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.335 1.022 . . . . 0.0 110.043 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' THR . . . . . 0.521 HG22 ' CD1' ' A' ' 86' ' ' TYR . 9.2 t -133.41 176.61 8.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.457 1.098 . . . . 0.0 110.411 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.516 0 O-C-N 124.576 1.172 . . . . 0.0 109.358 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.542 ' O ' ' HA ' ' A' ' 32' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.247 0 CA-C-O 120.518 0.199 . . . . 0.0 110.528 . . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.702 ' CG2' HG23 ' A' ' 32' ' ' VAL . 5.0 p -135.39 135.31 51.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 O-C-N 124.472 1.107 . . . . 0.0 109.265 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.511 ' HB2' HD11 ' A' ' 31' ' ' LEU . 11.1 mmmt -141.16 174.42 10.54 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.565 1.166 . . . . 0.0 109.384 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.552 ' CG1' ' O ' ' A' ' 99' ' ' ASP . 0.2 OUTLIER -128.47 126.89 66.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 O-C-N 124.404 1.065 . . . . 0.0 109.354 179.906 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.483 ' HB2' ' CD1' ' A' ' 29' ' ' LEU . 46.8 mt -120.87 127.4 51.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.454 1.096 . . . . 0.0 109.279 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -107.29 140.07 40.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.442 1.088 . . . . 0.0 110.386 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 0.491 ' HB3' ' CB ' ' A' ' 27' ' ' GLN . 0.2 OUTLIER -132.04 69.8 1.47 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.417 1.073 . . . . 0.0 109.961 -179.884 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 44.0 p . . . . . 0 C--N 1.326 -0.416 0 O-C-N 124.433 1.083 . . . . 0.0 110.005 -179.934 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 29.7 p . . . . . 0 N--CA 1.453 -0.3 0 CA-C-O 120.622 0.249 . . . . 0.0 110.381 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.753 ' CD1' ' CZ3' ' A' ' 80' ' ' TRP . 0.4 OUTLIER -137.68 130.89 42.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 O-C-N 124.442 1.089 . . . . 0.0 109.293 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.512 ' HA ' ' O ' ' A' ' 73' ' ' LEU . 0.3 OUTLIER -117.59 86.07 2.45 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.57 1.169 . . . . 0.0 110.362 179.948 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.631 ' O ' ' HB3' ' A' ' 73' ' ' LEU . 2.9 mt -101.11 105.76 16.95 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.558 1.161 . . . . 0.0 109.282 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.835 ' HA ' ' HA ' ' A' ' 72' ' ' GLU . 0.3 OUTLIER -110.36 134.76 51.98 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.528 1.142 . . . . 0.0 109.339 179.918 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.496 ' SG ' ' O ' ' A' ' 10' ' ' LYS . 0.1 OUTLIER -90.74 162.52 14.85 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.474 1.109 . . . . 0.0 108.387 179.927 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.575 ' CD1' ' O ' ' A' ' 31' ' ' LEU . 0.2 OUTLIER -127.65 102.65 6.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.605 1.191 . . . . 0.0 109.246 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.801 ' O ' HG11 ' A' ' 32' ' ' VAL . 1.5 p -136.58 110.78 9.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 O-C-N 124.53 1.143 . . . . 0.0 109.227 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.834 ' CB ' ' HA ' ' A' ' 68' ' ' SER . 17.8 p -150.35 -179.03 6.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.581 1.176 . . . . 0.0 109.955 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.685 ' HA2' ' HB2' ' A' ' 66' ' ' LEU . . . 80.48 -46.66 3.3 Favored Glycine 0 CA--C 1.529 0.925 0 O-C-N 124.43 1.081 . . . . 0.0 111.009 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.774 ' CE2' ' CG2' ' A' ' 32' ' ' VAL . 14.7 p90 -65.67 152.43 44.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 0.752 . . . . 0.0 110.988 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.717 ' O ' ' CB ' ' A' ' 67' ' ' ALA . 4.1 m 49.56 139.64 0.01 OUTLIER Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.59 1.181 . . . . 0.0 110.376 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.431 ' HD3' ' HA ' ' A' ' 36' ' ' THR . 17.9 Cg_endo -75.09 -14.44 20.95 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.498 1.788 . . . . 0.0 110.981 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . 0.655 ' O ' ' CB ' ' A' ' 39' ' ' THR . . . -125.42 0.17 8.04 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.528 1.142 . . . . 0.0 110.984 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.655 ' CB ' ' O ' ' A' ' 38' ' ' GLY . 0.7 OUTLIER 95.12 -168.24 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.451 0.736 . . . . 0.0 110.363 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.902 ' HB ' ' O ' ' A' ' 91' ' ' THR . 1.3 pt -128.47 -142.23 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.49 1.119 . . . . 0.0 109.394 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 58.8 t30 -108.58 153.6 23.15 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.31 1.006 . . . . 0.0 109.319 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.609 ' CG2' ' CB ' ' A' ' 58' ' ' ALA . 7.1 mt -117.33 128.02 74.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.552 1.157 . . . . 0.0 109.291 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.486 ' C ' ' CD1' ' A' ' 44' ' ' TRP . 7.6 m -157.65 163.65 38.01 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.112 . . . . 0.0 110.44 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . 1.009 ' CZ3' ' HB3' ' A' ' 88' ' ' CYS . 19.2 m95 -143.0 130.65 21.34 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 124.516 1.135 . . . . 0.0 108.035 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.403 ' HB3' ' OE2' ' A' ' 98' ' ' GLU . 8.2 tp -84.32 104.79 14.64 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.617 1.198 . . . . 0.0 109.338 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.436 ' HG2' ' NH1' ' A' ' 84' ' ' ARG . 5.6 tm-20 -98.43 142.12 30.45 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.469 1.105 . . . . 0.0 110.339 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.523 ' CB ' ' HB ' ' A' ' 85' ' ' THR . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 109.425 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.518 ' HA ' ' O ' ' A' ' 74' ' ' THR . 1.1 t0 . . . . . 0 N--CA 1.451 -0.395 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.665 ' CD2' ' N ' ' A' ' 56' ' ' SER . 0.0 OUTLIER -140.0 163.35 32.92 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 109.397 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.897 ' HB2' ' CE2' ' A' ' 44' ' ' TRP . 0.0 OUTLIER -127.92 133.81 49.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.564 1.165 . . . . 0.0 110.002 -179.939 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -133.34 156.71 47.13 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.523 1.139 . . . . 0.0 110.374 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.83 ' CB ' ' HA ' ' A' ' 71' ' ' SER . . . -133.69 150.71 51.54 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.673 1.233 . . . . 0.0 109.352 179.843 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' SER . . . . . 0.601 ' O ' ' HA ' ' A' ' 69' ' ' THR . 0.4 OUTLIER -109.84 146.4 35.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 0.0 110.011 179.954 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 2.0 t -104.63 144.29 31.91 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.396 1.06 . . . . 0.0 110.472 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' THR . . . . . 0.734 ' OG1' ' O ' ' A' ' 68' ' ' SER . 1.2 p -138.86 159.44 42.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 110.41 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 34.2 tt0 -100.73 121.71 42.13 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.367 1.042 . . . . 0.0 110.248 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.586 ' O ' ' HG ' ' A' ' 66' ' ' LEU . 1.0 OUTLIER -120.33 60.82 0.87 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 0.0 110.247 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 75.66 -102.84 1.56 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.377 1.048 . . . . 0.0 110.981 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -101.87 -1.65 31.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 0.784 . . . . 0.0 110.277 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.685 ' HB2' ' HA2' ' A' ' 34' ' ' GLY . 0.3 OUTLIER -112.23 177.91 4.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 109.364 179.919 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.717 ' CB ' ' O ' ' A' ' 36' ' ' THR . . . -135.81 121.12 19.12 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.458 1.099 . . . . 0.0 109.203 -179.884 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' SER . . . . . 0.834 ' HA ' ' CB ' ' A' ' 33' ' ' SER . 19.1 t -101.98 118.77 37.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.954 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' THR . . . . . 0.601 ' HA ' ' O ' ' A' ' 59' ' ' SER . 0.9 OUTLIER -123.76 113.9 19.19 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.53 1.144 . . . . 0.0 110.424 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . 0.514 ' O ' ' HA ' ' A' ' 58' ' ' ALA . 6.0 pt20 -97.78 125.81 42.8 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.625 1.203 . . . . 0.0 110.31 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' SER . . . . . 0.83 ' HA ' ' CB ' ' A' ' 58' ' ' ALA . 0.7 OUTLIER -104.97 151.6 23.71 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.506 1.128 . . . . 0.0 110.035 179.983 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.835 ' HA ' ' HA ' ' A' ' 29' ' ' LEU . 1.5 mt-10 -143.09 155.07 44.53 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.428 1.08 . . . . 0.0 110.316 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.631 ' HB3' ' O ' ' A' ' 28' ' ' LEU . 11.4 tp -134.43 143.47 47.58 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.474 1.109 . . . . 0.0 109.413 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' THR . . . . . 0.518 ' O ' ' HA ' ' A' ' 54' ' ' ASP . 0.1 OUTLIER -141.62 117.02 10.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.456 1.098 . . . . 0.0 110.345 -179.94 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.779 HD13 HH21 ' A' ' 84' ' ' ARG . 0.1 OUTLIER -145.28 158.81 43.74 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.462 1.101 . . . . 0.0 109.313 179.934 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' SER . . . . . 0.499 ' N ' HD12 ' A' ' 75' ' ' LEU . 38.7 t -77.56 136.26 38.27 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.473 1.108 . . . . 0.0 110.065 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . 0.412 ' O ' ' HB3' ' A' ' 80' ' ' TRP . 0.0 OUTLIER -59.14 -34.59 72.25 Favored 'General case' 0 C--N 1.327 -0.399 0 O-C-N 124.521 1.138 . . . . 0.0 110.38 179.968 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 19.1 tttm -53.36 -51.09 63.59 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.42 1.075 . . . . 0.0 109.316 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -56.72 -38.28 72.13 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 124.608 1.193 . . . . 0.0 109.691 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' TRP . . . . . 0.869 ' CE3' ' CZ ' ' A' ' 86' ' ' TYR . 13.1 t-105 -60.01 -33.86 72.56 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.547 1.154 . . . . 0.0 108.026 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 1.1 mt -65.36 -38.92 91.54 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.512 1.132 . . . . 0.0 109.325 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' SER . . . . . 0.502 ' O ' ' HB3' ' A' ' 83' ' ' ASP . 0.2 OUTLIER -79.4 8.22 6.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.597 1.185 . . . . 0.0 109.987 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . 0.502 ' HB3' ' O ' ' A' ' 82' ' ' SER . 0.0 OUTLIER 69.1 149.14 0.07 Allowed 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.561 1.163 . . . . 0.0 109.309 179.949 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . 0.779 HH21 HD13 ' A' ' 75' ' ' LEU . 8.7 ttp85 -170.4 178.05 3.86 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.432 1.082 . . . . 0.0 110.318 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' THR . . . . . 0.523 ' HB ' ' CB ' ' A' ' 47' ' ' ASP . 1.2 m -132.09 97.83 4.26 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.116 . . . . 0.0 110.495 -179.911 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . 0.869 ' CZ ' ' CE3' ' A' ' 80' ' ' TRP . 0.0 OUTLIER -114.12 119.54 37.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.573 1.171 . . . . 0.0 110.939 -179.886 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' THR . . . . . 1.398 ' HA ' ' CB ' ' A' ' 100' ' ' SER . 0.9 OUTLIER -139.69 141.59 36.96 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 110.295 -179.951 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' CYS . . . . . 1.009 ' HB3' ' CZ3' ' A' ' 44' ' ' TRP . 29.6 p -94.36 100.25 12.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.596 1.185 . . . . 0.0 108.349 179.827 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . 0.491 ' H ' ' HA ' ' A' ' 44' ' ' TRP . 25.8 tt0 -94.62 104.82 16.76 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.676 1.235 . . . . 0.0 110.317 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.559 HG13 ' CG2' ' A' ' 32' ' ' VAL . 0.5 OUTLIER -100.18 122.04 51.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.521 1.138 . . . . 0.0 109.257 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' THR . . . . . 0.902 ' O ' ' HB ' ' A' ' 40' ' ' ILE . 0.6 OUTLIER -94.52 166.39 12.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.13 . . . . 0.0 110.295 -179.959 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . 0.861 ' CD1' HD11 ' A' ' 40' ' ' ILE . 31.6 m-85 -134.43 157.04 47.47 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 111.057 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -49.37 -21.82 0.97 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.535 1.147 . . . . 0.0 110.36 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -157.16 35.19 0.56 Allowed Glycine 0 CA--C 1.528 0.896 0 O-C-N 124.456 1.098 . . . . 0.0 111.054 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' HIS . . . . . 0.47 ' CA ' ' HB2' ' A' ' 92' ' ' TYR . 5.6 t60 -162.7 177.83 9.02 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.487 0.757 . . . . 0.0 109.566 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 13.3 t -160.94 152.98 19.95 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 110.392 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . 0.649 ' CZ ' HG11 ' A' ' 9' ' ' VAL . 3.4 t80 -161.42 158.64 27.07 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.619 1.199 . . . . 0.0 110.998 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . 0.478 ' HG2' ' CG2' ' A' ' 87' ' ' THR . 3.5 tt0 -156.11 133.07 10.51 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.584 1.177 . . . . 0.0 110.355 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . 0.593 ' HB2' ' CE1' ' A' ' 97' ' ' PHE . 0.7 OUTLIER -158.03 130.93 7.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.661 1.225 . . . . 0.0 109.387 -179.955 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' SER . . . . . 1.398 ' CB ' ' HA ' ' A' ' 87' ' ' THR . 7.8 t -171.82 -143.27 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.549 1.155 . . . . 0.0 110.05 -179.846 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' THR . . . . . 0.636 HG22 ' CE1' ' A' ' 86' ' ' TYR . 3.7 t -134.5 -176.15 4.12 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.292 0.995 . . . . 0.0 110.419 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . 0.488 ' N ' ' OG1' ' A' ' 101' ' ' THR . 16.3 pttt . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.586 1.179 . . . . 0.0 109.275 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.642 ' O ' ' HA ' ' A' ' 32' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.349 0 N-CA-C 110.43 -0.211 . . . . 0.0 110.43 . . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.701 ' CG2' HG21 ' A' ' 32' ' ' VAL . 6.9 p -131.36 137.8 54.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.592 1.183 . . . . 0.0 109.394 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.566 ' HB2' ' CD1' ' A' ' 31' ' ' LEU . 24.8 mttt -142.96 165.71 26.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.613 1.196 . . . . 0.0 109.253 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.502 HG12 ' HA ' ' A' ' 100' ' ' SER . 4.4 tp -126.57 117.21 47.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.384 1.053 . . . . 0.0 109.262 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.454 ' HB2' ' CD1' ' A' ' 29' ' ' LEU . 47.9 mt -113.13 129.52 56.48 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.505 1.128 . . . . 0.0 109.268 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . 0.484 ' HB3' ' CD2' ' A' ' 28' ' ' LEU . 0.0 OUTLIER -106.31 138.95 41.57 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.422 1.076 . . . . 0.0 110.372 179.917 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 0.466 ' HB3' ' CB ' ' A' ' 27' ' ' GLN . 0.2 OUTLIER -132.61 71.59 1.47 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.496 1.122 . . . . 0.0 110.037 179.919 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 8.4 t . . . . . 0 C--N 1.327 -0.411 0 O-C-N 124.414 1.071 . . . . 0.0 109.988 -179.982 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.472 ' CG2' ' HA ' ' A' ' 76' ' ' SER . 67.5 p . . . . . 0 N--CA 1.455 -0.189 0 N-CA-C 110.355 -0.239 . . . . 0.0 110.355 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.721 ' CD1' ' CZ3' ' A' ' 80' ' ' TRP . 2.6 tt -109.85 133.81 53.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.417 1.073 . . . . 0.0 109.212 -179.845 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.47 ' HA ' ' O ' ' A' ' 73' ' ' LEU . 4.2 mt-30 -118.19 77.7 1.18 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.598 1.186 . . . . 0.0 110.34 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.518 ' O ' ' HB3' ' A' ' 73' ' ' LEU . 3.5 mt -96.39 106.45 18.68 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.494 1.121 . . . . 0.0 109.414 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.704 ' HA ' ' HA ' ' A' ' 72' ' ' GLU . 0.5 OUTLIER -115.48 131.83 56.81 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 109.325 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.532 ' HB2' ' HB2' ' A' ' 71' ' ' SER . 1.1 m -90.62 168.04 12.09 Favored 'General case' 0 C--N 1.327 -0.379 0 O-C-N 124.529 1.143 . . . . 0.0 108.229 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.585 ' C ' ' CD2' ' A' ' 31' ' ' LEU . 0.0 OUTLIER -128.42 97.91 4.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.464 1.102 . . . . 0.0 109.354 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.732 ' O ' HG12 ' A' ' 32' ' ' VAL . 1.4 p -129.93 106.8 13.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 O-C-N 124.535 1.147 . . . . 0.0 109.319 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.899 ' CB ' ' HA ' ' A' ' 68' ' ' SER . 8.3 p -148.86 -178.04 6.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.387 1.055 . . . . 0.0 109.89 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.636 ' HA2' ' HB3' ' A' ' 66' ' ' LEU . . . 80.31 -46.73 3.28 Favored Glycine 0 CA--C 1.531 1.083 0 O-C-N 124.496 1.123 . . . . 0.0 110.965 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.721 ' CE2' HG22 ' A' ' 32' ' ' VAL . 15.3 p90 -65.23 148.94 50.79 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.582 0.813 . . . . 0.0 110.958 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.721 ' O ' ' CB ' ' A' ' 67' ' ' ALA . 4.1 m 51.48 139.56 0.01 OUTLIER Pre-proline 0 C--N 1.326 -0.42 0 O-C-N 124.448 1.092 . . . . 0.0 110.394 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.452 ' C ' ' HB3' ' A' ' 67' ' ' ALA . 18.3 Cg_endo -74.98 -14.19 21.25 Favored 'Trans proline' 0 C--N 1.361 1.211 0 O-C-N 124.614 1.849 . . . . 0.0 111.076 179.906 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . 0.582 ' O ' ' CB ' ' A' ' 39' ' ' THR . . . -124.94 3.93 8.47 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.364 1.04 . . . . 0.0 110.931 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.662 ' N ' ' CB ' ' A' ' 67' ' ' ALA . 0.5 OUTLIER 88.58 -168.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.407 0.71 . . . . 0.0 110.417 -179.942 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.872 ' HB ' ' O ' ' A' ' 91' ' ' THR . 1.2 pt -125.94 -139.92 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 0.0 109.354 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . 0.41 ' O ' HD12 ' A' ' 42' ' ' ILE . 63.7 t30 -114.11 157.04 23.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.401 1.063 . . . . 0.0 109.342 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.586 ' CG2' ' CB ' ' A' ' 58' ' ' ALA . 3.5 mm -115.05 128.96 72.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.449 1.093 . . . . 0.0 109.264 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.527 ' C ' ' CD1' ' A' ' 44' ' ' TRP . 1.2 m -153.39 159.27 42.37 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.519 1.137 . . . . 0.0 110.424 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . 1.066 ' CZ3' ' HB3' ' A' ' 88' ' ' CYS . 20.2 m95 -146.17 130.34 17.49 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.047 -1.094 . . . . 0.0 108.047 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.404 ' HB2' ' OE1' ' A' ' 98' ' ' GLU . 0.5 OUTLIER -96.81 111.83 23.84 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.478 1.111 . . . . 0.0 109.453 179.962 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -101.89 142.97 32.38 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.525 1.141 . . . . 0.0 110.36 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.487 ' CB ' ' HB ' ' A' ' 85' ' ' THR . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.57 1.169 . . . . 0.0 109.311 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.506 ' HB2' ' CB ' ' A' ' 75' ' ' LEU . 3.0 p30 . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.621 HD21 ' C ' ' A' ' 56' ' ' SER . 0.0 OUTLIER -141.95 162.59 35.08 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.37 1.044 . . . . 0.0 109.28 -179.964 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.722 ' HB2' ' CE2' ' A' ' 44' ' ' TRP . 2.6 p -125.8 127.72 46.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 110.002 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' THR . . . . . 0.472 ' O ' ' N ' ' A' ' 72' ' ' GLU . 0.2 OUTLIER -130.84 163.84 26.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.606 1.191 . . . . 0.0 110.437 179.973 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.783 ' CB ' ' HA ' ' A' ' 71' ' ' SER . . . -131.11 150.99 51.9 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.118 . . . . 0.0 109.295 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' SER . . . . . 0.534 ' N ' ' O ' ' A' ' 70' ' ' GLN . 2.3 t -104.33 152.61 22.04 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.406 1.066 . . . . 0.0 109.976 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' THR . . . . . 0.515 ' CG2' HG21 ' A' ' 39' ' ' THR . 22.2 m -108.27 142.51 38.45 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.613 1.195 . . . . 0.0 110.38 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' THR . . . . . 0.665 ' OG1' ' O ' ' A' ' 68' ' ' SER . 0.7 OUTLIER -142.02 156.04 45.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.568 1.167 . . . . 0.0 110.423 179.964 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -99.88 127.45 46.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.449 1.093 . . . . 0.0 110.359 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -125.94 61.47 1.26 Allowed 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.396 1.06 . . . . 0.0 110.37 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 74.23 -105.42 1.83 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.512 1.133 . . . . 0.0 111.052 -179.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -100.99 0.32 37.95 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.582 0.813 . . . . 0.0 110.25 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.636 ' HB3' ' HA2' ' A' ' 34' ' ' GLY . 5.7 mp -111.37 176.91 4.83 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.563 1.164 . . . . 0.0 109.235 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.721 ' CB ' ' O ' ' A' ' 36' ' ' THR . . . -133.14 121.26 22.33 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.457 1.098 . . . . 0.0 109.321 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' SER . . . . . 0.899 ' HA ' ' CB ' ' A' ' 33' ' ' SER . 39.8 t -103.69 120.17 40.39 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.983 -179.911 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' THR . . . . . 0.606 ' HB ' ' OH ' ' A' ' 35' ' ' TYR . 0.9 OUTLIER -124.25 112.22 16.77 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.485 1.115 . . . . 0.0 110.464 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . 0.534 ' O ' ' N ' ' A' ' 59' ' ' SER . 4.5 tt0 -93.25 126.72 38.51 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.459 1.1 . . . . 0.0 110.262 -179.897 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' SER . . . . . 0.783 ' HA ' ' CB ' ' A' ' 58' ' ' ALA . 0.0 OUTLIER -100.9 146.37 27.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.972 -179.95 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.704 ' HA ' ' HA ' ' A' ' 29' ' ' LEU . 0.4 OUTLIER -140.88 154.05 45.98 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.352 1.032 . . . . 0.0 110.294 -179.973 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.626 ' CB ' ' HB3' ' A' ' 56' ' ' SER . 8.8 tt -137.55 134.9 36.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.45 1.094 . . . . 0.0 109.329 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' THR . . . . . 0.445 ' HA ' ' O ' ' A' ' 26' ' ' ILE . 0.0 OUTLIER -133.59 114.68 13.81 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.473 1.108 . . . . 0.0 110.456 179.904 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.695 ' CD2' ' CE2' ' A' ' 86' ' ' TYR . 0.3 OUTLIER -145.09 137.54 26.03 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.415 1.072 . . . . 0.0 109.34 -179.967 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' SER . . . . . 0.5 ' O ' ' CD1' ' A' ' 75' ' ' LEU . 48.2 m -65.38 137.88 57.78 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.485 1.116 . . . . 0.0 110.058 179.892 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 6.9 mm-40 -53.8 -28.01 32.64 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.463 1.102 . . . . 0.0 110.154 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 3.8 mttt -54.63 -54.81 36.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.456 1.097 . . . . 0.0 109.279 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . 0.543 ' HD1' ' NH2' ' A' ' 84' ' ' ARG . 0.6 OUTLIER -57.46 -37.83 73.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.595 1.184 . . . . 0.0 109.541 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' TRP . . . . . 0.922 ' CZ3' ' CE1' ' A' ' 86' ' ' TYR . 22.5 t-105 -60.28 -37.57 80.88 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.607 1.192 . . . . 0.0 108.063 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -68.69 -32.27 71.97 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.514 1.134 . . . . 0.0 109.322 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' SER . . . . . 0.552 ' O ' ' HB2' ' A' ' 83' ' ' ASP . 0.3 OUTLIER -76.8 5.11 8.28 Favored 'General case' 0 C--N 1.326 -0.413 0 O-C-N 124.488 1.118 . . . . 0.0 109.994 179.929 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . 0.552 ' HB2' ' O ' ' A' ' 82' ' ' SER . 20.0 m-20 70.1 146.72 0.06 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.464 1.102 . . . . 0.0 109.311 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . 0.543 ' NH2' ' HD1' ' A' ' 79' ' ' HIS . 6.7 ttp85 177.58 175.02 0.47 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.523 1.139 . . . . 0.0 110.214 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' THR . . . . . 0.487 ' HB ' ' CB ' ' A' ' 47' ' ' ASP . 0.8 OUTLIER -134.81 105.51 6.47 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.432 1.082 . . . . 0.0 110.452 179.902 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . 0.922 ' CE1' ' CZ3' ' A' ' 80' ' ' TRP . 0.0 OUTLIER -104.29 132.48 50.5 Favored 'General case' 0 C--N 1.322 -0.592 0 O-C-N 124.495 1.122 . . . . 0.0 111.023 -179.965 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' THR . . . . . 1.243 ' HA ' ' CB ' ' A' ' 100' ' ' SER . 0.2 OUTLIER -148.27 126.27 12.05 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.609 1.193 . . . . 0.0 110.417 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' CYS . . . . . 1.066 ' HB3' ' CZ3' ' A' ' 44' ' ' TRP . 17.1 p -84.51 99.39 10.69 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.524 1.14 . . . . 0.0 108.233 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . 0.472 ' HA ' ' HA ' ' A' ' 98' ' ' GLU . 52.5 tt0 -93.06 102.45 14.78 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.454 1.096 . . . . 0.0 110.297 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.489 HG11 ' CG2' ' A' ' 32' ' ' VAL . 0.5 OUTLIER -96.44 122.88 48.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.432 1.083 . . . . 0.0 109.168 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' THR . . . . . 0.872 ' O ' ' HB ' ' A' ' 40' ' ' ILE . 0.6 OUTLIER -92.53 165.85 12.81 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.538 1.149 . . . . 0.0 110.362 179.957 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . 0.819 ' CD1' HD13 ' A' ' 40' ' ' ILE . 36.7 m-85 -135.53 159.63 41.01 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.477 1.111 . . . . 0.0 111.05 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . 0.485 ' CG ' HG23 ' A' ' 36' ' ' THR . 0.8 OUTLIER -47.45 -26.35 1.33 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 110.339 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -156.65 33.58 0.58 Allowed Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.414 1.071 . . . . 0.0 110.938 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' HIS . . . . . 0.508 ' C ' ' HB2' ' A' ' 92' ' ' TYR . 2.7 t-160 -157.79 178.92 9.71 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.536 0.786 . . . . 0.0 109.569 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 12.5 t -159.37 156.5 28.62 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.466 1.103 . . . . 0.0 110.404 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . 0.661 ' CE1' HG22 ' A' ' 9' ' ' VAL . 18.1 t80 -160.7 160.01 30.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 111.007 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . 0.513 ' HG2' ' CG2' ' A' ' 87' ' ' THR . 29.5 tt0 -157.72 130.81 7.59 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.46 1.1 . . . . 0.0 110.293 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . 0.614 ' HB2' ' CE1' ' A' ' 97' ' ' PHE . 4.4 m-20 -158.28 129.64 6.56 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.617 1.198 . . . . 0.0 109.271 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' SER . . . . . 1.243 ' CB ' ' HA ' ' A' ' 87' ' ' THR . 40.7 t -167.02 -141.84 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.471 1.107 . . . . 0.0 109.929 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' THR . . . . . 0.486 ' O ' ' O ' ' A' ' 86' ' ' TYR . 9.0 t -132.17 173.02 11.67 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.476 1.11 . . . . 0.0 110.458 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . 0.416 ' CB ' ' OG1' ' A' ' 85' ' ' THR . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.555 1.159 . . . . 0.0 109.317 -179.833 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 110.332 -0.248 . . . . 0.0 110.332 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.466 ' CG2' ' HB ' ' A' ' 32' ' ' VAL . 9.3 p -132.37 148.45 31.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.605 1.19 . . . . 0.0 109.191 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.519 ' N ' ' O ' ' A' ' 31' ' ' LEU . 1.9 mtpt -135.77 162.84 31.65 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.589 1.181 . . . . 0.0 109.304 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.647 HG13 ' HA ' ' A' ' 100' ' ' SER . 0.0 OUTLIER -133.5 116.01 23.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 O-C-N 124.482 1.114 . . . . 0.0 109.324 179.982 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.581 ' CD1' ' CD2' ' A' ' 31' ' ' LEU . 72.5 mt -114.85 132.43 56.51 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.57 1.169 . . . . 0.0 109.322 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -107.18 148.99 28.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.332 1.02 . . . . 0.0 110.21 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 0.487 ' N ' ' O ' ' A' ' 27' ' ' GLN . 1.8 t -132.54 69.81 1.48 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.548 1.155 . . . . 0.0 109.881 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 35.1 p . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 0.0 109.983 179.877 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.484 ' CG2' ' HA ' ' A' ' 76' ' ' SER . 2.2 p . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 110.336 -0.246 . . . . 0.0 110.336 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.653 HG23 ' CE3' ' A' ' 80' ' ' TRP . 0.0 OUTLIER -135.6 134.09 51.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.524 1.14 . . . . 0.0 109.311 -179.961 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.599 ' HA ' ' O ' ' A' ' 73' ' ' LEU . 0.9 OUTLIER -113.79 112.22 23.05 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.606 1.191 . . . . 0.0 110.344 179.916 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.541 ' O ' ' HB3' ' A' ' 73' ' ' LEU . 1.6 mt -110.75 106.07 15.15 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.561 1.163 . . . . 0.0 109.376 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.695 ' HA ' ' HA ' ' A' ' 72' ' ' GLU . 0.0 OUTLIER -112.04 125.47 54.12 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.529 1.143 . . . . 0.0 109.193 -179.895 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.496 ' HB2' ' CB ' ' A' ' 71' ' ' SER . 84.0 m -93.62 160.22 14.87 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.652 1.22 . . . . 0.0 108.29 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.581 ' CD2' ' CD1' ' A' ' 12' ' ' LEU . 0.1 OUTLIER -122.47 101.84 7.73 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.38 1.05 . . . . 0.0 109.337 179.943 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.829 ' CG2' ' HE2' ' A' ' 35' ' ' TYR . 6.5 p -133.47 124.52 48.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 109.309 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.881 ' CB ' ' HA ' ' A' ' 68' ' ' SER . 26.8 p -153.08 -179.88 8.09 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 109.937 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.755 ' HA2' ' HB3' ' A' ' 66' ' ' LEU . . . 90.16 -40.24 3.04 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.479 1.112 . . . . 0.0 111.128 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.84 ' OH ' ' HB ' ' A' ' 69' ' ' THR . 7.0 p90 -66.13 146.11 55.03 Favored 'General case' 0 C--N 1.328 -0.364 0 O-C-N 124.536 0.786 . . . . 0.0 110.925 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.808 ' O ' ' HB3' ' A' ' 67' ' ' ALA . 0.2 OUTLIER 43.58 158.22 0.01 OUTLIER Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.537 1.148 . . . . 0.0 110.344 179.948 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.64 ' C ' ' HB3' ' A' ' 67' ' ' ALA . 18.1 Cg_endo -75.11 -12.29 21.3 Favored 'Trans proline' 0 C--N 1.362 1.284 0 O-C-N 124.428 1.751 . . . . 0.0 110.925 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . 0.696 ' C ' ' HB2' ' A' ' 67' ' ' ALA . . . -121.89 -45.62 0.33 Allowed Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.593 1.183 . . . . 0.0 111.029 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.646 ' CB ' ' O ' ' A' ' 38' ' ' GLY . 1.0 OUTLIER 155.02 169.86 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 0.775 . . . . 0.0 110.435 179.979 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 1.024 ' HB ' ' O ' ' A' ' 91' ' ' THR . 0.3 OUTLIER -98.45 -147.95 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.49 1.119 . . . . 0.0 109.285 -179.959 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . 0.609 ' N ' HG12 ' A' ' 40' ' ' ILE . 0.3 OUTLIER -97.98 132.86 43.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.607 1.192 . . . . 0.0 109.235 -179.967 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.517 HG22 ' CB ' ' A' ' 58' ' ' ALA . 6.8 mt -105.76 121.17 57.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.417 1.073 . . . . 0.0 109.376 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.526 ' C ' ' CD1' ' A' ' 44' ' ' TRP . 4.7 m -156.84 162.2 39.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.572 1.17 . . . . 0.0 110.418 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . 1.081 ' CZ3' ' HB3' ' A' ' 88' ' ' CYS . 10.0 m95 -141.57 130.46 23.06 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.639 1.212 . . . . 0.0 107.973 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -91.95 112.09 23.89 Favored 'General case' 0 C--N 1.328 -0.363 0 O-C-N 124.519 1.137 . . . . 0.0 109.266 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.439 ' HG3' ' N ' ' A' ' 47' ' ' ASP . 1.2 tt0 -98.34 143.05 29.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 110.343 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.483 ' HB2' ' CG2' ' A' ' 85' ' ' THR . 0.1 OUTLIER . . . . . 0 C--N 1.323 -0.55 0 O-C-N 124.581 1.175 . . . . 0.0 109.413 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.441 ' HA ' ' O ' ' A' ' 74' ' ' THR . 25.8 m-20 . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.675 HD23 ' C ' ' A' ' 56' ' ' SER . 0.0 OUTLIER -137.28 162.26 34.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 0.0 109.41 179.944 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.917 ' HB2' ' CE2' ' A' ' 44' ' ' TRP . 0.0 OUTLIER -128.76 133.09 47.99 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.514 1.134 . . . . 0.0 109.972 179.949 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' THR . . . . . 0.499 ' O ' ' N ' ' A' ' 72' ' ' GLU . 0.2 OUTLIER -133.11 156.6 47.13 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 110.48 179.951 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.749 ' CB ' ' HA ' ' A' ' 71' ' ' SER . . . -128.5 151.39 49.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.457 1.098 . . . . 0.0 109.262 -179.848 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' SER . . . . . 0.555 ' O ' ' HA ' ' A' ' 69' ' ' THR . 0.4 OUTLIER -105.03 156.97 17.56 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.443 1.089 . . . . 0.0 109.993 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' THR . . . . . 0.616 ' HA ' ' OG1' ' A' ' 69' ' ' THR . 2.2 t -106.41 141.62 37.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.553 1.158 . . . . 0.0 110.331 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' THR . . . . . 0.801 ' OG1' ' O ' ' A' ' 68' ' ' SER . 0.0 OUTLIER -143.6 162.35 36.13 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.441 1.088 . . . . 0.0 110.433 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -98.43 129.21 45.05 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.56 1.162 . . . . 0.0 110.369 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -127.65 64.19 1.36 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.51 1.131 . . . . 0.0 110.351 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 73.86 -107.64 2.3 Favored Glycine 0 CA--C 1.531 1.077 0 O-C-N 124.428 1.08 . . . . 0.0 111.038 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -100.14 0.23 40.2 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.381 0.695 . . . . 0.0 110.33 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.755 ' HB3' ' HA2' ' A' ' 34' ' ' GLY . 5.3 mp -115.91 -175.82 2.81 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.557 1.161 . . . . 0.0 109.181 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.808 ' HB3' ' O ' ' A' ' 36' ' ' THR . . . -131.63 124.06 29.13 Favored 'General case' 0 C--N 1.327 -0.371 0 O-C-N 124.53 1.144 . . . . 0.0 109.36 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' SER . . . . . 0.881 ' HA ' ' CB ' ' A' ' 33' ' ' SER . 47.6 t -108.5 117.63 34.66 Favored 'General case' 0 C--N 1.323 -0.564 0 O-C-N 124.529 1.143 . . . . 0.0 110.135 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' THR . . . . . 0.84 ' HB ' ' OH ' ' A' ' 35' ' ' TYR . 0.7 OUTLIER -117.57 125.04 50.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.632 1.208 . . . . 0.0 110.451 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . 0.567 ' O ' ' HA ' ' A' ' 58' ' ' ALA . 2.3 tt0 -93.53 124.95 37.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.11 . . . . 0.0 110.247 -179.884 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' SER . . . . . 0.749 ' HA ' ' CB ' ' A' ' 58' ' ' ALA . 0.1 OUTLIER -97.13 143.67 27.72 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.463 1.102 . . . . 0.0 110.034 179.979 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.695 ' HA ' ' HA ' ' A' ' 29' ' ' LEU . 1.0 OUTLIER -136.88 155.83 49.26 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.569 1.168 . . . . 0.0 110.215 -179.962 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.623 ' HB2' ' HB3' ' A' ' 56' ' ' SER . 13.3 tp -140.39 147.43 39.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.59 1.181 . . . . 0.0 109.287 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' THR . . . . . 0.441 ' O ' ' HA ' ' A' ' 54' ' ' ASP . 0.1 OUTLIER -148.01 120.71 8.63 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.128 . . . . 0.0 110.313 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.699 ' N ' ' CD1' ' A' ' 75' ' ' LEU . 0.0 OUTLIER -141.82 167.05 23.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.603 1.189 . . . . 0.0 109.292 179.858 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' SER . . . . . 0.484 ' HA ' ' CG2' ' A' ' 25' ' ' THR . 41.0 t -87.8 141.13 28.83 Favored 'General case' 0 C--N 1.327 -0.408 0 O-C-N 124.433 1.083 . . . . 0.0 110.015 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -59.53 -34.12 72.23 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.504 1.128 . . . . 0.0 110.373 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 15.5 tptt -54.14 -56.82 14.53 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.456 1.097 . . . . 0.0 109.257 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . 0.468 ' CB ' ' NH2' ' A' ' 84' ' ' ARG . 17.0 m80 -55.6 -34.97 65.34 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.412 1.07 . . . . 0.0 109.634 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' TRP . . . . . 0.918 ' CZ3' ' CZ ' ' A' ' 86' ' ' TYR . 25.2 t-105 -61.63 -41.24 97.21 Favored 'General case' 0 N--CA 1.451 -0.394 0 O-C-N 124.452 1.095 . . . . 0.0 108.06 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 9.3 tt -70.43 -32.41 69.99 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 109.36 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' SER . . . . . 0.551 ' O ' ' HB3' ' A' ' 83' ' ' ASP . 0.2 OUTLIER -77.42 8.01 4.72 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.586 1.179 . . . . 0.0 109.947 179.945 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . 0.551 ' HB3' ' O ' ' A' ' 82' ' ' SER . 0.7 OUTLIER 68.42 146.21 0.05 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.504 1.127 . . . . 0.0 109.397 -179.971 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . 0.468 ' NH2' ' CB ' ' A' ' 79' ' ' HIS . 1.0 OUTLIER -179.19 177.36 0.79 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.46 1.1 . . . . 0.0 110.272 -179.978 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' THR . . . . . 0.483 ' CG2' ' HB2' ' A' ' 47' ' ' ASP . 0.9 OUTLIER -135.41 110.48 8.87 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.527 1.142 . . . . 0.0 110.314 179.954 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . 0.918 ' CZ ' ' CZ3' ' A' ' 80' ' ' TRP . 0.0 OUTLIER -112.67 121.82 45.87 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.518 1.136 . . . . 0.0 110.931 179.916 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' THR . . . . . 1.486 ' HA ' ' CB ' ' A' ' 100' ' ' SER . 6.1 m -139.15 138.36 36.91 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.54 1.15 . . . . 0.0 110.365 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' CYS . . . . . 1.081 ' HB3' ' CZ3' ' A' ' 44' ' ' TRP . 8.9 p -100.44 101.71 12.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.1 . . . . 0.0 108.307 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . 0.486 ' N ' ' O ' ' A' ' 43' ' ' THR . 27.5 tt0 -94.14 110.48 22.2 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.119 . . . . 0.0 110.322 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.57 HG12 ' CE1' ' A' ' 92' ' ' TYR . 0.3 OUTLIER -107.48 117.67 53.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 O-C-N 124.553 1.158 . . . . 0.0 109.344 -179.965 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' THR . . . . . 1.024 ' O ' ' HB ' ' A' ' 40' ' ' ILE . 7.0 m -100.1 154.15 18.65 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.398 1.061 . . . . 0.0 110.458 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . 0.798 ' HA ' ' HB ' ' A' ' 40' ' ' ILE . 0.7 OUTLIER -119.3 160.43 22.25 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.432 1.082 . . . . 0.0 111.098 179.905 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 6.4 pt20 -50.76 -23.69 2.89 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.463 1.102 . . . . 0.0 110.334 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -152.06 31.55 0.89 Allowed Glycine 0 CA--C 1.529 0.93 0 O-C-N 124.379 1.05 . . . . 0.0 111.023 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' HIS . . . . . 0.49 ' CB ' ' HB2' ' A' ' 92' ' ' TYR . 1.4 t-80 -157.73 179.46 9.2 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.445 0.732 . . . . 0.0 109.711 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' THR . . . . . 0.469 ' HA ' ' HA ' ' A' ' 91' ' ' THR . 8.8 t -160.14 152.85 21.23 Favored 'General case' 0 C--N 1.323 -0.573 0 O-C-N 124.453 1.096 . . . . 0.0 110.554 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -155.24 159.39 40.03 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.526 1.141 . . . . 0.0 110.967 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . 0.464 ' HG3' ' CG ' ' A' ' 89' ' ' GLN . 1.7 tt0 -155.67 110.28 2.91 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.489 1.118 . . . . 0.0 110.257 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . 0.506 ' O ' ' SG ' ' A' ' 88' ' ' CYS . 5.0 m-20 -138.45 127.05 23.39 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.457 1.098 . . . . 0.0 109.307 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' SER . . . . . 1.486 ' CB ' ' HA ' ' A' ' 87' ' ' THR . 0.3 OUTLIER -169.61 -152.92 0.1 Allowed 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.5 1.125 . . . . 0.0 110.044 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' THR . . . . . 0.423 ' O ' ' O ' ' A' ' 86' ' ' TYR . 9.0 t -137.85 173.78 11.27 Favored 'General case' 0 C--N 1.323 -0.563 0 O-C-N 124.511 1.132 . . . . 0.0 110.495 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 13.4 pttt . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.558 1.161 . . . . 0.0 109.3 -179.976 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.494 ' O ' ' HA ' ' A' ' 32' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.335 0 N-CA-C 110.389 -0.226 . . . . 0.0 110.389 . . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.708 ' CG2' HG23 ' A' ' 32' ' ' VAL . 4.4 p -131.95 141.92 44.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.531 1.144 . . . . 0.0 109.238 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.569 ' N ' ' O ' ' A' ' 31' ' ' LEU . 7.0 mtpt -139.15 166.63 24.03 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.54 1.15 . . . . 0.0 109.226 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.467 HG13 ' C ' ' A' ' 99' ' ' ASP . 0.3 OUTLIER -124.66 122.14 63.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 O-C-N 124.438 1.086 . . . . 0.0 109.407 179.925 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 22.4 mt -122.03 128.35 51.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.563 1.164 . . . . 0.0 109.364 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -107.33 139.84 41.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.383 1.052 . . . . 0.0 110.345 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 0.5 ' HB2' ' CB ' ' A' ' 27' ' ' GLN . 75.7 m -133.44 76.53 1.67 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 0.0 110.015 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.436 ' HB3' ' CG1' ' A' ' 26' ' ' ILE . 16.3 p . . . . . 0 C--N 1.324 -0.517 0 O-C-N 124.475 1.11 . . . . 0.0 110.032 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.419 ' HB ' ' O ' ' A' ' 75' ' ' LEU . 76.5 p . . . . . 0 N--CA 1.454 -0.26 0 N-CA-C 110.444 -0.206 . . . . 0.0 110.444 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.713 ' CD1' ' CZ3' ' A' ' 80' ' ' TRP . 0.2 OUTLIER -135.23 139.11 47.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.545 1.153 . . . . 0.0 109.229 -179.964 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.591 ' HA ' ' O ' ' A' ' 73' ' ' LEU . 24.8 mt-30 -120.71 86.47 2.58 Favored 'General case' 0 C--N 1.327 -0.4 0 O-C-N 124.414 1.071 . . . . 0.0 110.342 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.649 ' O ' ' HB3' ' A' ' 73' ' ' LEU . 0.8 OUTLIER -95.12 101.76 13.53 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.442 1.089 . . . . 0.0 109.408 179.92 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.707 ' HA ' ' HA ' ' A' ' 72' ' ' GLU . 8.5 mp -99.85 118.59 36.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.565 1.166 . . . . 0.0 109.321 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.555 ' CB ' ' HB2' ' A' ' 71' ' ' SER . 0.4 OUTLIER -92.15 127.9 37.8 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.406 1.066 . . . . 0.0 108.254 -179.965 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.569 ' O ' ' N ' ' A' ' 10' ' ' LYS . 0.2 OUTLIER -94.94 119.85 34.16 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.12 . . . . 0.0 109.385 179.955 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.812 ' O ' HG12 ' A' ' 32' ' ' VAL . 1.3 p -147.74 108.61 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.411 1.07 . . . . 0.0 109.285 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.889 ' CB ' ' HA ' ' A' ' 68' ' ' SER . 25.6 p -147.46 -178.45 6.24 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.365 1.041 . . . . 0.0 110.052 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.528 ' O ' ' HB3' ' A' ' 66' ' ' LEU . . . 81.91 -49.52 4.1 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.484 1.115 . . . . 0.0 111.063 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.822 ' OH ' ' HB ' ' A' ' 69' ' ' THR . 4.0 p90 -62.1 146.93 49.04 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 0.753 . . . . 0.0 110.954 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.739 ' O ' ' CB ' ' A' ' 67' ' ' ALA . 3.7 m 50.58 138.07 0.01 OUTLIER Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.572 1.17 . . . . 0.0 110.338 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.1 -12.88 21.34 Favored 'Trans proline' 0 C--N 1.362 1.257 0 O-C-N 124.373 1.723 . . . . 0.0 110.971 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . 0.654 ' O ' ' CB ' ' A' ' 39' ' ' THR . . . -124.39 4.65 8.8 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.484 1.115 . . . . 0.0 111.101 179.9 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.654 ' CB ' ' O ' ' A' ' 38' ' ' GLY . 0.7 OUTLIER 93.6 -166.39 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.452 0.736 . . . . 0.0 110.418 179.971 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.948 ' HB ' ' O ' ' A' ' 91' ' ' THR . 0.9 OUTLIER -135.01 -141.66 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.582 1.177 . . . . 0.0 109.359 179.938 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 56.5 t30 -115.93 160.78 19.76 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.442 1.089 . . . . 0.0 109.232 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.552 ' CG2' ' CB ' ' A' ' 58' ' ' ALA . 0.8 OUTLIER -114.06 136.45 50.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 O-C-N 124.51 1.131 . . . . 0.0 109.329 179.968 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.515 ' C ' ' CD1' ' A' ' 44' ' ' TRP . 1.1 m -155.6 151.52 27.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.564 1.165 . . . . 0.0 110.416 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . 1.037 ' CZ3' ' HB3' ' A' ' 88' ' ' CYS . 20.9 m95 -144.82 130.55 19.07 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.024 -1.102 . . . . 0.0 108.024 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -105.68 117.75 34.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.438 1.086 . . . . 0.0 109.333 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.519 ' CD ' ' CZ ' ' A' ' 84' ' ' ARG . 1.0 OUTLIER -102.72 156.79 17.39 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.451 1.094 . . . . 0.0 110.255 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.557 ' CB ' ' HB ' ' A' ' 85' ' ' THR . 0.2 OUTLIER . . . . . 0 C--N 1.326 -0.445 0 O-C-N 124.529 1.143 . . . . 0.0 109.236 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.845 ' HB3' ' O ' ' A' ' 74' ' ' THR . 0.2 OUTLIER . . . . . 0 N--CA 1.454 -0.233 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 . . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.653 HD23 ' C ' ' A' ' 56' ' ' SER . 0.0 OUTLIER -154.08 179.48 8.89 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.641 1.213 . . . . 0.0 109.286 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.848 ' HB2' ' CE2' ' A' ' 44' ' ' TRP . 0.1 OUTLIER -135.05 135.04 40.98 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.481 1.113 . . . . 0.0 109.981 -179.915 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -130.21 158.65 39.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.549 1.156 . . . . 0.0 110.437 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.786 ' CB ' ' HA ' ' A' ' 71' ' ' SER . . . -132.76 151.85 51.9 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.117 . . . . 0.0 109.216 -179.896 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' SER . . . . . 0.487 ' O ' ' HA ' ' A' ' 69' ' ' THR . 0.6 OUTLIER -107.93 154.44 21.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 0.0 110.024 179.977 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' THR . . . . . 0.55 ' HA ' ' OG1' ' A' ' 69' ' ' THR . 1.5 t -105.0 141.64 36.22 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.557 1.161 . . . . 0.0 110.452 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' THR . . . . . 0.735 ' OG1' ' O ' ' A' ' 68' ' ' SER . 0.0 OUTLIER -142.4 159.19 42.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.406 1.066 . . . . 0.0 110.504 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 -95.86 130.47 42.8 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.458 1.099 . . . . 0.0 110.271 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.446 ' O ' ' CD1' ' A' ' 66' ' ' LEU . 7.7 mt-10 -129.53 64.23 1.5 Allowed 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.509 1.131 . . . . 0.0 110.258 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 73.39 -107.92 2.36 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.559 1.162 . . . . 0.0 110.996 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -99.81 0.32 41.33 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 0.779 . . . . 0.0 110.255 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.528 ' HB3' ' O ' ' A' ' 34' ' ' GLY . 0.0 OUTLIER -115.73 179.22 4.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.558 1.161 . . . . 0.0 109.331 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.739 ' CB ' ' O ' ' A' ' 36' ' ' THR . . . -129.53 118.98 22.93 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.582 1.176 . . . . 0.0 109.283 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' SER . . . . . 0.889 ' HA ' ' CB ' ' A' ' 33' ' ' SER . 23.0 t -102.82 115.29 30.31 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.54 1.15 . . . . 0.0 109.996 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' THR . . . . . 0.822 ' HB ' ' OH ' ' A' ' 35' ' ' TYR . 0.8 OUTLIER -116.37 119.63 36.27 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.49 1.119 . . . . 0.0 110.398 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . 0.48 ' O ' ' N ' ' A' ' 59' ' ' SER . 0.7 OUTLIER -93.26 125.87 38.08 Favored 'General case' 0 C--N 1.323 -0.559 0 O-C-N 124.54 1.15 . . . . 0.0 110.271 -179.951 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' SER . . . . . 0.786 ' HA ' ' CB ' ' A' ' 58' ' ' ALA . 0.8 OUTLIER -106.15 141.71 37.05 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.559 1.162 . . . . 0.0 110.107 179.949 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.707 ' HA ' ' HA ' ' A' ' 29' ' ' LEU . 0.5 OUTLIER -133.86 150.09 51.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.364 1.04 . . . . 0.0 110.381 -179.914 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.66 ' HA ' ' HB3' ' A' ' 56' ' ' SER . 1.3 tp -129.6 138.2 51.13 Favored 'General case' 0 C--N 1.323 -0.562 0 O-C-N 124.598 1.186 . . . . 0.0 109.41 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' THR . . . . . 0.845 ' O ' ' HB3' ' A' ' 54' ' ' ASP . 0.0 OUTLIER -137.55 117.08 12.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.449 1.093 . . . . 0.0 110.372 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.528 ' HA ' ' CB ' ' A' ' 54' ' ' ASP . 0.1 OUTLIER -145.44 158.02 43.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 109.278 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' SER . . . . . 0.501 ' O ' ' CD1' ' A' ' 75' ' ' LEU . 0.4 OUTLIER -84.97 141.38 30.38 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 109.973 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 11.4 tm0? -60.12 -28.33 67.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.451 1.094 . . . . 0.0 110.258 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.48 -54.89 26.42 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.489 1.118 . . . . 0.0 109.376 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . 0.466 ' HB2' ' CD1' ' A' ' 75' ' ' LEU . 18.3 m170 -58.24 -42.74 87.01 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.112 . . . . 0.0 109.585 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' TRP . . . . . 1.028 ' CZ3' ' CZ ' ' A' ' 86' ' ' TYR . 6.4 t-105 -60.63 -19.17 57.34 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.496 1.123 . . . . 0.0 108.044 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.416 ' C ' ' H ' ' A' ' 83' ' ' ASP . 0.1 OUTLIER -81.52 -43.55 18.61 Favored 'General case' 0 C--N 1.328 -0.355 0 O-C-N 124.428 1.08 . . . . 0.0 109.271 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 1.1 p -82.24 30.63 0.4 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.566 1.166 . . . . 0.0 110.039 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . 0.416 ' H ' ' C ' ' A' ' 81' ' ' LEU . 0.0 OUTLIER 60.72 149.59 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.539 1.149 . . . . 0.0 109.292 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . 0.528 HH12 ' N ' ' A' ' 47' ' ' ASP . 0.0 OUTLIER -178.42 165.35 1.77 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.586 1.179 . . . . 0.0 110.171 -179.921 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' THR . . . . . 0.557 ' HB ' ' CB ' ' A' ' 47' ' ' ASP . 0.9 OUTLIER -129.98 118.15 21.18 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.54 1.15 . . . . 0.0 110.45 -179.97 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . 1.028 ' CZ ' ' CZ3' ' A' ' 80' ' ' TRP . 0.0 OUTLIER -109.12 130.37 55.48 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.584 1.178 . . . . 0.0 110.963 -179.905 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' THR . . . . . 1.377 ' HA ' ' CB ' ' A' ' 100' ' ' SER . 1.8 m -145.23 123.97 12.59 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.531 1.144 . . . . 0.0 110.466 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' CYS . . . . . 1.037 ' HB3' ' CZ3' ' A' ' 44' ' ' TRP . 20.4 p -96.58 96.81 8.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 108.262 -179.869 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . 0.439 ' N ' ' O ' ' A' ' 43' ' ' THR . 33.9 tt0 -92.27 114.44 26.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.144 . . . . 0.0 110.316 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.632 HG11 ' CE1' ' A' ' 92' ' ' TYR . 3.1 t -103.5 133.81 46.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.448 1.092 . . . . 0.0 109.3 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' THR . . . . . 0.948 ' O ' ' HB ' ' A' ' 40' ' ' ILE . 1.2 m -107.89 163.86 12.76 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.563 1.164 . . . . 0.0 110.375 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . 0.759 ' CD2' HG22 ' A' ' 40' ' ' ILE . 2.1 m-85 -138.41 150.65 46.72 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.473 1.108 . . . . 0.0 111.043 179.862 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 5.8 pt20 -50.42 -21.63 1.54 Allowed 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.52 1.137 . . . . 0.0 110.354 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -154.28 36.44 0.7 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.44 1.088 . . . . 0.0 111.047 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' HIS . . . . . 0.561 ' CA ' ' HB2' ' A' ' 92' ' ' TYR . 2.2 t-80 -166.08 172.75 11.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 0.755 . . . . 0.0 109.677 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 13.6 t -160.73 154.78 22.86 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.455 1.097 . . . . 0.0 110.454 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . 0.655 ' CD1' ' CG1' ' A' ' 9' ' ' VAL . 24.4 t80 -169.94 164.54 9.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.441 1.088 . . . . 0.0 111.067 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . 0.621 ' N ' ' CD1' ' A' ' 97' ' ' PHE . 41.8 tt0 -152.07 133.51 14.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.149 . . . . 0.0 110.397 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . 0.744 ' O ' ' SG ' ' A' ' 88' ' ' CYS . 0.1 OUTLIER -148.39 125.29 11.27 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.501 1.126 . . . . 0.0 109.279 -179.97 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' SER . . . . . 1.377 ' CB ' ' HA ' ' A' ' 87' ' ' THR . 0.3 OUTLIER -167.4 -155.27 0.18 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.54 1.15 . . . . 0.0 110.058 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' THR . . . . . 0.572 HG21 ' CE1' ' A' ' 86' ' ' TYR . 4.5 t -143.08 173.96 11.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.368 1.042 . . . . 0.0 110.441 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.438 1.086 . . . . 0.0 109.317 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.408 ' O ' ' HA ' ' A' ' 32' ' ' VAL . 2.8 t . . . . . 0 N--CA 1.452 -0.353 0 N-CA-C 110.459 -0.2 . . . . 0.0 110.459 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.576 ' CG2' HG22 ' A' ' 32' ' ' VAL . 5.0 p -135.95 143.45 36.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.547 1.154 . . . . 0.0 109.27 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.57 ' N ' ' O ' ' A' ' 31' ' ' LEU . 0.1 OUTLIER -135.96 165.53 25.45 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.456 1.098 . . . . 0.0 109.296 -179.966 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.51 ' CG1' ' O ' ' A' ' 99' ' ' ASP . 0.1 OUTLIER -135.86 120.95 27.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.587 1.179 . . . . 0.0 109.287 -179.871 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.583 ' CD1' ' O ' ' A' ' 29' ' ' LEU . 0.0 OUTLIER -129.36 136.47 50.03 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.577 1.173 . . . . 0.0 109.185 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . 0.449 ' HB3' ' CD2' ' A' ' 28' ' ' LEU . 0.0 OUTLIER -103.56 146.46 28.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.372 1.045 . . . . 0.0 110.272 179.932 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 0.435 ' HB3' ' CB ' ' A' ' 27' ' ' GLN . 0.1 OUTLIER -132.8 76.19 1.67 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.625 1.203 . . . . 0.0 109.97 -179.965 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 6.5 p . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.582 1.176 . . . . 0.0 109.958 -179.937 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.407 ' CG2' ' HA ' ' A' ' 76' ' ' SER . 6.0 p . . . . . 0 N--CA 1.452 -0.325 0 N-CA-C 110.396 -0.224 . . . . 0.0 110.396 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.663 HD13 ' CZ3' ' A' ' 80' ' ' TRP . 0.1 OUTLIER -138.1 135.14 44.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 109.231 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.496 ' HA ' ' O ' ' A' ' 73' ' ' LEU . 6.9 mt-30 -117.68 83.61 2.02 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.571 1.169 . . . . 0.0 110.396 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.654 ' O ' ' HB3' ' A' ' 73' ' ' LEU . 1.5 mt -99.04 110.75 23.3 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 109.288 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.755 ' HA ' ' HA ' ' A' ' 72' ' ' GLU . 0.0 OUTLIER -114.62 154.47 28.3 Favored 'General case' 0 C--N 1.323 -0.56 0 O-C-N 124.51 1.131 . . . . 0.0 109.34 179.955 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.479 ' HB2' ' HB3' ' A' ' 71' ' ' SER . 0.1 OUTLIER -108.97 159.39 16.86 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.503 1.127 . . . . 0.0 108.37 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.57 ' O ' ' N ' ' A' ' 10' ' ' LYS . 6.6 mp -123.03 90.05 3.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.422 1.076 . . . . 0.0 109.302 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.792 ' O ' HG12 ' A' ' 32' ' ' VAL . 0.9 OUTLIER -124.1 114.14 39.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.511 1.132 . . . . 0.0 109.338 179.969 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.846 ' CB ' ' HA ' ' A' ' 68' ' ' SER . 16.9 p -154.09 -179.79 8.21 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.553 1.158 . . . . 0.0 110.072 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.71 ' HA2' ' HB3' ' A' ' 66' ' ' LEU . . . 81.85 -46.16 3.43 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.555 1.159 . . . . 0.0 110.99 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.741 ' O ' ' O ' ' A' ' 36' ' ' THR . 7.3 p90 -65.73 152.5 44.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.415 0.715 . . . . 0.0 111.001 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.756 ' O ' ' CB ' ' A' ' 67' ' ' ALA . 4.4 m 47.26 138.21 0.0 OUTLIER Pre-proline 0 C--N 1.327 -0.392 0 O-C-N 124.44 1.087 . . . . 0.0 110.368 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.417 ' C ' ' HB1' ' A' ' 67' ' ' ALA . 18.0 Cg_endo -74.99 -12.94 21.55 Favored 'Trans proline' 0 C--N 1.362 1.251 0 O-C-N 124.453 1.765 . . . . 0.0 111.013 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . 0.647 ' O ' ' CB ' ' A' ' 39' ' ' THR . . . -124.87 2.73 8.56 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.546 1.154 . . . . 0.0 111.039 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.647 ' CB ' ' O ' ' A' ' 38' ' ' GLY . 0.7 OUTLIER 93.53 -166.72 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.542 0.789 . . . . 0.0 110.417 179.949 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.947 ' HB ' ' O ' ' A' ' 91' ' ' THR . 0.8 OUTLIER -133.72 -141.21 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 109.319 179.921 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 2.1 m120 -108.42 155.48 20.52 Favored 'General case' 0 C--N 1.322 -0.59 0 O-C-N 124.573 1.171 . . . . 0.0 109.34 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.601 ' CG2' ' CB ' ' A' ' 58' ' ' ALA . 6.6 mt -120.07 130.26 74.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.495 1.122 . . . . 0.0 109.268 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.467 ' OG1' ' C ' ' A' ' 42' ' ' ILE . 3.5 m -159.09 161.74 36.46 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.421 1.076 . . . . 0.0 110.505 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . 1.088 ' CZ3' ' HB3' ' A' ' 88' ' ' CYS . 21.5 m95 -140.66 129.54 23.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.57 1.169 . . . . 0.0 108.007 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 7.7 tp -91.0 104.55 17.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.547 1.154 . . . . 0.0 109.278 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.43 ' HA ' ' O ' ' A' ' 85' ' ' THR . 1.0 OUTLIER -100.51 152.93 19.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.629 1.206 . . . . 0.0 110.349 179.977 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.476 ' CB ' ' HB ' ' A' ' 85' ' ' THR . 0.4 OUTLIER . . . . . 0 C--N 1.324 -0.519 0 O-C-N 124.463 1.102 . . . . 0.0 109.315 -179.908 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.468 ' HB2' ' CB ' ' A' ' 75' ' ' LEU . 3.5 p30 . . . . . 0 N--CA 1.452 -0.336 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.696 ' CD2' ' N ' ' A' ' 56' ' ' SER . 0.0 OUTLIER -136.58 160.88 37.46 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.47 1.106 . . . . 0.0 109.375 179.944 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.824 ' HB2' ' CE2' ' A' ' 44' ' ' TRP . 0.1 OUTLIER -126.14 128.73 47.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.14 . . . . 0.0 109.984 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' THR . . . . . 0.452 ' O ' ' N ' ' A' ' 72' ' ' GLU . 0.3 OUTLIER -133.16 159.07 41.23 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.442 1.089 . . . . 0.0 110.362 179.969 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.893 ' CB ' ' HA ' ' A' ' 71' ' ' SER . . . -134.6 150.96 50.75 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.541 1.151 . . . . 0.0 109.327 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' SER . . . . . 0.603 ' O ' ' HA ' ' A' ' 69' ' ' THR . 0.1 OUTLIER -107.96 148.02 30.24 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.554 1.159 . . . . 0.0 109.998 -179.94 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' THR . . . . . 0.403 ' HA ' ' OG1' ' A' ' 69' ' ' THR . 2.2 t -105.16 143.49 33.27 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.539 1.149 . . . . 0.0 110.501 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' THR . . . . . 0.741 ' OG1' ' O ' ' A' ' 68' ' ' SER . 0.8 OUTLIER -138.36 158.58 44.0 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.523 1.139 . . . . 0.0 110.357 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -99.68 125.56 45.56 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.417 1.073 . . . . 0.0 110.276 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -128.1 66.0 1.37 Allowed 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.357 1.036 . . . . 0.0 110.295 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 74.41 -108.08 2.43 Favored Glycine 0 CA--C 1.529 0.932 0 O-C-N 124.5 1.125 . . . . 0.0 111.047 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -100.84 0.64 38.99 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.508 0.77 . . . . 0.0 110.32 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.71 ' HB3' ' HA2' ' A' ' 34' ' ' GLY . 5.9 mp -112.5 176.54 4.97 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.53 1.144 . . . . 0.0 109.296 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.756 ' CB ' ' O ' ' A' ' 36' ' ' THR . . . -134.95 121.59 20.72 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.501 1.125 . . . . 0.0 109.169 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' SER . . . . . 0.846 ' HA ' ' CB ' ' A' ' 33' ' ' SER . 26.7 t -102.68 120.12 40.02 Favored 'General case' 0 C--N 1.327 -0.375 0 O-C-N 124.413 1.07 . . . . 0.0 110.006 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' THR . . . . . 0.646 ' HB ' ' OH ' ' A' ' 35' ' ' TYR . 0.9 OUTLIER -123.89 115.72 21.74 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.355 1.034 . . . . 0.0 110.348 -179.944 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . 0.486 ' O ' ' HA ' ' A' ' 58' ' ' ALA . 1.2 pt20 -97.8 122.89 41.43 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.387 1.055 . . . . 0.0 110.227 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' SER . . . . . 0.893 ' HA ' ' CB ' ' A' ' 58' ' ' ALA . 1.1 t -100.4 154.03 18.84 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.468 1.105 . . . . 0.0 110.025 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.755 ' HA ' ' HA ' ' A' ' 29' ' ' LEU . 1.1 mt-10 -146.45 156.3 43.19 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.492 1.12 . . . . 0.0 110.264 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.654 ' HB3' ' O ' ' A' ' 28' ' ' LEU . 25.0 tp -135.77 141.26 44.78 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.437 1.086 . . . . 0.0 109.245 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -138.16 115.9 11.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.433 1.083 . . . . 0.0 110.436 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.498 ' CD2' HG21 ' A' ' 26' ' ' ILE . 0.4 OUTLIER -141.45 157.6 44.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.254 -179.977 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' SER . . . . . 0.479 ' O ' ' CD1' ' A' ' 75' ' ' LEU . 0.2 OUTLIER -84.95 143.66 28.83 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.53 1.143 . . . . 0.0 109.984 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . 0.41 ' HG3' ' N ' ' A' ' 78' ' ' LYS . 19.0 pt20 -57.16 -31.7 65.64 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.499 1.124 . . . . 0.0 110.246 -179.875 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.41 ' N ' ' HG3' ' A' ' 77' ' ' GLN . 0.0 OUTLIER -52.79 -57.51 9.94 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.571 1.17 . . . . 0.0 109.323 -179.981 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -56.7 -37.86 71.5 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 109.583 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' TRP . . . . . 0.922 ' CZ3' ' CZ ' ' A' ' 86' ' ' TYR . 8.9 t-105 -62.47 -36.98 84.18 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 107.962 -1.125 . . . . 0.0 107.962 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -69.84 -32.8 71.4 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.579 1.174 . . . . 0.0 109.251 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' SER . . . . . 0.461 ' O ' ' HB3' ' A' ' 83' ' ' ASP . 1.4 t -76.25 4.7 8.22 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.461 1.1 . . . . 0.0 110.017 -179.908 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . 0.463 ' OD1' ' N ' ' A' ' 84' ' ' ARG . 0.2 OUTLIER 67.38 143.67 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.398 0 O-C-N 124.534 1.146 . . . . 0.0 109.314 -179.968 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . 0.463 ' N ' ' OD1' ' A' ' 83' ' ' ASP . 0.0 OUTLIER 179.33 -171.25 0.14 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 110.28 179.921 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' THR . . . . . 0.476 ' HB ' ' CB ' ' A' ' 47' ' ' ASP . 0.7 OUTLIER -134.05 129.72 36.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 0.0 110.463 179.968 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . 0.922 ' CZ ' ' CZ3' ' A' ' 80' ' ' TRP . 0.0 OUTLIER -127.44 116.44 20.44 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.485 1.116 . . . . 0.0 111.092 179.929 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' THR . . . . . 1.447 ' HA ' ' CB ' ' A' ' 100' ' ' SER . 8.6 m -139.4 137.71 35.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.669 1.231 . . . . 0.0 110.408 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' CYS . . . . . 1.088 ' HB3' ' CZ3' ' A' ' 44' ' ' TRP . 22.2 p -97.21 100.24 11.71 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.487 1.117 . . . . 0.0 108.332 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . 0.45 ' H ' ' HA ' ' A' ' 44' ' ' TRP . 5.7 tt0 -93.04 116.94 29.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.149 . . . . 0.0 110.333 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.567 HG11 ' CE1' ' A' ' 92' ' ' TYR . 2.7 t -105.03 136.51 38.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.385 1.053 . . . . 0.0 109.283 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' THR . . . . . 0.947 ' O ' ' HB ' ' A' ' 40' ' ' ILE . 1.0 OUTLIER -110.76 165.7 11.62 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.616 1.197 . . . . 0.0 110.326 -179.948 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . 0.777 ' CD1' HD11 ' A' ' 40' ' ' ILE . 8.8 m-85 -140.85 156.61 46.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.45 1.094 . . . . 0.0 110.993 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -47.82 -24.79 1.07 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.487 1.117 . . . . 0.0 110.319 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -156.78 35.83 0.57 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.401 1.063 . . . . 0.0 110.973 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' HIS . . . . . 0.517 ' CA ' ' HB2' ' A' ' 92' ' ' TYR . 1.2 t-80 -161.71 178.52 8.92 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.553 0.796 . . . . 0.0 109.591 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' THR . . . . . 0.415 ' O ' ' CD2' ' A' ' 97' ' ' PHE . 6.0 t -159.22 167.09 29.91 Favored 'General case' 0 C--N 1.323 -0.576 0 O-C-N 124.519 1.137 . . . . 0.0 110.448 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . 0.435 ' CD1' ' CG1' ' A' ' 9' ' ' VAL . 4.4 m-85 -162.48 161.85 27.24 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.538 1.149 . . . . 0.0 111.033 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . 0.444 ' HG3' ' CB ' ' A' ' 89' ' ' GLN . 7.7 tt0 -159.2 115.04 2.56 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.393 1.058 . . . . 0.0 110.289 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . 0.567 ' O ' ' SG ' ' A' ' 88' ' ' CYS . 1.0 OUTLIER -144.17 125.12 14.34 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.414 1.071 . . . . 0.0 109.357 -179.973 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' SER . . . . . 1.447 ' CB ' ' HA ' ' A' ' 87' ' ' THR . 0.3 OUTLIER -173.13 -151.32 0.05 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.471 1.107 . . . . 0.0 109.984 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' THR . . . . . 0.578 HG22 ' CE1' ' A' ' 86' ' ' TYR . 3.8 t -138.0 -179.78 5.98 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 110.406 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . 0.449 ' N ' ' OG1' ' A' ' 101' ' ' THR . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.516 0 O-C-N 124.586 1.179 . . . . 0.0 109.306 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.57 ' O ' ' HA ' ' A' ' 32' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.451 -0.391 0 N-CA-C 110.426 -0.212 . . . . 0.0 110.426 . . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.583 ' CG2' HG21 ' A' ' 32' ' ' VAL . 3.3 p -128.91 139.7 51.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.52 1.138 . . . . 0.0 109.252 -179.876 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.554 ' N ' ' O ' ' A' ' 31' ' ' LEU . 8.8 tptt -136.89 149.93 47.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 109.268 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.594 HG12 ' HA ' ' A' ' 100' ' ' SER . 0.5 OUTLIER -128.09 118.71 49.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.426 1.079 . . . . 0.0 109.268 -179.939 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.607 ' O ' HD23 ' A' ' 12' ' ' LEU . 0.0 OUTLIER -128.38 148.09 50.68 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.468 1.105 . . . . 0.0 109.341 -179.944 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -108.97 146.29 34.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.125 . . . . 0.0 110.384 179.86 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 0.485 ' O ' ' HB2' ' A' ' 27' ' ' GLN . 6.5 t -132.52 79.13 1.84 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.462 1.101 . . . . 0.0 109.918 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 42.7 t . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.521 1.138 . . . . 0.0 109.971 179.963 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.403 ' HB ' ' O ' ' A' ' 75' ' ' LEU . 82.4 p . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 110.365 -0.235 . . . . 0.0 110.365 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.764 ' CD1' ' CZ3' ' A' ' 80' ' ' TRP . 0.4 OUTLIER -143.51 137.44 25.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.533 1.145 . . . . 0.0 109.305 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.486 ' HA ' ' O ' ' A' ' 73' ' ' LEU . 23.1 mt-30 -115.69 84.92 2.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.378 1.049 . . . . 0.0 110.355 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.563 ' O ' ' CB ' ' A' ' 73' ' ' LEU . 1.3 mt -92.62 104.51 16.8 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 109.354 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.65 ' HA ' ' HA ' ' A' ' 72' ' ' GLU . 8.6 mp -104.35 132.71 50.3 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 109.346 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.534 ' CB ' ' HB2' ' A' ' 71' ' ' SER . 0.1 OUTLIER -106.99 116.57 32.16 Favored 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.507 1.129 . . . . 0.0 108.26 -179.96 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.554 ' O ' ' N ' ' A' ' 10' ' ' LYS . 0.2 OUTLIER -92.08 113.0 25.15 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.556 1.16 . . . . 0.0 109.295 179.93 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.77 ' CG2' ' CE2' ' A' ' 35' ' ' TYR . 3.7 p -142.6 114.13 3.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.513 1.133 . . . . 0.0 109.265 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.903 ' CB ' ' HA ' ' A' ' 68' ' ' SER . 24.3 p -148.5 -175.94 5.12 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.599 1.187 . . . . 0.0 109.973 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.503 ' O ' ' HB3' ' A' ' 66' ' ' LEU . . . 80.37 -47.65 3.47 Favored Glycine 0 CA--C 1.529 0.923 0 O-C-N 124.352 1.033 . . . . 0.0 111.061 -179.895 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.913 ' OH ' ' HB ' ' A' ' 69' ' ' THR . 7.4 p90 -60.63 144.93 50.76 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.504 0.767 . . . . 0.0 111.123 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.738 ' O ' ' CB ' ' A' ' 67' ' ' ALA . 7.7 m 48.64 138.34 0.0 OUTLIER Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.42 1.075 . . . . 0.0 110.395 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.409 ' C ' ' HB1' ' A' ' 67' ' ' ALA . 17.9 Cg_endo -75.08 -9.59 20.73 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.656 1.871 . . . . 0.0 111.018 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . 0.671 ' O ' ' CB ' ' A' ' 39' ' ' THR . . . -124.07 3.55 9.08 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.393 1.058 . . . . 0.0 111.108 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.671 ' CB ' ' O ' ' A' ' 38' ' ' GLY . 0.8 OUTLIER 95.41 -167.91 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.39 0 O-C-N 124.456 0.739 . . . . 0.0 110.398 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.993 ' HB ' ' O ' ' A' ' 91' ' ' THR . 2.0 pt -132.9 -143.11 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.544 1.152 . . . . 0.0 109.226 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 8.0 m-80 -111.9 150.19 30.81 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.512 1.132 . . . . 0.0 109.295 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.569 ' CG2' ' CB ' ' A' ' 58' ' ' ALA . 4.7 mt -115.23 123.27 70.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 109.403 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.531 ' C ' ' CD1' ' A' ' 44' ' ' TRP . 2.6 m -148.98 160.98 42.81 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.582 1.176 . . . . 0.0 110.276 -179.915 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . 1.112 ' CZ3' ' HB3' ' A' ' 88' ' ' CYS . 18.9 m95 -145.27 131.34 19.33 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.475 1.109 . . . . 0.0 108.027 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 14.4 tp -94.56 103.7 15.65 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.468 1.105 . . . . 0.0 109.268 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 52.4 tt0 -100.5 86.59 3.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.113 . . . . 0.0 110.341 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.547 ' CB ' ' HB ' ' A' ' 85' ' ' THR . 0.4 OUTLIER . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.399 1.062 . . . . 0.0 109.332 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.518 ' HB2' ' CB ' ' A' ' 75' ' ' LEU . 2.7 p30 . . . . . 0 N--CA 1.454 -0.23 0 N-CA-C 109.238 -0.652 . . . . 0.0 109.238 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.672 HD23 ' C ' ' A' ' 56' ' ' SER . 0.0 OUTLIER -139.06 161.84 36.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 109.279 179.883 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.839 ' HB2' ' CE2' ' A' ' 44' ' ' TRP . 1.4 p -128.21 129.56 46.64 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.444 1.09 . . . . 0.0 109.944 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -130.94 159.42 37.51 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 0.0 110.377 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.733 ' CB ' ' HA ' ' A' ' 71' ' ' SER . . . -130.95 152.19 50.54 Favored 'General case' 0 C--N 1.327 -0.403 0 O-C-N 124.424 1.077 . . . . 0.0 109.301 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' SER . . . . . 0.589 ' N ' ' O ' ' A' ' 70' ' ' GLN . 0.1 OUTLIER -105.8 163.11 12.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 0.0 110.001 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' THR . . . . . 0.531 HG23 ' CG2' ' A' ' 39' ' ' THR . 1.4 m -108.65 141.83 40.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 110.43 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' THR . . . . . 0.789 ' OG1' ' O ' ' A' ' 68' ' ' SER . 0.0 OUTLIER -142.84 159.26 42.57 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.601 1.188 . . . . 0.0 110.49 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -102.77 130.78 49.85 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.101 . . . . 0.0 110.331 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -127.82 60.28 1.45 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.618 1.199 . . . . 0.0 110.342 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 73.58 -105.12 1.72 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.36 1.038 . . . . 0.0 111.036 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -100.1 -1.28 37.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 0.755 . . . . 0.0 110.247 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.503 ' HB3' ' O ' ' A' ' 34' ' ' GLY . 0.1 OUTLIER -111.57 176.31 5.07 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.515 1.134 . . . . 0.0 109.309 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.738 ' CB ' ' O ' ' A' ' 36' ' ' THR . . . -127.91 119.52 25.74 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.501 1.125 . . . . 0.0 109.291 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' SER . . . . . 0.903 ' HA ' ' CB ' ' A' ' 33' ' ' SER . 41.9 t -105.5 121.58 44.24 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.51 1.131 . . . . 0.0 109.904 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' THR . . . . . 0.913 ' HB ' ' OH ' ' A' ' 35' ' ' TYR . 0.7 OUTLIER -124.05 118.81 27.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.12 . . . . 0.0 110.324 179.91 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . 0.589 ' O ' ' N ' ' A' ' 59' ' ' SER . 5.5 mt-30 -91.12 129.55 37.11 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.583 1.177 . . . . 0.0 110.27 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' SER . . . . . 0.733 ' HA ' ' CB ' ' A' ' 58' ' ' ALA . 0.9 OUTLIER -110.9 144.52 39.83 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.383 1.052 . . . . 0.0 109.972 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.65 ' HA ' ' HA ' ' A' ' 29' ' ' LEU . 1.1 mt-10 -136.33 156.16 49.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.422 1.076 . . . . 0.0 110.324 -179.908 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.669 ' CB ' ' HB3' ' A' ' 56' ' ' SER . 8.0 tt -138.12 137.53 37.79 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 0.0 109.326 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -136.47 114.63 11.54 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.459 1.099 . . . . 0.0 110.394 -179.888 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.635 ' CD2' HG22 ' A' ' 26' ' ' ILE . 0.8 OUTLIER -141.64 158.39 43.88 Favored 'General case' 0 C--N 1.323 -0.56 0 O-C-N 124.575 1.172 . . . . 0.0 109.337 179.913 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' SER . . . . . 0.517 ' O ' ' CD1' ' A' ' 75' ' ' LEU . 0.5 OUTLIER -84.22 139.28 32.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.428 1.08 . . . . 0.0 109.983 -179.911 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 17.4 tt0 -61.3 -33.75 74.09 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.511 1.132 . . . . 0.0 110.271 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -52.55 -56.96 11.62 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.458 1.099 . . . . 0.0 109.337 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . 0.629 ' CD2' ' C ' ' A' ' 79' ' ' HIS . 0.0 OUTLIER -54.27 -42.9 70.49 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.454 1.096 . . . . 0.0 109.476 -179.967 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' TRP . . . . . 0.867 ' CE3' ' CZ ' ' A' ' 86' ' ' TYR . 8.5 t-105 -53.0 -35.51 59.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.567 1.167 . . . . 0.0 107.984 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.448 ' C ' ' H ' ' A' ' 83' ' ' ASP . 0.7 OUTLIER -67.45 -37.31 82.79 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.094 . . . . 0.0 109.321 -179.952 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' SER . . . . . 0.449 ' O ' ' HB2' ' A' ' 83' ' ' ASP . 28.1 t -79.34 22.11 0.45 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.581 1.176 . . . . 0.0 109.945 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . 0.449 ' HB2' ' O ' ' A' ' 82' ' ' SER . 2.2 m-20 62.92 149.3 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.382 1.051 . . . . 0.0 109.287 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . 0.566 ' CB ' ' NE2' ' A' ' 79' ' ' HIS . 0.0 OUTLIER 179.7 160.88 0.84 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.615 1.197 . . . . 0.0 110.35 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' THR . . . . . 0.547 ' HB ' ' CB ' ' A' ' 47' ' ' ASP . 1.2 m -121.38 101.02 7.36 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.445 1.091 . . . . 0.0 110.406 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . 0.867 ' CZ ' ' CE3' ' A' ' 80' ' ' TRP . 0.0 OUTLIER -103.82 120.35 40.8 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.483 1.114 . . . . 0.0 110.99 -179.932 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' THR . . . . . 1.412 ' HA ' ' CB ' ' A' ' 100' ' ' SER . 2.2 m -144.87 133.66 22.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 110.342 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' CYS . . . . . 1.112 ' HB3' ' CZ3' ' A' ' 44' ' ' TRP . 6.4 p -95.8 99.47 11.29 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.56 1.162 . . . . 0.0 108.319 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . 0.4 ' CA ' ' HG3' ' A' ' 98' ' ' GLU . 4.8 tt0 -92.56 107.72 19.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 110.304 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.6 HG11 ' CE1' ' A' ' 92' ' ' TYR . 0.5 OUTLIER -100.0 122.36 51.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 O-C-N 124.518 1.136 . . . . 0.0 109.215 -179.951 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' THR . . . . . 0.993 ' O ' ' HB ' ' A' ' 40' ' ' ILE . 1.0 OUTLIER -101.29 164.46 11.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.562 1.164 . . . . 0.0 110.359 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . 0.823 ' HA ' ' HB ' ' A' ' 40' ' ' ILE . 1.8 m-85 -134.16 154.24 51.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.41 1.069 . . . . 0.0 110.99 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -50.72 -22.47 2.11 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.585 1.178 . . . . 0.0 110.247 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -152.26 34.35 0.84 Allowed Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.495 1.122 . . . . 0.0 111.026 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' HIS . . . . . 0.531 ' CA ' ' HB2' ' A' ' 92' ' ' TYR . 1.7 t-160 -165.08 176.18 8.77 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.568 0.805 . . . . 0.0 109.654 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 14.6 t -159.16 154.67 25.85 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.521 1.138 . . . . 0.0 110.471 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . 0.522 ' CD1' HG11 ' A' ' 9' ' ' VAL . 0.2 OUTLIER -163.68 160.72 23.04 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.544 1.153 . . . . 0.0 110.962 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . 0.447 ' HG2' ' CG2' ' A' ' 87' ' ' THR . 28.1 tt0 -157.15 133.82 10.02 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.111 . . . . 0.0 110.208 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . 0.719 ' O ' ' SG ' ' A' ' 88' ' ' CYS . 46.5 m-20 -154.96 127.63 8.02 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.443 1.089 . . . . 0.0 109.418 179.893 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' SER . . . . . 1.412 ' CB ' ' HA ' ' A' ' 87' ' ' THR . 1.1 t -172.41 -151.14 0.06 Allowed 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.471 1.107 . . . . 0.0 109.889 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' THR . . . . . 0.568 HG23 ' CD1' ' A' ' 86' ' ' TYR . 5.0 t -138.53 174.47 10.5 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.433 1.083 . . . . 0.0 110.394 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.449 0 O-C-N 124.703 1.252 . . . . 0.0 109.314 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.603 ' O ' ' HA ' ' A' ' 32' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 110.346 -0.242 . . . . 0.0 110.346 . . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.693 HG12 ' CG ' ' A' ' 97' ' ' PHE . 4.3 p -132.94 142.26 42.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 O-C-N 124.443 1.09 . . . . 0.0 109.161 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.544 ' N ' ' O ' ' A' ' 31' ' ' LEU . 2.8 mttt -142.12 166.33 25.01 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.612 1.195 . . . . 0.0 109.311 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.551 ' CG1' ' O ' ' A' ' 99' ' ' ASP . 0.2 OUTLIER -130.28 120.35 48.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 109.244 -179.972 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.525 ' HB2' ' CD1' ' A' ' 29' ' ' LEU . 57.4 mt -124.3 130.82 53.18 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.111 . . . . 0.0 109.399 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . 0.478 ' HB3' ' CD2' ' A' ' 28' ' ' LEU . 0.0 OUTLIER -107.49 141.24 39.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.451 1.094 . . . . 0.0 110.285 -179.952 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 0.461 ' HB3' ' CB ' ' A' ' 27' ' ' GLN . 0.1 OUTLIER -132.5 72.7 1.5 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.609 1.193 . . . . 0.0 109.965 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 3.1 t . . . . . 0 C--N 1.326 -0.434 0 O-C-N 124.486 1.116 . . . . 0.0 109.937 -179.962 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.484 ' CB ' ' O ' ' A' ' 75' ' ' LEU . 1.1 p . . . . . 0 N--CA 1.452 -0.338 0 N-CA-C 110.493 -0.188 . . . . 0.0 110.493 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.867 ' CD1' ' CZ3' ' A' ' 80' ' ' TRP . 2.4 tt -109.8 133.25 55.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 O-C-N 124.454 1.096 . . . . 0.0 109.353 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.494 ' HA ' ' O ' ' A' ' 73' ' ' LEU . 5.7 mt-30 -115.05 77.94 1.12 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 110.31 -179.911 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.558 ' O ' ' HB3' ' A' ' 73' ' ' LEU . 0.5 OUTLIER -96.76 109.3 21.99 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.444 1.09 . . . . 0.0 109.325 -179.938 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.829 ' HA ' ' HA ' ' A' ' 72' ' ' GLU . 0.4 OUTLIER -112.87 131.35 55.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 109.261 -179.926 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.509 ' SG ' ' O ' ' A' ' 10' ' ' LYS . 0.1 OUTLIER -90.87 150.47 21.52 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.125 . . . . 0.0 108.351 179.844 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.544 ' O ' ' N ' ' A' ' 10' ' ' LYS . 4.2 mp -114.45 96.57 5.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.551 1.157 . . . . 0.0 109.343 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.938 HG13 ' O ' ' A' ' 32' ' ' VAL . 1.3 p -128.63 108.85 18.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.263 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.832 ' CB ' ' HA ' ' A' ' 68' ' ' SER . 6.4 p -148.66 178.99 8.17 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.462 1.101 . . . . 0.0 110.047 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.655 ' HA2' ' HB3' ' A' ' 66' ' ' LEU . . . 81.42 -46.14 3.37 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.513 1.133 . . . . 0.0 111.032 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.758 ' CE2' ' CG2' ' A' ' 32' ' ' VAL . 4.4 p90 -63.07 148.92 46.43 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.577 0.81 . . . . 0.0 111.036 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.784 ' O ' ' CB ' ' A' ' 67' ' ' ALA . 5.8 m 48.03 135.46 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.551 1.157 . . . . 0.0 110.426 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.41 ' C ' ' HB2' ' A' ' 67' ' ' ALA . 18.2 Cg_endo -75.18 -8.43 19.85 Favored 'Trans proline' 0 C--N 1.362 1.242 0 O-C-N 124.455 1.766 . . . . 0.0 110.948 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . 0.597 ' O ' ' CB ' ' A' ' 39' ' ' THR . . . -127.24 6.48 7.2 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.539 1.15 . . . . 0.0 110.993 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.597 ' CB ' ' O ' ' A' ' 38' ' ' GLY . 0.5 OUTLIER 90.01 -167.97 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.552 0.795 . . . . 0.0 110.424 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.906 ' HB ' ' O ' ' A' ' 91' ' ' THR . 1.1 pt -135.26 -139.83 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.59 1.182 . . . . 0.0 109.328 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . 0.459 ' HB2' ' CG2' ' A' ' 91' ' ' THR . 2.2 m-20 -109.4 159.05 17.33 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.429 1.08 . . . . 0.0 109.314 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.555 ' CG2' ' CB ' ' A' ' 58' ' ' ALA . 13.6 mm -125.69 126.59 70.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.689 1.243 . . . . 0.0 109.281 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.48 ' C ' ' CD1' ' A' ' 44' ' ' TRP . 10.1 m -158.8 161.38 36.94 Favored 'General case' 0 C--N 1.323 -0.556 0 O-C-N 124.557 1.161 . . . . 0.0 110.408 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . 1.027 ' CZ3' ' HB3' ' A' ' 88' ' ' CYS . 16.4 m95 -140.82 129.42 22.76 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 108.011 -1.107 . . . . 0.0 108.011 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -82.34 97.29 8.25 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.589 1.181 . . . . 0.0 109.255 -179.886 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.467 ' HA ' ' O ' ' A' ' 85' ' ' THR . 5.2 tm-20 -97.67 125.27 42.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.381 1.05 . . . . 0.0 110.288 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.534 ' CB ' ' HB ' ' A' ' 85' ' ' THR . 0.2 OUTLIER . . . . . 0 C--N 1.324 -0.537 0 O-C-N 124.585 1.178 . . . . 0.0 109.293 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.471 ' HB3' ' HB2' ' A' ' 75' ' ' LEU . 9.9 m-20 . . . . . 0 N--CA 1.452 -0.339 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.68 ' CD2' ' N ' ' A' ' 56' ' ' SER . 0.0 OUTLIER -139.73 161.11 38.34 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.612 1.195 . . . . 0.0 109.271 -179.894 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.808 ' HB2' ' CE2' ' A' ' 44' ' ' TRP . 0.0 OUTLIER -123.79 132.49 53.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.538 1.149 . . . . 0.0 109.985 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' THR . . . . . 0.435 ' O ' ' N ' ' A' ' 72' ' ' GLU . 0.3 OUTLIER -134.91 158.36 44.48 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.492 1.12 . . . . 0.0 110.362 -179.883 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.807 ' CB ' ' HA ' ' A' ' 71' ' ' SER . . . -130.88 151.35 51.4 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.439 1.087 . . . . 0.0 109.257 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' SER . . . . . 0.502 ' O ' ' HA ' ' A' ' 69' ' ' THR . 0.3 OUTLIER -105.14 154.96 19.49 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.434 1.084 . . . . 0.0 110.04 179.93 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' THR . . . . . 0.547 ' CG2' ' CB ' ' A' ' 39' ' ' THR . 1.2 m -106.49 142.3 36.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 110.348 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' THR . . . . . 0.734 ' OG1' ' O ' ' A' ' 68' ' ' SER . 0.2 OUTLIER -142.73 156.4 45.01 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.569 1.168 . . . . 0.0 110.362 -179.864 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 11.2 tt0 -100.35 128.24 46.46 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.481 1.113 . . . . 0.0 110.331 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -126.13 62.21 1.26 Allowed 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.494 1.121 . . . . 0.0 110.101 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 74.5 -105.5 1.87 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.447 1.092 . . . . 0.0 110.95 179.852 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -101.21 0.28 37.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 0.782 . . . . 0.0 110.309 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.655 ' HB3' ' HA2' ' A' ' 34' ' ' GLY . 6.6 mt -111.93 177.88 4.5 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.576 1.172 . . . . 0.0 109.373 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.784 ' CB ' ' O ' ' A' ' 36' ' ' THR . . . -132.14 118.49 19.66 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.593 1.183 . . . . 0.0 109.252 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' SER . . . . . 0.832 ' HA ' ' CB ' ' A' ' 33' ' ' SER . 48.5 t -102.72 122.93 45.45 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 109.992 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' THR . . . . . 0.691 ' HB ' ' OH ' ' A' ' 35' ' ' TYR . 0.9 OUTLIER -126.9 120.36 29.01 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.503 1.127 . . . . 0.0 110.341 179.962 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . 0.524 ' O ' ' HA ' ' A' ' 58' ' ' ALA . 1.2 tt0 -98.69 124.29 43.42 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.457 1.098 . . . . 0.0 110.261 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' SER . . . . . 0.807 ' HA ' ' CB ' ' A' ' 58' ' ' ALA . 1.2 t -102.57 148.54 25.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.629 1.206 . . . . 0.0 110.01 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.829 ' HA ' ' HA ' ' A' ' 29' ' ' LEU . 51.7 tt0 -138.89 161.2 37.87 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.522 1.139 . . . . 0.0 110.303 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.567 ' HB2' ' HB3' ' A' ' 56' ' ' SER . 3.4 tp -140.68 139.01 34.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 0.0 109.232 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' THR . . . . . 0.422 ' HA ' ' O ' ' A' ' 26' ' ' ILE . 0.0 OUTLIER -135.99 114.33 11.62 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.487 1.117 . . . . 0.0 110.298 -179.915 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.6 ' CD2' ' CG2' ' A' ' 26' ' ' ILE . 0.1 OUTLIER -140.17 163.98 31.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.122 . . . . 0.0 109.245 179.965 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' SER . . . . . 0.515 ' O ' ' CD1' ' A' ' 75' ' ' LEU . 0.4 OUTLIER -86.18 144.16 27.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 110.0 -179.965 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 7.2 tp60 -62.14 -44.71 96.03 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.608 1.192 . . . . 0.0 110.358 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 46.1 tttt -51.88 -47.21 64.62 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.405 1.066 . . . . 0.0 109.234 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . 0.52 ' O ' ' NE ' ' A' ' 84' ' ' ARG . 40.1 m-70 -56.0 -42.71 76.82 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.106 . . . . 0.0 109.63 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' TRP . . . . . 0.867 ' CZ3' ' CD1' ' A' ' 26' ' ' ILE . 6.9 t-105 -59.01 -31.5 68.87 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -62.63 -39.93 95.4 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.461 1.1 . . . . 0.0 109.311 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' SER . . . . . 0.484 ' HB3' HH21 ' A' ' 84' ' ' ARG . 3.1 m -72.05 -1.39 14.57 Favored 'General case' 0 C--N 1.327 -0.403 0 O-C-N 124.444 1.09 . . . . 0.0 110.017 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . 0.494 ' OD1' ' C ' ' A' ' 83' ' ' ASP . 0.0 OUTLIER 66.63 145.44 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 0.0 109.267 -179.97 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . 0.689 ' HG3' ' CE2' ' A' ' 86' ' ' TYR . 0.0 OUTLIER -172.6 -173.87 1.08 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.524 1.14 . . . . 0.0 110.222 -179.899 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' THR . . . . . 0.534 ' HB ' ' CB ' ' A' ' 47' ' ' ASP . 2.8 m -127.45 97.16 4.78 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.575 1.172 . . . . 0.0 110.447 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . 0.81 ' CZ ' ' CZ3' ' A' ' 80' ' ' TRP . 0.1 OUTLIER -108.03 102.33 11.51 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 110.988 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' THR . . . . . 1.415 ' HA ' ' CB ' ' A' ' 100' ' ' SER . 1.8 m -127.59 144.67 51.05 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.554 1.159 . . . . 0.0 110.433 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' CYS . . . . . 1.027 ' HB3' ' CZ3' ' A' ' 44' ' ' TRP . 29.8 p -95.15 102.24 14.04 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.524 1.14 . . . . 0.0 108.239 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . 0.518 ' H ' ' HA ' ' A' ' 44' ' ' TRP . 0.6 OUTLIER -94.6 108.7 20.66 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.558 1.162 . . . . 0.0 110.284 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.598 HG11 ' CE1' ' A' ' 92' ' ' TYR . 3.0 t -98.62 136.99 27.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.431 1.082 . . . . 0.0 109.278 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' THR . . . . . 0.906 ' O ' ' HB ' ' A' ' 40' ' ' ILE . 0.9 OUTLIER -110.08 169.63 8.6 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.42 1.075 . . . . 0.0 110.439 179.966 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . 0.827 ' CD2' HG22 ' A' ' 40' ' ' ILE . 14.7 m-85 -144.68 157.13 44.32 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.387 1.054 . . . . 0.0 110.949 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . 0.44 ' CG ' HG23 ' A' ' 36' ' ' THR . 2.2 mt-30 -46.83 -26.09 0.89 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.546 1.154 . . . . 0.0 110.408 179.86 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -157.09 35.8 0.56 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.484 1.115 . . . . 0.0 111.063 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' HIS . . . . . 0.507 ' CA ' ' HB2' ' A' ' 92' ' ' TYR . 6.7 t60 -158.16 173.94 15.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 0.777 . . . . 0.0 109.57 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 5.7 t -160.37 165.01 31.97 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.433 1.083 . . . . 0.0 110.338 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . 0.693 ' CG ' HG12 ' A' ' 9' ' ' VAL . 8.5 t80 -176.32 161.11 2.22 Favored 'General case' 0 N--CA 1.451 -0.406 0 O-C-N 124.447 1.092 . . . . 0.0 111.007 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . 0.488 ' HG2' ' CG2' ' A' ' 87' ' ' THR . 29.6 tt0 -157.2 134.94 10.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 110.381 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . 0.581 ' HB2' ' CZ ' ' A' ' 97' ' ' PHE . 0.5 OUTLIER -156.76 129.66 7.78 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.492 1.12 . . . . 0.0 109.244 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' SER . . . . . 1.415 ' CB ' ' HA ' ' A' ' 87' ' ' THR . 0.6 OUTLIER -174.49 -146.03 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.517 1.136 . . . . 0.0 109.929 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' THR . . . . . 0.746 HG23 ' CE1' ' A' ' 86' ' ' TYR . 2.1 t -135.62 -175.59 4.0 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.529 1.143 . . . . 0.0 110.453 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . 0.573 ' HA ' ' CE1' ' A' ' 86' ' ' TYR . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.309 1.006 . . . . 0.0 109.266 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.493 ' O ' HG23 ' A' ' 32' ' ' VAL . 1.8 t . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 110.458 -0.201 . . . . 0.0 110.458 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.53 HG11 ' CD1' ' A' ' 97' ' ' PHE . 3.1 p -134.05 147.5 30.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 0.0 109.285 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.517 ' N ' ' O ' ' A' ' 31' ' ' LEU . 12.3 mtpt -134.76 164.88 26.55 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.53 1.144 . . . . 0.0 109.282 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.504 HG13 ' N ' ' A' ' 100' ' ' SER . 0.4 OUTLIER -131.41 122.63 51.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.542 1.151 . . . . 0.0 109.218 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.52 ' CD1' ' CD1' ' A' ' 31' ' ' LEU . 40.6 mt -127.68 129.3 46.92 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.529 1.143 . . . . 0.0 109.294 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -105.23 138.82 40.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.542 1.151 . . . . 0.0 110.253 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 0.472 ' HB3' ' CB ' ' A' ' 27' ' ' GLN . 0.1 OUTLIER -132.91 73.76 1.54 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.538 1.149 . . . . 0.0 110.017 179.901 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 80.9 p . . . . . 0 C--N 1.324 -0.527 0 O-C-N 124.441 1.088 . . . . 0.0 110.029 -179.955 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.498 ' OG1' ' N ' ' A' ' 26' ' ' ILE . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.353 0 N-CA-C 110.396 -0.224 . . . . 0.0 110.396 . . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.757 ' CD1' ' CZ3' ' A' ' 80' ' ' TRP . 0.6 OUTLIER -107.82 135.75 45.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.578 1.174 . . . . 0.0 109.329 179.905 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.51 ' HA ' ' O ' ' A' ' 73' ' ' LEU . 2.1 mt-30 -118.28 78.99 1.31 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 110.346 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.511 ' O ' ' N ' ' A' ' 73' ' ' LEU . 1.5 mt -96.98 107.95 20.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.277 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.68 ' HA ' ' HA ' ' A' ' 72' ' ' GLU . 0.4 OUTLIER -115.12 129.63 56.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.14 . . . . 0.0 109.313 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.546 ' HB2' ' HB2' ' A' ' 71' ' ' SER . 87.9 m -91.22 167.89 12.0 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.656 1.223 . . . . 0.0 108.281 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.52 ' CD1' ' CD1' ' A' ' 12' ' ' LEU . 4.9 mp -127.64 94.88 4.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.13 . . . . 0.0 109.311 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.818 HG13 ' O ' ' A' ' 32' ' ' VAL . 2.5 p -122.13 119.5 58.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.604 1.19 . . . . 0.0 109.3 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.903 ' CB ' ' HA ' ' A' ' 68' ' ' SER . 12.6 p -156.04 -177.33 6.5 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.555 1.16 . . . . 0.0 109.978 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.532 ' HA2' ' CD2' ' A' ' 66' ' ' LEU . . . 80.56 -45.91 3.18 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.411 1.069 . . . . 0.0 110.934 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.74 ' CD1' HD11 ' A' ' 40' ' ' ILE . 4.2 p90 -63.4 152.6 37.72 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.629 0.84 . . . . 0.0 111.028 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.685 ' O ' ' CB ' ' A' ' 67' ' ' ALA . 4.0 m 50.65 144.31 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 110.389 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.483 ' C ' ' HB2' ' A' ' 67' ' ' ALA . 18.5 Cg_endo -74.89 -13.23 21.72 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.488 1.783 . . . . 0.0 111.077 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . 0.556 ' O ' ' CB ' ' A' ' 39' ' ' THR . . . -123.95 -52.08 0.2 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.56 1.162 . . . . 0.0 110.993 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.572 ' CG2' ' N ' ' A' ' 40' ' ' ILE . 0.9 OUTLIER 162.12 173.06 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.56 0 O-C-N 124.567 0.804 . . . . 0.0 110.424 -179.956 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.906 ' HB ' ' O ' ' A' ' 91' ' ' THR . 1.3 pt -117.05 -139.51 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 O-C-N 124.465 1.103 . . . . 0.0 109.245 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . 0.507 ' HB3' ' CG2' ' A' ' 91' ' ' THR . 10.1 t-20 -113.66 152.31 30.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.585 1.178 . . . . 0.0 109.242 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.566 ' CG2' ' CB ' ' A' ' 58' ' ' ALA . 3.6 mt -122.24 118.51 55.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.1 . . . . 0.0 109.338 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.501 ' C ' ' CD1' ' A' ' 44' ' ' TRP . 3.2 m -149.25 161.41 42.07 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.453 1.095 . . . . 0.0 110.488 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . 1.026 ' CZ3' ' HB3' ' A' ' 88' ' ' CYS . 13.2 m95 -141.55 130.27 22.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.571 1.169 . . . . 0.0 108.016 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -100.54 118.21 36.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.552 1.157 . . . . 0.0 109.27 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -99.51 155.85 17.35 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.527 1.142 . . . . 0.0 110.378 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.487 ' HB3' ' CG2' ' A' ' 85' ' ' THR . 0.3 OUTLIER . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.463 1.102 . . . . 0.0 109.301 -179.906 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.564 ' CB ' ' HB2' ' A' ' 75' ' ' LEU . 8.7 p-10 . . . . . 0 N--CA 1.454 -0.264 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.667 ' CD2' ' N ' ' A' ' 56' ' ' SER . 0.0 OUTLIER -137.9 155.07 49.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.422 1.077 . . . . 0.0 109.261 179.956 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.873 ' HB2' ' CE2' ' A' ' 44' ' ' TRP . 0.1 OUTLIER -125.06 129.16 49.7 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.559 1.162 . . . . 0.0 109.938 -179.868 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' THR . . . . . 0.482 ' O ' ' N ' ' A' ' 72' ' ' GLU . 0.3 OUTLIER -131.78 160.16 36.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.55 1.156 . . . . 0.0 110.358 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.789 ' CB ' ' HA ' ' A' ' 71' ' ' SER . . . -129.82 156.0 45.07 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.43 1.081 . . . . 0.0 109.393 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' SER . . . . . 0.516 ' N ' ' O ' ' A' ' 70' ' ' GLN . 1.3 t -104.83 169.49 8.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.612 1.195 . . . . 0.0 109.967 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' THR . . . . . 0.506 HG21 ' CB ' ' A' ' 39' ' ' THR . 1.9 m -106.85 145.54 32.03 Favored 'General case' 0 C--N 1.326 -0.413 0 O-C-N 124.515 1.134 . . . . 0.0 110.382 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' THR . . . . . 0.517 ' OG1' ' CB ' ' A' ' 68' ' ' SER . 0.6 OUTLIER -138.44 156.25 47.74 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.501 1.126 . . . . 0.0 110.389 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -118.26 133.21 56.08 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.38 1.05 . . . . 0.0 110.312 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -138.07 63.24 1.54 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.567 1.167 . . . . 0.0 110.371 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 71.57 -106.67 1.96 Allowed Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.52 1.137 . . . . 0.0 110.977 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -95.97 -1.64 48.66 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.495 0.762 . . . . 0.0 110.333 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.532 ' CD2' ' HA2' ' A' ' 34' ' ' GLY . 2.6 mp -105.86 166.29 10.58 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.371 1.044 . . . . 0.0 109.395 179.853 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.685 ' CB ' ' O ' ' A' ' 36' ' ' THR . . . -133.17 118.99 19.32 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.46 1.1 . . . . 0.0 109.237 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' SER . . . . . 0.903 ' HA ' ' CB ' ' A' ' 33' ' ' SER . 9.4 t -95.66 176.22 6.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.41 1.069 . . . . 0.0 110.081 179.885 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' THR . . . . . 0.73 ' HB ' ' OH ' ' A' ' 35' ' ' TYR . 1.1 m -169.53 119.68 0.67 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.13 . . . . 0.0 110.317 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . 0.599 ' O ' ' HA ' ' A' ' 58' ' ' ALA . 37.0 tt0 -95.66 111.79 23.65 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.427 1.08 . . . . 0.0 110.307 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' SER . . . . . 0.789 ' HA ' ' CB ' ' A' ' 58' ' ' ALA . 0.1 OUTLIER -94.63 139.61 30.97 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.495 1.122 . . . . 0.0 110.053 179.953 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.68 ' HA ' ' HA ' ' A' ' 29' ' ' LEU . 0.4 OUTLIER -135.64 155.67 50.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.378 1.049 . . . . 0.0 110.387 -179.965 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.618 ' CB ' ' HB3' ' A' ' 56' ' ' SER . 9.7 tt -137.28 138.7 40.32 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.58 1.175 . . . . 0.0 109.326 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' THR . . . . . 0.49 ' HA ' ' O ' ' A' ' 26' ' ' ILE . 0.0 OUTLIER -136.05 118.28 15.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 110.365 -179.942 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.665 HD22 ' CE2' ' A' ' 86' ' ' TYR . 0.3 OUTLIER -143.43 163.84 31.96 Favored 'General case' 0 N--CA 1.45 -0.432 0 O-C-N 124.459 1.099 . . . . 0.0 109.292 179.97 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' SER . . . . . 0.489 ' O ' ' CD1' ' A' ' 75' ' ' LEU . 22.8 t -85.38 131.75 34.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 109.958 -179.908 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . 0.455 ' N ' HE21 ' A' ' 77' ' ' GLN . 0.0 OUTLIER -53.65 -30.01 41.03 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.513 1.133 . . . . 0.0 110.245 -179.973 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 7.7 tttt -53.95 -54.67 35.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.248 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 1.3 m170 -56.59 -37.77 71.09 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.479 1.112 . . . . 0.0 109.578 -179.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' TRP . . . . . 0.906 ' CZ3' ' CE1' ' A' ' 86' ' ' TYR . 27.9 t-105 -61.18 -36.41 79.78 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 108.008 -1.108 . . . . 0.0 108.008 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -68.2 -35.78 78.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.427 1.079 . . . . 0.0 109.297 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' SER . . . . . 0.906 ' HG ' HH21 ' A' ' 84' ' ' ARG . 21.1 t -77.6 7.97 4.95 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.517 1.135 . . . . 0.0 110.008 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . 0.587 ' HB3' ' O ' ' A' ' 82' ' ' SER . 0.5 OUTLIER 69.36 147.38 0.06 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.496 1.122 . . . . 0.0 109.275 179.953 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . 0.906 HH21 ' HG ' ' A' ' 82' ' ' SER . 0.0 OUTLIER -178.64 175.29 1.1 Allowed 'General case' 0 C--N 1.327 -0.403 0 O-C-N 124.454 1.096 . . . . 0.0 110.338 -179.938 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' THR . . . . . 0.487 ' CG2' ' HB3' ' A' ' 47' ' ' ASP . 0.9 OUTLIER -135.8 110.29 8.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.13 . . . . 0.0 110.407 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . 0.906 ' CE1' ' CZ3' ' A' ' 80' ' ' TRP . 0.0 OUTLIER -108.91 137.15 47.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.549 1.155 . . . . 0.0 111.041 179.982 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' THR . . . . . 1.18 ' HA ' ' CB ' ' A' ' 100' ' ' SER . 0.2 OUTLIER -149.23 124.58 10.24 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.456 1.097 . . . . 0.0 110.323 -179.928 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' CYS . . . . . 1.026 ' HB3' ' CZ3' ' A' ' 44' ' ' TRP . 5.0 p -84.43 99.09 10.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.641 1.213 . . . . 0.0 108.304 179.9 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . 0.47 ' CA ' ' HG3' ' A' ' 98' ' ' GLU . 11.0 tt0 -88.64 101.84 14.37 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.42 1.075 . . . . 0.0 110.312 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.599 HG13 ' CE1' ' A' ' 92' ' ' TYR . 2.7 t -93.75 125.44 46.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.438 1.086 . . . . 0.0 109.317 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' THR . . . . . 0.906 ' O ' ' HB ' ' A' ' 40' ' ' ILE . 0.4 OUTLIER -98.78 170.18 8.95 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.574 1.172 . . . . 0.0 110.384 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . 0.781 ' CD2' HG21 ' A' ' 40' ' ' ILE . 7.9 m-85 -145.65 157.11 44.0 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.566 1.166 . . . . 0.0 111.007 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 1.5 pp0? -46.98 -24.44 0.61 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.414 1.071 . . . . 0.0 110.3 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -158.52 36.16 0.51 Allowed Glycine 0 CA--C 1.531 1.073 0 O-C-N 124.484 1.115 . . . . 0.0 111.062 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' HIS . . . . . 0.509 ' CA ' ' HB2' ' A' ' 92' ' ' TYR . 3.6 t60 -161.11 176.44 11.31 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.564 0.803 . . . . 0.0 109.731 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 6.0 t -158.22 165.75 34.1 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.46 1.1 . . . . 0.0 110.43 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . 0.53 ' CD1' HG11 ' A' ' 9' ' ' VAL . 0.3 OUTLIER -168.31 165.71 12.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.437 1.086 . . . . 0.0 110.999 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . 0.488 ' HG2' ' CG2' ' A' ' 87' ' ' THR . 17.5 tt0 -160.41 125.57 3.87 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.525 1.141 . . . . 0.0 110.164 -179.885 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . 0.595 ' O ' ' SG ' ' A' ' 88' ' ' CYS . 18.5 m-20 -155.4 129.23 8.62 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.501 1.126 . . . . 0.0 109.291 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' SER . . . . . 1.18 ' CB ' ' HA ' ' A' ' 87' ' ' THR . 41.0 t -164.59 -139.88 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 0.0 110.04 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' THR . . . . . 0.476 ' N ' ' OG ' ' A' ' 100' ' ' SER . 9.0 t -134.36 173.01 12.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 110.413 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . 0.418 ' O ' ' HG2' ' A' ' 102' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.323 -0.552 0 O-C-N 124.484 1.115 . . . . 0.0 109.291 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.492 ' O ' ' HA ' ' A' ' 32' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 110.437 -0.209 . . . . 0.0 110.437 . . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.568 ' CG2' HG23 ' A' ' 32' ' ' VAL . 2.6 p -132.16 141.59 44.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 109.297 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.509 ' N ' ' O ' ' A' ' 31' ' ' LEU . 2.7 mptt -136.02 159.91 40.25 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.487 1.117 . . . . 0.0 109.237 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.506 HG13 ' HA ' ' A' ' 100' ' ' SER . 0.1 OUTLIER -132.71 116.27 26.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 109.379 179.916 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.532 HD13 ' CD2' ' A' ' 31' ' ' LEU . 80.8 mt -122.86 133.58 54.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.564 1.165 . . . . 0.0 109.227 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . 0.497 ' HB3' ' CD2' ' A' ' 28' ' ' LEU . 0.0 OUTLIER -105.6 145.23 31.26 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.505 1.128 . . . . 0.0 110.278 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 0.456 ' HB3' ' CB ' ' A' ' 27' ' ' GLN . 0.1 OUTLIER -133.15 76.8 1.7 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.571 1.169 . . . . 0.0 110.017 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 25.9 t . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 110.042 179.971 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.433 ' CB ' ' O ' ' A' ' 75' ' ' LEU . 2.1 p . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 110.389 -0.226 . . . . 0.0 110.389 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.711 ' CD1' ' CZ3' ' A' ' 80' ' ' TRP . 0.0 OUTLIER -132.23 133.52 60.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.624 1.202 . . . . 0.0 109.198 -179.965 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.519 ' HA ' ' O ' ' A' ' 73' ' ' LEU . 0.0 OUTLIER -117.58 84.28 2.13 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.518 1.136 . . . . 0.0 110.282 179.861 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.537 ' O ' ' HB3' ' A' ' 73' ' ' LEU . 0.2 OUTLIER -100.74 108.48 20.33 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.445 1.091 . . . . 0.0 109.301 179.962 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.778 ' HA ' ' HA ' ' A' ' 72' ' ' GLU . 0.4 OUTLIER -111.73 129.17 56.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.646 1.216 . . . . 0.0 109.318 179.958 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.452 ' CB ' ' HB2' ' A' ' 71' ' ' SER . 0.1 OUTLIER -91.11 142.5 27.68 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.489 1.118 . . . . 0.0 108.325 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.532 ' CD2' HD13 ' A' ' 12' ' ' LEU . 0.0 OUTLIER -112.08 98.25 7.21 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.58 1.175 . . . . 0.0 109.323 179.89 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.701 ' CG2' ' HE2' ' A' ' 35' ' ' TYR . 2.7 p -128.45 120.07 51.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.524 1.14 . . . . 0.0 109.367 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.901 ' CB ' ' HA ' ' A' ' 68' ' ' SER . 10.8 p -156.48 178.8 9.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.459 1.1 . . . . 0.0 110.013 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.412 ' HA2' ' HB3' ' A' ' 66' ' ' LEU . . . 84.82 -44.29 3.35 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.527 1.142 . . . . 0.0 110.969 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.726 ' CD1' HD13 ' A' ' 40' ' ' ILE . 4.9 p90 -65.69 155.76 35.02 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.486 0.757 . . . . 0.0 110.923 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.707 ' O ' ' O ' ' A' ' 35' ' ' TYR . 3.6 m 48.83 144.17 0.01 OUTLIER Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.392 1.058 . . . . 0.0 110.378 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.505 ' C ' ' HB1' ' A' ' 67' ' ' ALA . 18.6 Cg_endo -75.0 -12.78 21.52 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.443 1.76 . . . . 0.0 110.935 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . 0.57 ' O ' ' CB ' ' A' ' 39' ' ' THR . . . -124.94 -51.88 0.18 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.4 1.062 . . . . 0.0 110.999 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.57 ' CB ' ' O ' ' A' ' 38' ' ' GLY . 0.9 OUTLIER 161.26 172.21 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.511 0.771 . . . . 0.0 110.418 179.975 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.962 ' HB ' ' O ' ' A' ' 91' ' ' THR . 1.3 pt -116.45 -142.59 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.531 1.144 . . . . 0.0 109.344 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . 0.479 ' OD1' ' N ' ' A' ' 41' ' ' ASN . 0.0 OUTLIER -112.12 128.31 56.18 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.541 1.15 . . . . 0.0 109.36 179.959 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.584 ' N ' ' CD1' ' A' ' 42' ' ' ILE . 0.5 OUTLIER -106.19 117.28 51.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.57 1.169 . . . . 0.0 109.236 -179.935 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.481 ' C ' ' CD1' ' A' ' 44' ' ' TRP . 8.8 t -149.42 166.54 28.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 110.398 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . 1.009 ' CZ3' ' HB3' ' A' ' 88' ' ' CYS . 11.4 m95 -139.49 128.59 23.77 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 0.0 108.007 179.888 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 10.0 tp -88.5 111.6 22.02 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.471 1.107 . . . . 0.0 109.25 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -100.94 142.96 31.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 110.359 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.524 ' CB ' ' HB ' ' A' ' 85' ' ' THR . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.616 1.197 . . . . 0.0 109.298 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.568 ' HB2' ' CB ' ' A' ' 75' ' ' LEU . 2.6 p30 . . . . . 0 N--CA 1.451 -0.38 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.671 ' CD2' ' N ' ' A' ' 56' ' ' SER . 0.0 OUTLIER -138.34 159.72 41.34 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.54 1.15 . . . . 0.0 109.369 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.891 ' HB2' ' CE2' ' A' ' 44' ' ' TRP . 0.0 OUTLIER -125.64 134.46 51.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 109.937 -179.943 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -132.48 153.75 50.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.448 1.093 . . . . 0.0 110.341 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.778 ' CB ' ' HA ' ' A' ' 71' ' ' SER . . . -134.94 151.81 51.18 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.487 1.117 . . . . 0.0 109.29 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' SER . . . . . 0.574 ' O ' ' HA ' ' A' ' 69' ' ' THR . 0.6 OUTLIER -109.72 161.44 15.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 109.996 -179.946 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 2.2 t -104.13 146.59 28.52 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.507 1.129 . . . . 0.0 110.416 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -139.56 160.83 38.94 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.505 1.128 . . . . 0.0 110.397 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 3.0 mp0 -107.84 130.68 54.97 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.54 1.15 . . . . 0.0 110.272 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.498 ' O ' ' CD1' ' A' ' 66' ' ' LEU . 20.5 mt-10 -130.68 64.42 1.56 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 110.338 179.898 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 71.31 -107.16 2.08 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.608 1.193 . . . . 0.0 111.011 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -95.84 -2.99 46.33 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.531 0.783 . . . . 0.0 110.37 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.498 ' CD1' ' O ' ' A' ' 63' ' ' GLU . 0.0 OUTLIER -110.0 174.27 5.94 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.112 . . . . 0.0 109.299 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.685 ' CB ' ' O ' ' A' ' 36' ' ' THR . . . -136.05 120.31 17.87 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.497 1.123 . . . . 0.0 109.323 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' SER . . . . . 0.901 ' HA ' ' CB ' ' A' ' 33' ' ' SER . 11.6 t -92.7 175.65 6.73 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.456 1.097 . . . . 0.0 110.005 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' THR . . . . . 0.693 ' HB ' ' OH ' ' A' ' 35' ' ' TYR . 1.2 m -170.12 117.66 0.56 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 110.38 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . 0.607 ' O ' ' HA ' ' A' ' 58' ' ' ALA . 0.1 OUTLIER -99.4 120.32 39.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 110.329 179.902 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' SER . . . . . 0.778 ' HA ' ' CB ' ' A' ' 58' ' ' ALA . 1.9 m -109.71 145.94 35.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.424 1.077 . . . . 0.0 109.953 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.778 ' HA ' ' HA ' ' A' ' 29' ' ' LEU . 20.6 tt0 -136.87 160.97 37.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.398 1.061 . . . . 0.0 110.31 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.618 ' HB2' ' HB3' ' A' ' 56' ' ' SER . 6.4 tp -138.65 140.46 38.87 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.513 1.133 . . . . 0.0 109.313 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -136.85 115.6 12.14 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.408 1.068 . . . . 0.0 110.491 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.568 ' CB ' ' HB2' ' A' ' 54' ' ' ASP . 0.4 OUTLIER -141.91 157.0 45.49 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.453 1.096 . . . . 0.0 109.282 -179.918 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' SER . . . . . 0.541 ' O ' ' CD1' ' A' ' 75' ' ' LEU . 39.1 t -86.48 137.22 32.7 Favored 'General case' 0 C--N 1.323 -0.583 0 O-C-N 124.523 1.14 . . . . 0.0 110.06 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 4.4 tm0? -52.79 -33.06 47.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.435 1.085 . . . . 0.0 110.308 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -53.52 -52.18 60.45 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.53 1.144 . . . . 0.0 109.316 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 2.9 m80 -58.3 -37.13 74.45 Favored 'General case' 0 C--N 1.327 -0.4 0 O-C-N 124.533 1.146 . . . . 0.0 109.563 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' TRP . . . . . 0.897 ' CZ3' ' CE1' ' A' ' 86' ' ' TYR . 36.7 t-105 -59.64 -44.75 93.38 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.587 1.179 . . . . 0.0 108.089 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -70.02 -31.34 68.94 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.513 1.133 . . . . 0.0 109.322 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' SER . . . . . 0.774 ' HB3' HH21 ' A' ' 84' ' ' ARG . 48.4 t -78.18 9.28 3.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.427 1.079 . . . . 0.0 110.004 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . 0.512 ' HB3' ' O ' ' A' ' 82' ' ' SER . 0.2 OUTLIER 68.4 147.18 0.05 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.476 1.11 . . . . 0.0 109.237 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . 0.774 HH21 ' HB3' ' A' ' 82' ' ' SER . 0.1 OUTLIER 178.34 175.8 0.53 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.447 1.092 . . . . 0.0 110.267 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' THR . . . . . 0.524 ' HB ' ' CB ' ' A' ' 47' ' ' ASP . 0.9 OUTLIER -136.92 102.26 4.82 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.529 1.143 . . . . 0.0 110.451 179.938 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . 0.897 ' CE1' ' CZ3' ' A' ' 80' ' ' TRP . 0.0 OUTLIER -108.31 123.89 49.5 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.482 1.114 . . . . 0.0 110.993 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' THR . . . . . 1.449 ' HA ' ' CB ' ' A' ' 100' ' ' SER . 50.6 m -144.5 131.82 20.76 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.434 1.084 . . . . 0.0 110.413 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' CYS . . . . . 1.009 ' HB3' ' CZ3' ' A' ' 44' ' ' TRP . 13.5 p -89.5 100.22 13.06 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 0.0 108.386 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . 0.516 ' HB2' ' CG ' ' A' ' 98' ' ' GLU . 34.6 tt0 -91.47 109.07 20.35 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.594 1.184 . . . . 0.0 110.358 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.601 HG13 ' CE1' ' A' ' 92' ' ' TYR . 2.8 t -100.87 124.86 54.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.53 1.144 . . . . 0.0 109.364 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' THR . . . . . 0.962 ' O ' ' HB ' ' A' ' 40' ' ' ILE . 5.7 m -105.37 165.69 10.95 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.493 1.121 . . . . 0.0 110.415 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . 0.724 ' CD2' HG21 ' A' ' 40' ' ' ILE . 3.1 m-85 -140.55 156.59 46.26 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.47 1.106 . . . . 0.0 110.881 -179.896 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 1.1 pt20 -50.48 -20.98 1.29 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.643 1.214 . . . . 0.0 110.332 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -157.23 34.54 0.55 Allowed Glycine 0 CA--C 1.532 1.105 0 O-C-N 124.45 1.094 . . . . 0.0 110.923 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' HIS . . . . . 0.514 ' CA ' ' HB2' ' A' ' 92' ' ' TYR . 4.5 t60 -162.0 178.25 9.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.554 0.797 . . . . 0.0 109.576 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 5.3 t -160.12 166.2 30.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.565 1.166 . . . . 0.0 110.401 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . 0.416 ' HD2' ' CE1' ' A' ' 92' ' ' TYR . 4.3 m-85 -165.56 160.53 17.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 110.933 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . 0.516 ' CG ' ' HB2' ' A' ' 89' ' ' GLN . 1.1 tt0 -158.78 119.77 3.34 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.37 1.044 . . . . 0.0 110.303 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . 0.49 ' O ' ' SG ' ' A' ' 88' ' ' CYS . 7.0 m-20 -151.52 127.5 10.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.105 . . . . 0.0 109.271 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' SER . . . . . 1.449 ' CB ' ' HA ' ' A' ' 87' ' ' THR . 2.0 t -171.23 -150.77 0.07 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.561 1.163 . . . . 0.0 109.99 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' THR . . . . . 0.513 HG23 ' CE1' ' A' ' 86' ' ' TYR . 10.0 t -136.28 175.52 9.53 Favored 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.37 1.044 . . . . 0.0 110.446 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 0.0 109.332 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.491 ' O ' ' HA ' ' A' ' 32' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 110.442 -0.207 . . . . 0.0 110.442 . . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.74 ' CG2' HG22 ' A' ' 32' ' ' VAL . 6.5 p -134.82 133.43 54.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.558 1.161 . . . . 0.0 109.276 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.613 ' CB ' ' HG ' ' A' ' 31' ' ' LEU . 0.3 OUTLIER -140.28 152.58 46.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.443 1.09 . . . . 0.0 109.34 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.572 ' CG1' ' HA ' ' A' ' 100' ' ' SER . 0.4 OUTLIER -127.91 109.94 20.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.481 1.113 . . . . 0.0 109.368 179.917 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.606 ' C ' ' CD2' ' A' ' 12' ' ' LEU . 0.0 OUTLIER -111.15 145.48 38.56 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.417 1.073 . . . . 0.0 109.252 -179.969 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . 0.556 ' HB3' ' CD2' ' A' ' 28' ' ' LEU . 0.0 OUTLIER -104.21 143.64 32.67 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.403 1.065 . . . . 0.0 110.384 179.941 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 0.417 ' HB3' ' CB ' ' A' ' 27' ' ' GLN . 0.1 OUTLIER -132.39 74.02 1.56 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 110.07 -179.97 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 96.2 p . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.439 1.087 . . . . 0.0 110.127 179.958 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.425 ' HB ' ' O ' ' A' ' 75' ' ' LEU . 4.6 p . . . . . 0 N--CA 1.452 -0.341 0 N-CA-C 110.422 -0.214 . . . . 0.0 110.422 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.706 ' CD1' ' CZ3' ' A' ' 80' ' ' TRP . 0.7 OUTLIER -133.58 130.53 56.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.472 1.107 . . . . 0.0 109.248 -179.98 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.54 ' C ' HD13 ' A' ' 29' ' ' LEU . 2.9 mt-30 -114.05 84.08 1.98 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.548 1.155 . . . . 0.0 110.321 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.618 ' HB2' ' HB3' ' A' ' 73' ' ' LEU . 4.2 mt -96.46 105.28 17.34 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.545 1.153 . . . . 0.0 109.212 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.665 ' HA ' ' HA ' ' A' ' 72' ' ' GLU . 0.0 OUTLIER -105.76 124.45 49.58 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.448 1.092 . . . . 0.0 109.326 179.937 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.486 ' CB ' ' HB2' ' A' ' 71' ' ' SER . 0.5 OUTLIER -94.85 116.66 29.0 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.57 1.169 . . . . 0.0 108.291 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.613 ' HG ' ' CB ' ' A' ' 10' ' ' LYS . 3.2 pp -89.64 109.9 20.82 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 109.294 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.747 ' O ' HG12 ' A' ' 32' ' ' VAL . 2.4 p -136.75 108.64 6.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.416 1.072 . . . . 0.0 109.325 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.848 ' CB ' ' HA ' ' A' ' 68' ' ' SER . 12.9 p -147.72 -177.6 5.81 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.521 1.138 . . . . 0.0 109.989 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.631 ' HA2' ' HB3' ' A' ' 66' ' ' LEU . . . 80.81 -47.66 3.57 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.581 1.175 . . . . 0.0 111.06 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.75 ' O ' ' O ' ' A' ' 36' ' ' THR . 11.0 p90 -64.32 154.75 34.38 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.388 0.699 . . . . 0.0 111.009 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.75 ' O ' ' O ' ' A' ' 35' ' ' TYR . 3.8 m 46.98 139.35 0.0 OUTLIER Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.139 . . . . 0.0 110.405 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.428 ' HD3' ' HA ' ' A' ' 36' ' ' THR . 18.1 Cg_endo -74.99 -15.42 20.78 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.516 1.798 . . . . 0.0 110.949 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . 0.638 ' O ' ' CB ' ' A' ' 39' ' ' THR . . . -124.47 3.79 8.79 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.507 1.129 . . . . 0.0 110.973 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.656 ' N ' ' CB ' ' A' ' 67' ' ' ALA . 0.6 OUTLIER 92.23 -167.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.567 0.804 . . . . 0.0 110.404 -179.969 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.916 ' HB ' ' O ' ' A' ' 91' ' ' THR . 0.8 OUTLIER -130.67 -141.47 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 109.182 -179.851 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . 0.42 ' HB3' ' HB ' ' A' ' 91' ' ' THR . 46.4 t30 -116.22 162.98 16.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 0.0 109.225 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.564 ' CG2' ' CB ' ' A' ' 58' ' ' ALA . 1.1 mm -115.34 133.12 62.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.546 1.154 . . . . 0.0 109.341 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.586 ' C ' ' CD1' ' A' ' 44' ' ' TRP . 1.9 m -154.81 158.26 39.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 110.353 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . 1.113 ' CZ3' ' HB3' ' A' ' 88' ' ' CYS . 20.1 m95 -149.05 130.46 14.75 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.61 1.194 . . . . 0.0 107.949 -179.87 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.424 ' CB ' ' OE1' ' A' ' 98' ' ' GLU . 0.2 OUTLIER -100.51 110.44 22.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.279 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -100.15 101.25 12.25 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.55 1.156 . . . . 0.0 110.254 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.471 ' O ' ' HA ' ' A' ' 84' ' ' ARG . 9.8 t0 . . . . . 0 C--N 1.327 -0.408 0 O-C-N 124.401 1.063 . . . . 0.0 109.365 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.583 ' CB ' ' HB2' ' A' ' 75' ' ' LEU . 4.1 m-20 . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.637 ' CD2' ' N ' ' A' ' 56' ' ' SER . 0.0 OUTLIER -141.96 160.33 40.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.433 1.083 . . . . 0.0 109.249 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.901 ' HB2' ' CE2' ' A' ' 44' ' ' TRP . 0.2 OUTLIER -129.99 132.96 46.48 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.476 1.11 . . . . 0.0 109.92 -179.965 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -130.79 157.83 41.8 Favored 'General case' 0 C--N 1.327 -0.397 0 O-C-N 124.518 1.136 . . . . 0.0 110.358 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.746 ' CB ' ' HA ' ' A' ' 71' ' ' SER . . . -134.14 150.5 51.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.42 1.075 . . . . 0.0 109.268 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' SER . . . . . 0.57 ' O ' ' HA ' ' A' ' 69' ' ' THR . 0.5 OUTLIER -108.65 151.83 25.62 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.451 1.094 . . . . 0.0 110.022 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' THR . . . . . 0.471 ' HA ' ' OG1' ' A' ' 69' ' ' THR . 1.3 t -105.2 142.38 35.06 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.439 1.087 . . . . 0.0 110.474 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' THR . . . . . 0.722 ' OG1' ' O ' ' A' ' 68' ' ' SER . 0.6 OUTLIER -142.75 158.12 43.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.55 1.156 . . . . 0.0 110.341 -179.903 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 5.4 tt0 -95.25 130.41 42.01 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.498 1.124 . . . . 0.0 110.312 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -129.27 63.39 1.5 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.471 1.107 . . . . 0.0 110.269 -179.914 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 73.69 -107.2 2.18 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.459 1.1 . . . . 0.0 111.006 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -100.21 0.01 39.57 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.437 0.728 . . . . 0.0 110.311 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.631 ' HB3' ' HA2' ' A' ' 34' ' ' GLY . 5.7 mp -114.27 -179.38 3.62 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.489 1.118 . . . . 0.0 109.324 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.705 ' CB ' ' O ' ' A' ' 36' ' ' THR . . . -133.98 121.65 21.94 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.131 . . . . 0.0 109.333 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' SER . . . . . 0.848 ' HA ' ' CB ' ' A' ' 33' ' ' SER . 23.0 t -104.2 119.81 39.76 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.549 1.156 . . . . 0.0 109.995 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' THR . . . . . 0.71 ' HB ' ' OH ' ' A' ' 35' ' ' TYR . 0.8 OUTLIER -122.76 114.67 20.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.602 1.189 . . . . 0.0 110.383 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . 0.536 ' O ' ' HA ' ' A' ' 58' ' ' ALA . 29.8 pt20 -91.66 127.72 37.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.451 1.095 . . . . 0.0 110.358 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' SER . . . . . 0.746 ' HA ' ' CB ' ' A' ' 58' ' ' ALA . 0.8 OUTLIER -111.05 143.07 42.34 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.541 1.151 . . . . 0.0 110.003 179.979 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.665 ' HA ' ' HA ' ' A' ' 29' ' ' LEU . 0.9 OUTLIER -134.11 152.93 52.06 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.487 1.117 . . . . 0.0 110.306 -179.956 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.661 ' CB ' ' HB3' ' A' ' 56' ' ' SER . 6.3 tt -134.44 139.03 45.24 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.564 1.165 . . . . 0.0 109.248 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' THR . . . . . 0.459 ' O ' ' HB3' ' A' ' 54' ' ' ASP . 0.0 OUTLIER -134.32 114.93 13.5 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.446 1.091 . . . . 0.0 110.386 179.94 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.583 ' HB2' ' CB ' ' A' ' 54' ' ' ASP . 0.1 OUTLIER -142.31 136.77 30.05 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.392 1.058 . . . . 0.0 109.333 -179.971 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' SER . . . . . 0.518 ' O ' ' CD1' ' A' ' 75' ' ' LEU . 0.4 OUTLIER -71.72 164.33 26.14 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 110.047 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . 0.417 ' O ' ' HB3' ' A' ' 80' ' ' TRP . 0.0 OUTLIER -69.85 -39.56 76.33 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.398 1.061 . . . . 0.0 110.303 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 24.6 tttt -51.99 -54.45 29.72 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.486 1.116 . . . . 0.0 109.301 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . 0.481 ' CE1' ' HB2' ' A' ' 76' ' ' SER . 7.7 m170 -59.81 -34.73 73.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 109.579 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' TRP . . . . . 0.902 ' CZ3' ' CE1' ' A' ' 86' ' ' TYR . 41.7 t-105 -62.44 -43.85 97.82 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.532 1.145 . . . . 0.0 107.978 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 1.2 tp -67.7 -22.0 65.29 Favored 'General case' 0 C--N 1.323 -0.568 0 O-C-N 124.515 1.134 . . . . 0.0 109.312 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' SER . . . . . 0.847 ' HB3' HH21 ' A' ' 84' ' ' ARG . 0.3 OUTLIER -74.35 -9.68 58.83 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.482 1.114 . . . . 0.0 109.88 -179.934 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . 0.663 ' O ' ' CB ' ' A' ' 84' ' ' ARG . 0.3 OUTLIER 87.22 -158.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.583 1.177 . . . . 0.0 109.191 179.961 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . 0.847 HH21 ' HB3' ' A' ' 82' ' ' SER . 5.8 ptp180 100.63 168.74 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.488 1.117 . . . . 0.0 110.241 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' THR . . . . . 0.513 ' CG2' ' HB3' ' A' ' 102' ' ' LYS . 45.9 m -121.74 112.61 18.61 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.438 1.086 . . . . 0.0 110.4 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . 0.902 ' CE1' ' CZ3' ' A' ' 80' ' ' TRP . 0.0 OUTLIER -101.88 92.97 5.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.593 1.183 . . . . 0.0 111.015 -179.968 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' THR . . . . . 1.248 ' HA ' ' CB ' ' A' ' 100' ' ' SER . 0.2 OUTLIER -113.29 139.61 48.69 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 110.449 179.955 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' CYS . . . . . 1.113 ' HB3' ' CZ3' ' A' ' 44' ' ' TRP . 28.1 p -90.17 104.16 16.76 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.496 1.123 . . . . 0.0 108.283 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . 0.507 ' H ' ' HA ' ' A' ' 44' ' ' TRP . 3.8 tt0 -93.22 106.25 18.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.56 1.163 . . . . 0.0 110.36 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.571 HG12 ' CE1' ' A' ' 92' ' ' TYR . 3.4 t -96.4 133.05 39.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.521 1.138 . . . . 0.0 109.342 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' THR . . . . . 0.916 ' O ' ' HB ' ' A' ' 40' ' ' ILE . 0.8 OUTLIER -103.7 163.64 12.19 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.482 1.114 . . . . 0.0 110.396 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . 0.787 ' CE1' HD13 ' A' ' 40' ' ' ILE . 27.1 m-85 -140.22 158.61 43.77 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.13 . . . . 0.0 111.038 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . 0.531 ' CG ' HG23 ' A' ' 36' ' ' THR . 1.0 OUTLIER -46.56 -27.39 1.11 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.373 1.046 . . . . 0.0 110.261 -179.962 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -157.11 36.19 0.56 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.408 1.068 . . . . 0.0 111.066 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' HIS . . . . . 0.46 ' C ' ' HB2' ' A' ' 92' ' ' TYR . 5.8 t60 -158.99 171.34 20.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.559 0.799 . . . . 0.0 109.505 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 8.4 t -161.48 161.18 29.97 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.563 1.165 . . . . 0.0 110.419 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . 0.68 ' CE1' HG22 ' A' ' 9' ' ' VAL . 0.0 OUTLIER -169.72 163.48 9.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 0.0 110.982 -179.944 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . 0.455 ' HG2' ' CG2' ' A' ' 87' ' ' THR . 32.2 tt0 -155.58 126.52 7.02 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.446 1.091 . . . . 0.0 110.223 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . 0.612 ' O ' ' SG ' ' A' ' 88' ' ' CYS . 1.0 OUTLIER -156.48 134.04 10.85 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.651 1.22 . . . . 0.0 109.268 179.986 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' SER . . . . . 1.248 ' CB ' ' HA ' ' A' ' 87' ' ' THR . 3.3 t -171.54 -136.69 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.514 1.134 . . . . 0.0 109.974 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' THR . . . . . 0.579 HG21 ' CE1' ' A' ' 86' ' ' TYR . 8.7 t -133.78 178.5 6.89 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 110.374 -179.915 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . 0.603 ' HA ' ' CE1' ' A' ' 86' ' ' TYR . 0.0 OUTLIER . . . . . 0 C--N 1.323 -0.555 0 O-C-N 124.558 1.162 . . . . 0.0 109.261 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.479 ' O ' ' HA ' ' A' ' 32' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.451 -0.385 0 N-CA-C 110.411 -0.218 . . . . 0.0 110.411 . . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.612 HG13 ' CD1' ' A' ' 97' ' ' PHE . 2.2 p -131.64 143.96 38.84 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 O-C-N 124.47 1.106 . . . . 0.0 109.33 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.595 ' N ' ' O ' ' A' ' 31' ' ' LEU . 5.8 mttt -134.85 156.07 49.55 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.487 1.117 . . . . 0.0 109.272 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.612 HG13 ' HA ' ' A' ' 100' ' ' SER . 0.0 OUTLIER -128.44 113.71 30.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.507 1.13 . . . . 0.0 109.241 -179.9 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.562 ' HG ' ' CD1' ' A' ' 31' ' ' LEU . 95.3 mt -117.8 134.45 54.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.451 1.095 . . . . 0.0 109.299 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -105.32 143.7 33.13 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.425 1.078 . . . . 0.0 110.331 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 0.404 ' HB2' ' O ' ' A' ' 27' ' ' GLN . 0.1 OUTLIER -132.14 75.58 1.65 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.4 1.062 . . . . 0.0 110.041 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 91.2 p . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 110.031 179.981 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.438 ' HB ' ' O ' ' A' ' 75' ' ' LEU . 37.4 p . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 110.395 -0.224 . . . . 0.0 110.395 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.674 ' CD1' ' CZ3' ' A' ' 80' ' ' TRP . 0.1 OUTLIER -132.24 129.16 59.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.451 1.094 . . . . 0.0 109.357 -179.97 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.534 ' HA ' ' O ' ' A' ' 73' ' ' LEU . 1.1 mt-30 -113.81 88.2 2.79 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.417 1.073 . . . . 0.0 110.287 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.564 ' HB2' ' HB3' ' A' ' 73' ' ' LEU . 4.8 mt -94.34 100.36 12.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.399 1.062 . . . . 0.0 109.229 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.705 ' HA ' ' HA ' ' A' ' 72' ' ' GLU . 10.6 mp -98.91 120.74 39.86 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.524 1.14 . . . . 0.0 109.272 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.589 ' HB2' ' CZ2' ' A' ' 44' ' ' TRP . 0.0 OUTLIER -93.78 137.01 33.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 108.345 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.595 ' O ' ' N ' ' A' ' 10' ' ' LYS . 1.2 mp -109.79 108.14 18.37 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.571 1.169 . . . . 0.0 109.299 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.758 HG13 ' O ' ' A' ' 32' ' ' VAL . 3.6 p -132.28 117.75 33.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.353 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.877 ' CB ' ' HA ' ' A' ' 68' ' ' SER . 20.3 p -152.61 -177.03 5.98 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.562 1.164 . . . . 0.0 110.046 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.524 ' HA2' ' HB3' ' A' ' 66' ' ' LEU . . . 81.42 -47.37 3.6 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.41 1.069 . . . . 0.0 110.987 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.791 ' O ' ' O ' ' A' ' 36' ' ' THR . 5.3 p90 -62.76 158.1 19.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.461 0.742 . . . . 0.0 110.931 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.791 ' O ' ' O ' ' A' ' 35' ' ' TYR . 4.0 m 45.32 142.71 0.0 OUTLIER Pre-proline 0 C--N 1.326 -0.421 0 O-C-N 124.49 1.119 . . . . 0.0 110.38 -179.912 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.471 ' C ' ' HB2' ' A' ' 67' ' ' ALA . 18.4 Cg_endo -75.09 -12.03 21.33 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.453 1.765 . . . . 0.0 111.035 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . 0.533 ' O ' ' CB ' ' A' ' 39' ' ' THR . . . -124.03 -53.82 0.19 Allowed Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.502 1.126 . . . . 0.0 111.017 179.891 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.572 ' CG2' ' N ' ' A' ' 40' ' ' ILE . 0.9 OUTLIER 164.34 173.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.453 0.737 . . . . 0.0 110.457 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.928 ' HB ' ' O ' ' A' ' 91' ' ' THR . 1.7 pt -121.55 -141.95 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.464 1.103 . . . . 0.0 109.282 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . 0.539 ' CB ' ' CG2' ' A' ' 91' ' ' THR . 8.6 t-20 -112.83 154.96 25.46 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.102 . . . . 0.0 109.3 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.555 HG21 ' N ' ' A' ' 58' ' ' ALA . 3.4 mt -126.02 116.9 47.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.552 1.158 . . . . 0.0 109.261 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.533 ' C ' ' CD1' ' A' ' 44' ' ' TRP . 1.7 m -149.25 157.75 43.61 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.512 1.133 . . . . 0.0 110.429 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . 0.984 ' CZ3' ' HB3' ' A' ' 88' ' ' CYS . 7.8 m95 -139.76 129.96 25.21 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.538 1.149 . . . . 0.0 108.009 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -95.6 118.0 31.49 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.39 1.056 . . . . 0.0 109.29 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.404 ' OE2' ' HG2' ' A' ' 84' ' ' ARG . 4.6 tm-20 -99.08 146.34 26.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 110.331 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.478 ' CB ' ' HB ' ' A' ' 85' ' ' THR . 0.1 OUTLIER . . . . . 0 C--N 1.326 -0.441 0 O-C-N 124.426 1.079 . . . . 0.0 109.264 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.504 ' CB ' ' HB2' ' A' ' 75' ' ' LEU . 47.8 t0 . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.637 ' CD2' ' N ' ' A' ' 56' ' ' SER . 0.0 OUTLIER -134.2 152.58 51.9 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.449 1.093 . . . . 0.0 109.277 -179.942 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.931 ' HB2' ' CE2' ' A' ' 44' ' ' TRP . 0.0 OUTLIER -129.53 135.68 48.9 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.11 . . . . 0.0 109.947 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' THR . . . . . 0.416 ' O ' ' N ' ' A' ' 72' ' ' GLU . 0.2 OUTLIER -129.02 153.25 47.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.603 1.189 . . . . 0.0 110.428 179.929 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.767 ' CB ' ' HA ' ' A' ' 71' ' ' SER . . . -133.45 155.04 50.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 109.259 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' SER . . . . . 0.534 ' O ' ' HA ' ' A' ' 69' ' ' THR . 8.6 t -109.51 170.45 8.05 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 110.016 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 2.4 t -104.09 146.97 27.96 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.555 1.159 . . . . 0.0 110.378 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' THR . . . . . 0.469 ' OG1' ' C ' ' A' ' 68' ' ' SER . 0.6 OUTLIER -137.4 158.95 43.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 110.403 -179.932 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 11.6 mt-30 -116.32 131.99 56.79 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.596 1.185 . . . . 0.0 110.315 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -137.04 63.99 1.55 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.424 1.078 . . . . 0.0 110.305 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 72.24 -108.47 2.5 Favored Glycine 0 CA--C 1.528 0.867 0 O-C-N 124.608 1.193 . . . . 0.0 111.008 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -94.83 -2.07 51.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.363 0.684 . . . . 0.0 110.317 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.524 ' HB3' ' HA2' ' A' ' 34' ' ' GLY . 2.4 mp -108.26 169.04 8.88 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.42 1.075 . . . . 0.0 109.322 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.711 ' CB ' ' O ' ' A' ' 36' ' ' THR . . . -134.76 121.21 20.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 109.33 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' SER . . . . . 0.877 ' HA ' ' CB ' ' A' ' 33' ' ' SER . 11.7 t -96.43 179.9 4.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.619 1.199 . . . . 0.0 110.078 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' THR . . . . . 0.697 ' HB ' ' OH ' ' A' ' 35' ' ' TYR . 1.0 OUTLIER -170.9 122.48 0.59 Allowed 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.407 1.067 . . . . 0.0 110.311 179.894 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . 0.719 ' O ' ' HA ' ' A' ' 58' ' ' ALA . 46.7 mt-30 -97.92 117.26 31.85 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 110.329 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' SER . . . . . 0.767 ' HA ' ' CB ' ' A' ' 58' ' ' ALA . 0.7 OUTLIER -106.54 146.33 30.76 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.434 1.084 . . . . 0.0 109.938 -179.957 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.705 ' HA ' ' HA ' ' A' ' 29' ' ' LEU . 0.2 OUTLIER -138.62 151.33 47.15 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.495 1.122 . . . . 0.0 110.333 179.926 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.644 ' HA ' ' HB3' ' A' ' 56' ' ' SER . 8.9 tt -131.14 140.82 50.03 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.391 1.057 . . . . 0.0 109.265 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -140.48 117.72 11.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.439 1.087 . . . . 0.0 110.43 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.623 ' CD2' ' CE2' ' A' ' 86' ' ' TYR . 0.2 OUTLIER -149.91 146.66 27.2 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.511 1.132 . . . . 0.0 109.233 -179.965 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' SER . . . . . 0.497 ' O ' ' CD1' ' A' ' 75' ' ' LEU . 0.2 OUTLIER -63.76 138.39 58.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 110.075 179.942 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 2.0 mm-40 -67.01 -33.83 76.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.115 . . . . 0.0 110.328 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.18 -53.12 47.17 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 0.0 109.317 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . 0.53 ' ND1' ' CZ ' ' A' ' 84' ' ' ARG . 0.5 OUTLIER -60.4 -38.16 83.1 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.609 179.955 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' TRP . . . . . 0.857 ' CE3' ' CZ ' ' A' ' 86' ' ' TYR . 5.2 t-105 -59.16 -40.29 85.1 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.051 -1.092 . . . . 0.0 108.051 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -68.92 -31.76 70.89 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.444 1.09 . . . . 0.0 109.317 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' SER . . . . . 0.677 ' O ' ' HB2' ' A' ' 83' ' ' ASP . 47.4 m -77.22 5.46 8.41 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.49 1.119 . . . . 0.0 110.042 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . 0.677 ' HB2' ' O ' ' A' ' 82' ' ' SER . 26.0 m-20 84.07 148.17 0.07 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.125 . . . . 0.0 109.346 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . 0.53 ' CZ ' ' ND1' ' A' ' 79' ' ' HIS . 0.0 OUTLIER 179.66 170.67 1.07 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.613 1.196 . . . . 0.0 110.289 -179.906 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' THR . . . . . 0.478 ' HB ' ' CB ' ' A' ' 47' ' ' ASP . 1.7 m -138.27 103.12 4.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.593 1.183 . . . . 0.0 110.299 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . 0.857 ' CZ ' ' CE3' ' A' ' 80' ' ' TRP . 0.0 OUTLIER -107.78 138.09 44.63 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.473 1.108 . . . . 0.0 111.126 179.89 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' THR . . . . . 1.273 ' HA ' ' CB ' ' A' ' 100' ' ' SER . 0.2 OUTLIER -149.44 124.43 10.0 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.13 . . . . 0.0 110.373 -179.927 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' CYS . . . . . 0.984 ' HB3' ' CZ3' ' A' ' 44' ' ' TRP . 8.9 p -84.79 97.01 9.46 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.457 1.098 . . . . 0.0 108.398 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . 0.529 ' CA ' ' HG3' ' A' ' 98' ' ' GLU . 1.6 tt0 -88.69 101.16 13.71 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.454 1.096 . . . . 0.0 110.329 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.63 HG11 ' CE1' ' A' ' 92' ' ' TYR . 3.3 t -93.79 126.7 46.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.424 1.077 . . . . 0.0 109.275 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' THR . . . . . 0.928 ' O ' ' HB ' ' A' ' 40' ' ' ILE . 0.4 OUTLIER -99.14 171.61 7.9 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 110.405 179.935 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . 0.81 ' CD2' HG22 ' A' ' 40' ' ' ILE . 7.8 m-85 -146.95 157.07 43.53 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.548 1.155 . . . . 0.0 110.908 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -46.3 -25.71 0.68 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.486 1.117 . . . . 0.0 110.285 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -157.83 36.24 0.54 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.482 1.114 . . . . 0.0 111.031 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' HIS . . . . . 0.506 ' CA ' ' HB2' ' A' ' 92' ' ' TYR . 2.6 t-80 -161.34 171.33 18.48 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.45 0.736 . . . . 0.0 109.532 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 5.8 t -161.42 161.56 30.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.558 1.161 . . . . 0.0 110.397 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . 0.612 ' CD1' HG13 ' A' ' 9' ' ' VAL . 22.9 t80 -171.73 166.37 6.56 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.622 1.202 . . . . 0.0 110.97 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . 0.577 ' N ' ' CD1' ' A' ' 97' ' ' PHE . 14.2 tt0 -149.32 133.47 17.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.42 1.075 . . . . 0.0 110.362 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . 0.637 ' O ' ' SG ' ' A' ' 88' ' ' CYS . 0.0 OUTLIER -151.79 123.05 7.72 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.575 1.172 . . . . 0.0 109.222 -179.971 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' SER . . . . . 1.273 ' CB ' ' HA ' ' A' ' 87' ' ' THR . 26.9 t -168.6 -147.88 0.07 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 110.017 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' THR . . . . . 0.578 ' O ' ' O ' ' A' ' 86' ' ' TYR . 4.6 t -134.11 177.34 7.82 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.432 1.082 . . . . 0.0 110.385 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . 0.406 ' N ' ' OG1' ' A' ' 101' ' ' THR . 16.3 pttt . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.432 1.083 . . . . 0.0 109.28 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.608 ' O ' HG22 ' A' ' 32' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.255 0 N-CA-C 110.345 -0.243 . . . . 0.0 110.345 . . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.595 HG13 ' CD1' ' A' ' 97' ' ' PHE . 3.1 p -125.5 145.79 32.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 109.354 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.582 ' N ' ' O ' ' A' ' 31' ' ' LEU . 30.6 mmtt -136.35 155.1 50.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.12 . . . . 0.0 109.246 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.566 HD12 ' N ' ' A' ' 12' ' ' LEU . 0.0 OUTLIER -130.31 109.73 17.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 109.325 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.566 ' N ' HD12 ' A' ' 11' ' ' ILE . 30.9 mt -117.41 137.43 52.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.143 . . . . 0.0 109.294 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . 0.5 ' CB ' HD22 ' A' ' 28' ' ' LEU . 0.0 OUTLIER -107.68 150.26 27.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.561 1.163 . . . . 0.0 110.332 -179.912 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 0.487 ' HB2' ' O ' ' A' ' 27' ' ' GLN . 2.2 m -132.46 72.74 1.5 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.421 1.076 . . . . 0.0 109.975 -179.915 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.427 ' OG ' ' O ' ' A' ' 15' ' ' SER . 7.0 t . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.563 1.165 . . . . 0.0 110.018 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 24.8 p . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 110.386 -0.227 . . . . 0.0 110.386 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.671 ' CD1' ' CZ3' ' A' ' 80' ' ' TRP . 0.3 OUTLIER -135.4 136.97 50.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 O-C-N 124.495 1.122 . . . . 0.0 109.294 179.954 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.497 ' HA ' ' O ' ' A' ' 73' ' ' LEU . 0.6 OUTLIER -114.32 96.19 5.66 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.489 1.118 . . . . 0.0 110.236 -179.973 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.627 ' O ' ' CB ' ' A' ' 73' ' ' LEU . 3.5 mt -101.08 103.31 14.4 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.52 1.138 . . . . 0.0 109.297 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.788 ' HA ' ' HA ' ' A' ' 72' ' ' GLU . 0.4 OUTLIER -110.11 128.91 55.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.403 1.064 . . . . 0.0 109.341 179.966 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.479 ' SG ' ' O ' ' A' ' 10' ' ' LYS . 0.1 OUTLIER -93.66 135.52 34.87 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.469 1.105 . . . . 0.0 108.315 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.582 ' O ' ' N ' ' A' ' 10' ' ' LYS . 3.4 mp -103.12 100.95 10.89 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.572 1.17 . . . . 0.0 109.268 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.808 ' CG2' ' CE2' ' A' ' 35' ' ' TYR . 3.8 p -131.42 122.1 49.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 O-C-N 124.52 1.137 . . . . 0.0 109.268 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.877 ' CB ' ' HA ' ' A' ' 68' ' ' SER . 21.7 p -154.98 -176.0 5.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.12 . . . . 0.0 109.929 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.533 ' O ' ' HB3' ' A' ' 66' ' ' LEU . . . 78.81 -47.24 3.04 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.456 1.098 . . . . 0.0 110.987 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.871 ' OH ' ' HB ' ' A' ' 69' ' ' THR . 12.1 p90 -60.86 143.01 55.68 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 0.769 . . . . 0.0 110.871 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.739 ' O ' ' CB ' ' A' ' 67' ' ' ALA . 9.4 m 48.87 138.63 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.612 1.195 . . . . 0.0 110.411 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.463 ' C ' ' HB3' ' A' ' 67' ' ' ALA . 18.2 Cg_endo -75.13 -8.07 19.61 Favored 'Trans proline' 0 C--N 1.361 1.226 0 O-C-N 124.55 1.816 . . . . 0.0 111.01 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . 0.64 ' O ' ' CB ' ' A' ' 39' ' ' THR . . . -124.77 4.8 8.54 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.394 1.059 . . . . 0.0 111.027 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.64 ' CB ' ' O ' ' A' ' 38' ' ' GLY . 0.6 OUTLIER 92.82 -164.59 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.581 0.812 . . . . 0.0 110.3 -179.959 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 1.036 ' HB ' ' O ' ' A' ' 91' ' ' THR . 2.3 pt -133.83 -141.21 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 O-C-N 124.476 1.11 . . . . 0.0 109.179 -179.898 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 24.8 t-20 -113.85 159.63 19.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.543 1.152 . . . . 0.0 109.383 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.538 ' CG2' ' CB ' ' A' ' 58' ' ' ALA . 1.4 mm -117.0 127.86 74.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 O-C-N 124.531 1.144 . . . . 0.0 109.287 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.569 ' C ' ' CD1' ' A' ' 44' ' ' TRP . 2.0 m -154.42 158.68 40.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 110.397 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . 1.066 ' CZ3' ' HB3' ' A' ' 88' ' ' CYS . 18.3 m95 -146.79 130.55 17.03 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.139 . . . . 0.0 108.025 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -94.83 110.8 22.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.436 1.085 . . . . 0.0 109.279 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -98.97 148.76 23.66 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.465 1.103 . . . . 0.0 110.338 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.509 ' CB ' ' HB ' ' A' ' 85' ' ' THR . 0.4 OUTLIER . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.451 1.094 . . . . 0.0 109.308 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.653 ' CD2' ' N ' ' A' ' 56' ' ' SER . 0.0 OUTLIER -136.17 161.62 35.23 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 0.0 109.259 179.973 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 1.014 ' HB2' ' CE2' ' A' ' 44' ' ' TRP . 0.0 OUTLIER -130.01 134.04 47.15 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.442 1.089 . . . . 0.0 110.005 -179.975 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' THR . . . . . 0.443 ' O ' ' N ' ' A' ' 72' ' ' GLU . 0.3 OUTLIER -132.2 156.12 47.03 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.549 1.156 . . . . 0.0 110.5 179.942 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.723 ' CB ' ' HA ' ' A' ' 71' ' ' SER . . . -130.22 151.59 50.57 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.59 1.182 . . . . 0.0 109.403 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' SER . . . . . 0.515 ' N ' ' O ' ' A' ' 70' ' ' GLN . 0.2 OUTLIER -106.34 162.61 13.53 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.533 1.145 . . . . 0.0 109.967 -179.964 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' THR . . . . . 0.559 HG23 ' CB ' ' A' ' 39' ' ' THR . 2.3 m -107.13 141.69 38.0 Favored 'General case' 0 C--N 1.323 -0.573 0 O-C-N 124.571 1.17 . . . . 0.0 110.354 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' THR . . . . . 0.663 ' OG1' ' O ' ' A' ' 68' ' ' SER . 0.0 OUTLIER -145.0 156.42 43.94 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.482 1.113 . . . . 0.0 110.423 179.95 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 2.9 tt0 -99.08 129.32 45.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.122 . . . . 0.0 110.293 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.449 ' O ' ' CD1' ' A' ' 66' ' ' LEU . 0.1 OUTLIER -127.03 64.07 1.31 Allowed 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.469 1.106 . . . . 0.0 110.323 179.957 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 73.69 -107.07 2.14 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.419 1.075 . . . . 0.0 111.018 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -101.14 0.19 37.26 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.432 0.725 . . . . 0.0 110.303 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.533 ' HB3' ' O ' ' A' ' 34' ' ' GLY . 0.0 OUTLIER -112.95 178.77 4.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 109.295 179.982 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.739 ' CB ' ' O ' ' A' ' 36' ' ' THR . . . -128.72 120.22 26.06 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.507 1.129 . . . . 0.0 109.301 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' SER . . . . . 0.877 ' HA ' ' CB ' ' A' ' 33' ' ' SER . 43.7 t -106.23 121.08 43.47 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.374 1.046 . . . . 0.0 110.005 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' THR . . . . . 0.871 ' HB ' ' OH ' ' A' ' 35' ' ' TYR . 0.7 OUTLIER -122.34 121.98 37.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.567 1.167 . . . . 0.0 110.379 -179.95 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . 0.602 ' O ' ' HA ' ' A' ' 58' ' ' ALA . 0.1 OUTLIER -95.87 125.66 40.58 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.448 1.092 . . . . 0.0 110.3 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' SER . . . . . 0.723 ' HA ' ' CB ' ' A' ' 58' ' ' ALA . 0.7 OUTLIER -108.29 144.59 35.58 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.477 1.111 . . . . 0.0 109.945 -179.95 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.788 ' HA ' ' HA ' ' A' ' 29' ' ' LEU . 44.2 tt0 -133.58 160.83 36.31 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.475 1.11 . . . . 0.0 110.324 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.627 ' CB ' ' O ' ' A' ' 28' ' ' LEU . 18.2 tp -139.04 146.24 40.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.45 1.094 . . . . 0.0 109.357 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -139.87 118.42 12.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.449 1.093 . . . . 0.0 110.425 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.709 ' N ' ' CD1' ' A' ' 75' ' ' LEU . 0.0 OUTLIER -140.58 162.49 35.24 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 109.364 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -89.12 137.92 31.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.11 . . . . 0.0 110.076 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 21.1 tp60 -56.35 -36.39 68.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.313 1.008 . . . . 0.0 110.236 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.56 -46.94 73.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.117 . . . . 0.0 109.347 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . 0.454 ' ND1' ' NH2' ' A' ' 84' ' ' ARG . 0.0 OUTLIER -60.75 -39.81 90.12 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.516 1.135 . . . . 0.0 109.537 -179.969 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' TRP . . . . . 0.869 ' CZ3' ' CZ ' ' A' ' 86' ' ' TYR . 19.4 t-105 -62.63 -34.4 76.96 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.31 -39.74 85.93 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.354 1.034 . . . . 0.0 109.389 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' SER . . . . . 0.524 ' O ' ' HB2' ' A' ' 83' ' ' ASP . 0.2 OUTLIER -77.31 6.9 5.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.431 1.082 . . . . 0.0 109.993 179.943 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . 0.524 ' HB2' ' O ' ' A' ' 82' ' ' SER . 49.3 m-20 65.73 152.83 0.06 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.404 1.065 . . . . 0.0 109.233 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . 0.517 ' HG3' ' CE2' ' A' ' 86' ' ' TYR . 0.5 OUTLIER -179.64 -172.25 0.21 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.524 1.14 . . . . 0.0 110.146 -179.947 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' THR . . . . . 0.509 ' HB ' ' CB ' ' A' ' 47' ' ' ASP . 1.0 OUTLIER -136.06 113.64 10.92 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.437 1.086 . . . . 0.0 110.501 179.939 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . 0.869 ' CZ ' ' CZ3' ' A' ' 80' ' ' TRP . 0.0 OUTLIER -119.95 123.67 44.09 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.51 1.131 . . . . 0.0 111.052 179.986 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' THR . . . . . 1.386 ' HA ' ' CB ' ' A' ' 100' ' ' SER . 1.4 m -142.4 136.83 29.95 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.513 1.133 . . . . 0.0 110.413 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' CYS . . . . . 1.066 ' HB3' ' CZ3' ' A' ' 44' ' ' TRP . 1.4 p -96.38 101.4 13.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 108.279 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . 0.452 ' N ' ' O ' ' A' ' 43' ' ' THR . 55.3 tt0 -93.68 106.38 18.35 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.437 1.085 . . . . 0.0 110.258 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.616 HG13 ' CE1' ' A' ' 92' ' ' TYR . 0.4 OUTLIER -98.25 121.73 49.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 O-C-N 124.438 1.086 . . . . 0.0 109.294 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' THR . . . . . 1.036 ' O ' ' HB ' ' A' ' 40' ' ' ILE . 0.8 OUTLIER -98.24 166.29 11.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.587 1.18 . . . . 0.0 110.385 179.999 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . 0.798 ' HA ' ' HB ' ' A' ' 40' ' ' ILE . 3.8 m-85 -135.79 153.64 51.46 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.437 1.086 . . . . 0.0 111.078 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 3.3 pp0? -52.16 -20.46 2.58 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.478 1.111 . . . . 0.0 110.303 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -152.77 33.81 0.81 Allowed Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.469 1.106 . . . . 0.0 110.947 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' HIS . . . . . 0.535 ' CA ' ' HB2' ' A' ' 92' ' ' TYR . 6.4 t60 -166.97 175.13 7.84 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.457 0.739 . . . . 0.0 109.626 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 14.8 t -161.25 151.33 17.35 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.128 . . . . 0.0 110.443 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . 0.595 ' CD1' HG13 ' A' ' 9' ' ' VAL . 2.8 t80 -163.84 162.53 23.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.541 1.151 . . . . 0.0 110.986 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . 0.422 ' HG2' ' CG2' ' A' ' 87' ' ' THR . 32.3 tt0 -154.69 136.84 14.76 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.55 1.156 . . . . 0.0 110.356 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . 0.682 ' O ' ' SG ' ' A' ' 88' ' ' CYS . 22.8 m-20 -155.87 131.16 9.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.446 1.091 . . . . 0.0 109.27 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' SER . . . . . 1.386 ' CB ' ' HA ' ' A' ' 87' ' ' THR . 0.6 OUTLIER -172.38 -150.02 0.05 Allowed 'General case' 0 C--N 1.327 -0.39 0 O-C-N 124.426 1.079 . . . . 0.0 109.982 -179.964 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' THR . . . . . 0.49 HG21 ' CE1' ' A' ' 86' ' ' TYR . 5.2 t -133.69 172.99 12.0 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.117 . . . . 0.0 110.417 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.564 1.165 . . . . 0.0 109.229 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.586 ' O ' ' HA ' ' A' ' 32' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 110.351 -0.24 . . . . 0.0 110.351 . . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.551 HG11 ' CE1' ' A' ' 97' ' ' PHE . 1.0 OUTLIER -131.07 146.5 33.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.565 1.165 . . . . 0.0 109.36 179.907 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.605 ' N ' ' O ' ' A' ' 31' ' ' LEU . 18.9 mmtt -134.41 154.13 51.54 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 109.27 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.467 HG12 ' HA ' ' A' ' 100' ' ' SER . 5.3 tp -116.35 119.18 61.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.422 1.077 . . . . 0.0 109.35 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.475 ' O ' ' HA ' ' A' ' 28' ' ' LEU . 36.4 mt -120.99 136.7 54.92 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.538 1.149 . . . . 0.0 109.278 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . 0.46 ' NE2' HG13 ' A' ' 11' ' ' ILE . 0.0 OUTLIER -108.72 143.2 38.16 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.462 1.101 . . . . 0.0 110.356 179.933 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 0.447 ' HB3' ' CB ' ' A' ' 27' ' ' GLN . 13.5 t -136.21 79.23 1.76 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.51 1.131 . . . . 0.0 109.911 -179.92 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 15.2 t . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.444 1.09 . . . . 0.0 110.055 179.877 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.48 ' OG1' ' N ' ' A' ' 26' ' ' ILE . 3.1 t . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 110.369 -0.234 . . . . 0.0 110.369 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.708 ' CD1' ' CZ3' ' A' ' 80' ' ' TRP . 0.2 OUTLIER -140.5 137.29 36.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.523 1.139 . . . . 0.0 109.347 179.925 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.729 ' HA ' ' O ' ' A' ' 73' ' ' LEU . 4.0 mt-30 -124.27 99.95 6.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.415 1.072 . . . . 0.0 110.344 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.637 ' HB2' ' HB3' ' A' ' 73' ' ' LEU . 1.8 mt -97.75 96.69 8.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.584 1.178 . . . . 0.0 109.28 -179.92 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.585 ' HA ' ' HA ' ' A' ' 72' ' ' GLU . 9.9 mp -89.36 120.31 30.59 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.578 1.174 . . . . 0.0 109.272 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.502 ' HB2' ' CH2' ' A' ' 44' ' ' TRP . 0.5 OUTLIER -91.23 132.01 36.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.125 . . . . 0.0 108.356 179.964 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.605 ' O ' ' N ' ' A' ' 10' ' ' LYS . 2.5 mp -104.14 102.42 12.16 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.587 1.18 . . . . 0.0 109.278 -179.917 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.721 ' O ' HG11 ' A' ' 32' ' ' VAL . 3.2 p -130.01 121.83 52.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.538 1.149 . . . . 0.0 109.301 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.879 ' CB ' ' HA ' ' A' ' 68' ' ' SER . 10.9 p -157.97 -176.82 6.14 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.493 1.121 . . . . 0.0 110.03 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.59 ' HA2' ' HB3' ' A' ' 66' ' ' LEU . . . 79.0 -44.5 2.61 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.41 1.069 . . . . 0.0 110.952 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.758 ' CD1' HG21 ' A' ' 40' ' ' ILE . 5.2 p90 -64.56 153.72 38.31 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.434 0.726 . . . . 0.0 110.874 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.72 ' O ' ' O ' ' A' ' 35' ' ' TYR . 3.0 m 48.8 142.19 0.01 OUTLIER Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.466 1.104 . . . . 0.0 110.378 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.54 ' C ' ' HB3' ' A' ' 67' ' ' ALA . 18.4 Cg_endo -74.99 -11.02 21.47 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.444 1.76 . . . . 0.0 110.975 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . 0.537 ' O ' ' CB ' ' A' ' 39' ' ' THR . . . -125.2 -54.12 0.17 Allowed Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.568 1.167 . . . . 0.0 110.967 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.577 ' CG2' ' N ' ' A' ' 40' ' ' ILE . 0.9 OUTLIER 164.11 174.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 0.762 . . . . 0.0 110.468 -179.946 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.97 ' HB ' ' O ' ' A' ' 91' ' ' THR . 1.4 pt -120.35 -138.65 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.412 1.07 . . . . 0.0 109.272 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . 0.502 ' HB3' ' CG2' ' A' ' 91' ' ' THR . 11.5 t-20 -120.42 160.04 23.89 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.496 1.122 . . . . 0.0 109.295 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.506 ' CG2' ' HB2' ' A' ' 58' ' ' ALA . 0.3 OUTLIER -117.62 129.67 73.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.622 1.202 . . . . 0.0 109.337 179.914 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.569 ' C ' ' CD1' ' A' ' 44' ' ' TRP . 1.9 m -155.16 154.26 32.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.553 1.158 . . . . 0.0 110.316 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . 1.008 ' CZ3' ' HB3' ' A' ' 88' ' ' CYS . 12.7 m95 -144.27 129.69 18.92 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 107.948 -1.13 . . . . 0.0 107.948 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -97.34 113.11 24.7 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.563 1.165 . . . . 0.0 109.394 179.901 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.433 ' HG2' ' N ' ' A' ' 47' ' ' ASP . 23.1 tt0 -101.71 142.11 33.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 110.293 -179.917 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.532 ' CB ' ' HB ' ' A' ' 85' ' ' THR . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.557 1.161 . . . . 0.0 109.3 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.514 ' HB2' ' HB2' ' A' ' 75' ' ' LEU . 7.3 t70 . . . . . 0 N--CA 1.452 -0.343 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.635 ' CD2' ' N ' ' A' ' 56' ' ' SER . 0.0 OUTLIER -133.72 148.02 51.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 109.244 179.965 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.818 ' HB3' ' CD2' ' A' ' 44' ' ' TRP . 31.2 t -131.11 150.86 51.96 Favored 'General case' 0 N--CA 1.451 -0.397 0 O-C-N 124.343 1.027 . . . . 0.0 110.027 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' THR . . . . . 0.436 ' O ' ' N ' ' A' ' 72' ' ' GLU . 0.1 OUTLIER -138.81 152.87 48.24 Favored 'General case' 0 C--N 1.327 -0.383 0 O-C-N 124.539 1.149 . . . . 0.0 110.332 179.971 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.767 ' HA ' ' O ' ' A' ' 70' ' ' GLN . . . -133.02 152.66 51.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.571 1.169 . . . . 0.0 109.258 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' SER . . . . . 0.513 ' O ' ' HA ' ' A' ' 69' ' ' THR . 3.4 m -109.47 174.3 5.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.433 1.083 . . . . 0.0 109.956 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' THR . . . . . 0.416 ' HB ' HG22 ' A' ' 39' ' ' THR . 1.9 t -105.55 146.95 28.93 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.554 1.159 . . . . 0.0 110.341 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' THR . . . . . 0.483 ' OG1' ' C ' ' A' ' 68' ' ' SER . 0.8 OUTLIER -138.82 163.63 31.72 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.485 1.115 . . . . 0.0 110.336 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -108.98 126.32 52.98 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.555 1.16 . . . . 0.0 110.296 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -127.07 61.54 1.35 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.445 1.091 . . . . 0.0 110.308 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 70.74 -104.8 1.46 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.522 1.139 . . . . 0.0 111.02 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 34.3 tp10 -96.67 -1.65 46.23 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.467 0.746 . . . . 0.0 110.34 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.59 ' HB3' ' HA2' ' A' ' 34' ' ' GLY . 45.7 mt -112.45 -179.23 3.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.113 . . . . 0.0 109.325 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.69 ' CB ' ' O ' ' A' ' 36' ' ' THR . . . -135.4 122.08 20.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.573 1.171 . . . . 0.0 109.216 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' SER . . . . . 0.879 ' HA ' ' CB ' ' A' ' 33' ' ' SER . 10.1 t -92.99 179.04 5.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.434 1.084 . . . . 0.0 110.064 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' THR . . . . . 0.646 ' CB ' ' OH ' ' A' ' 35' ' ' TYR . 1.0 OUTLIER -169.9 132.25 1.11 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.109 . . . . 0.0 110.357 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . 0.767 ' O ' ' HA ' ' A' ' 58' ' ' ALA . 1.7 tp60 -112.63 121.31 44.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.579 1.174 . . . . 0.0 110.271 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' SER . . . . . 0.713 ' HA ' ' HA ' ' A' ' 58' ' ' ALA . 0.7 OUTLIER -110.69 146.13 36.78 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.505 1.128 . . . . 0.0 110.009 179.964 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.585 ' HA ' ' HA ' ' A' ' 29' ' ' LEU . 0.0 OUTLIER -135.93 133.35 37.53 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.608 1.193 . . . . 0.0 110.34 -179.966 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.729 ' O ' ' HA ' ' A' ' 27' ' ' GLN . 0.7 OUTLIER -109.71 144.48 38.03 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.414 1.071 . . . . 0.0 109.304 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' THR . . . . . 0.665 ' N ' HD12 ' A' ' 73' ' ' LEU . 1.0 OUTLIER -143.66 123.82 13.71 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 110.407 179.959 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.528 ' CD2' HG21 ' A' ' 26' ' ' ILE . 0.2 OUTLIER -156.08 163.19 39.96 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.454 1.096 . . . . 0.0 109.387 179.956 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' SER . . . . . 0.467 ' N ' HD11 ' A' ' 75' ' ' LEU . 1.1 t -77.41 134.35 38.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.112 . . . . 0.0 110.067 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 7.1 tp60 -61.83 -33.07 73.49 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.537 1.148 . . . . 0.0 110.323 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 18.9 tttt -53.14 -53.78 45.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.125 . . . . 0.0 109.349 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . 0.483 ' HD1' ' NH2' ' A' ' 84' ' ' ARG . 14.3 m-70 -53.35 -41.42 65.78 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.547 1.154 . . . . 0.0 109.633 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' TRP . . . . . 0.806 ' CE3' ' CZ ' ' A' ' 86' ' ' TYR . 7.5 t-105 -59.38 -38.19 79.84 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.56 1.163 . . . . 0.0 107.974 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -57.35 -40.72 78.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.445 1.091 . . . . 0.0 109.3 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' SER . . . . . 0.494 ' O ' ' HB3' ' A' ' 83' ' ' ASP . 0.7 OUTLIER -77.41 6.74 6.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.443 1.089 . . . . 0.0 110.029 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . 0.494 ' HB3' ' O ' ' A' ' 82' ' ' SER . 0.0 OUTLIER 68.42 148.67 0.06 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.46 1.1 . . . . 0.0 109.278 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . 0.483 ' NH2' ' HD1' ' A' ' 79' ' ' HIS . 0.0 OUTLIER -168.63 -175.8 2.57 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.589 1.181 . . . . 0.0 110.28 179.881 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' THR . . . . . 0.532 ' HB ' ' CB ' ' A' ' 47' ' ' ASP . 1.0 OUTLIER -131.65 99.65 4.86 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.512 1.132 . . . . 0.0 110.337 -179.899 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . 0.806 ' CZ ' ' CE3' ' A' ' 80' ' ' TRP . 0.0 OUTLIER -109.49 121.46 45.25 Favored 'General case' 0 C--N 1.327 -0.402 0 O-C-N 124.504 1.128 . . . . 0.0 110.985 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' THR . . . . . 1.393 ' HA ' ' CB ' ' A' ' 100' ' ' SER . 0.6 OUTLIER -139.42 132.29 29.25 Favored 'General case' 0 C--N 1.323 -0.567 0 O-C-N 124.502 1.127 . . . . 0.0 110.402 179.963 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' CYS . . . . . 1.008 ' HB3' ' CZ3' ' A' ' 44' ' ' TRP . 30.1 p -89.63 96.19 10.59 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.551 1.157 . . . . 0.0 108.31 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . 0.485 ' N ' ' O ' ' A' ' 43' ' ' THR . 2.1 tt0 -88.47 102.16 14.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.485 1.116 . . . . 0.0 110.363 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.647 HG12 ' CZ ' ' A' ' 92' ' ' TYR . 31.2 t -93.86 132.35 38.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.418 1.074 . . . . 0.0 109.302 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' THR . . . . . 0.97 ' O ' ' HB ' ' A' ' 40' ' ' ILE . 0.3 OUTLIER -101.53 163.55 12.21 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.487 1.117 . . . . 0.0 110.331 -179.935 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . 0.777 ' CD2' HG22 ' A' ' 40' ' ' ILE . 3.6 m-85 -144.7 146.83 32.41 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.608 1.193 . . . . 0.0 110.932 -179.916 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -64.68 -6.36 7.68 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.506 1.129 . . . . 0.0 110.325 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -114.56 -20.9 5.65 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.415 1.072 . . . . 0.0 111.075 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' HIS . . . . . 0.477 ' O ' ' HB2' ' A' ' 92' ' ' TYR . 5.8 t60 -175.15 -158.1 0.07 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.424 0.72 . . . . 0.0 109.553 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 13.4 t -150.14 164.77 34.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 110.369 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . 0.551 ' CE1' HG11 ' A' ' 9' ' ' VAL . 46.5 t80 -168.14 164.99 13.44 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.498 1.124 . . . . 0.0 110.964 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . 0.542 ' N ' ' CD1' ' A' ' 97' ' ' PHE . 28.2 tt0 -156.35 146.47 21.31 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.553 1.158 . . . . 0.0 110.371 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . 0.561 ' O ' ' SG ' ' A' ' 88' ' ' CYS . 5.8 m-20 -160.01 129.93 5.37 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.618 1.199 . . . . 0.0 109.296 -179.904 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' SER . . . . . 1.393 ' CB ' ' HA ' ' A' ' 87' ' ' THR . 2.4 t -170.65 -149.21 0.06 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.477 1.111 . . . . 0.0 110.021 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' THR . . . . . 0.547 HG22 ' CE1' ' A' ' 86' ' ' TYR . 5.0 t -133.25 -177.87 4.72 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.531 1.145 . . . . 0.0 110.385 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . 0.434 ' N ' ' OG1' ' A' ' 101' ' ' THR . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.566 1.167 . . . . 0.0 109.269 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.494 ' O ' ' HA ' ' A' ' 32' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 110.405 -0.22 . . . . 0.0 110.405 . . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.703 ' CG2' HG21 ' A' ' 32' ' ' VAL . 2.4 p -132.35 140.6 47.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.537 1.148 . . . . 0.0 109.448 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.507 ' N ' ' O ' ' A' ' 31' ' ' LEU . 5.1 mmtt -138.45 156.68 47.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.294 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.54 ' CD1' ' SG ' ' A' ' 30' ' ' CYS . 0.4 OUTLIER -129.19 111.43 22.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.632 1.207 . . . . 0.0 109.275 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.498 ' CD1' ' CD2' ' A' ' 31' ' ' LEU . 83.1 mt -112.35 132.2 55.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.447 1.092 . . . . 0.0 109.261 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . 0.497 ' HB3' ' CD2' ' A' ' 28' ' ' LEU . 0.0 OUTLIER -105.31 142.36 35.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.568 1.168 . . . . 0.0 110.301 179.964 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 0.495 ' HB3' ' CB ' ' A' ' 27' ' ' GLN . 0.3 OUTLIER -132.03 71.36 1.47 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.114 . . . . 0.0 110.014 -179.964 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 3.2 t . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.448 1.092 . . . . 0.0 109.912 -179.89 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.479 ' CG2' ' HA ' ' A' ' 76' ' ' SER . 2.2 p . . . . . 0 N--CA 1.452 -0.335 0 CA-C-O 120.527 0.203 . . . . 0.0 110.473 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.728 ' CD1' ' CZ3' ' A' ' 80' ' ' TRP . 1.2 tt -134.25 137.75 51.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.445 1.091 . . . . 0.0 109.304 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.503 ' HA ' ' O ' ' A' ' 73' ' ' LEU . 9.0 mt-30 -120.73 86.8 2.64 Favored 'General case' 0 C--N 1.323 -0.578 0 O-C-N 124.554 1.159 . . . . 0.0 110.332 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.549 ' O ' ' CB ' ' A' ' 73' ' ' LEU . 0.3 OUTLIER -101.86 108.68 20.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.101 . . . . 0.0 109.325 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.734 ' HA ' ' HA ' ' A' ' 72' ' ' GLU . 0.5 OUTLIER -114.13 126.75 55.43 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 0.0 109.363 179.97 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.6 ' SG ' ' CH2' ' A' ' 44' ' ' TRP . 13.2 m -92.55 152.16 19.77 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.534 1.146 . . . . 0.0 108.419 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.507 ' O ' ' N ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -116.08 102.35 9.55 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.445 1.091 . . . . 0.0 109.325 -179.97 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.734 ' CG2' ' HE2' ' A' ' 35' ' ' TYR . 2.0 p -129.49 116.62 39.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 109.273 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.842 ' CB ' ' HA ' ' A' ' 68' ' ' SER . 6.8 p -155.79 -179.45 8.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.553 1.158 . . . . 0.0 109.921 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.499 ' HA2' ' HB3' ' A' ' 66' ' ' LEU . . . 80.91 -45.51 3.18 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.536 1.147 . . . . 0.0 110.928 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.774 ' OH ' ' HB ' ' A' ' 69' ' ' THR . 2.6 p90 -61.85 152.13 32.52 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 0.779 . . . . 0.0 111.008 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.702 ' O ' ' O ' ' A' ' 35' ' ' TYR . 1.9 m 48.98 140.39 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.585 1.178 . . . . 0.0 110.3 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.435 ' C ' ' HB2' ' A' ' 67' ' ' ALA . 18.3 Cg_endo -75.01 -14.07 21.22 Favored 'Trans proline' 0 C--N 1.362 1.24 0 O-C-N 124.396 1.735 . . . . 0.0 110.977 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . 0.659 ' O ' ' CB ' ' A' ' 39' ' ' THR . . . -127.16 6.88 7.21 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.503 1.127 . . . . 0.0 111.053 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.659 ' CB ' ' O ' ' A' ' 38' ' ' GLY . 0.7 OUTLIER 94.32 -169.95 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.499 0.764 . . . . 0.0 110.39 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.931 ' HB ' ' O ' ' A' ' 91' ' ' THR . 0.8 OUTLIER -131.51 -139.88 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 O-C-N 124.548 1.155 . . . . 0.0 109.311 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . 0.438 ' CB ' ' HB ' ' A' ' 91' ' ' THR . 0.3 OUTLIER -116.81 156.67 26.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.55 1.156 . . . . 0.0 109.216 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.561 ' CG2' ' CB ' ' A' ' 58' ' ' ALA . 4.2 mt -119.41 125.9 74.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.463 1.102 . . . . 0.0 109.354 179.854 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.567 ' C ' ' CD1' ' A' ' 44' ' ' TRP . 4.3 m -149.13 162.51 39.82 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.552 1.157 . . . . 0.0 110.426 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . 1.013 ' CZ3' ' HB3' ' A' ' 88' ' ' CYS . 20.3 m95 -147.81 131.25 16.67 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.548 1.155 . . . . 0.0 107.983 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.413 ' N ' ' O ' ' A' ' 87' ' ' THR . 13.4 tp -99.5 107.93 20.24 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.526 1.141 . . . . 0.0 109.379 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.514 ' CD ' ' CZ ' ' A' ' 84' ' ' ARG . 0.1 OUTLIER -98.99 151.87 20.44 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 110.306 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.506 ' HB2' ' CG2' ' A' ' 85' ' ' THR . 0.4 OUTLIER . . . . . 0 C--N 1.327 -0.408 0 O-C-N 124.535 1.147 . . . . 0.0 109.283 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.478 ' CB ' ' HB2' ' A' ' 75' ' ' LEU . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.292 -0.632 . . . . 0.0 109.292 . . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.631 ' CD2' ' N ' ' A' ' 56' ' ' SER . 0.0 OUTLIER -138.64 161.07 38.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.217 -179.958 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.804 ' HB2' ' CE2' ' A' ' 44' ' ' TRP . 0.7 OUTLIER -127.29 131.86 50.41 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.413 1.071 . . . . 0.0 109.97 -179.979 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -131.41 159.9 36.66 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.496 1.123 . . . . 0.0 110.404 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.745 ' CB ' ' HA ' ' A' ' 71' ' ' SER . . . -132.51 154.77 49.61 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.392 1.057 . . . . 0.0 109.295 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' SER . . . . . 0.507 ' N ' ' O ' ' A' ' 70' ' ' GLN . 2.2 t -107.14 169.55 8.49 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.471 1.107 . . . . 0.0 109.975 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' THR . . . . . 0.489 HG22 ' CG2' ' A' ' 39' ' ' THR . 2.8 m -107.76 146.48 32.11 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.515 1.134 . . . . 0.0 110.479 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' THR . . . . . 0.535 ' OG1' ' CB ' ' A' ' 68' ' ' SER . 0.6 OUTLIER -137.32 157.75 45.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 110.399 -179.954 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 13.1 pt20 -118.17 134.27 55.16 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 110.288 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 -139.6 63.45 1.49 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.452 1.095 . . . . 0.0 110.202 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 71.79 -106.68 1.97 Allowed Glycine 0 CA--C 1.528 0.862 0 O-C-N 124.576 1.173 . . . . 0.0 111.094 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 9.7 tt0 -96.07 -1.86 47.87 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.416 0.715 . . . . 0.0 110.337 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.499 ' HB3' ' HA2' ' A' ' 34' ' ' GLY . 2.9 mp -105.18 166.34 10.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.105 . . . . 0.0 109.331 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.693 ' CB ' ' O ' ' A' ' 36' ' ' THR . . . -133.43 119.09 19.18 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.515 1.134 . . . . 0.0 109.243 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' SER . . . . . 0.842 ' HA ' ' CB ' ' A' ' 33' ' ' SER . 10.3 t -96.37 175.11 6.55 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.418 1.074 . . . . 0.0 109.979 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' THR . . . . . 0.774 ' HB ' ' OH ' ' A' ' 35' ' ' TYR . 1.2 m -171.38 119.54 0.48 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.491 1.12 . . . . 0.0 110.361 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . 0.61 ' O ' ' HA ' ' A' ' 58' ' ' ALA . 4.9 tt0 -96.73 120.44 37.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.434 1.084 . . . . 0.0 110.291 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' SER . . . . . 0.745 ' HA ' ' CB ' ' A' ' 58' ' ' ALA . 0.3 OUTLIER -104.72 140.0 38.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.605 1.191 . . . . 0.0 109.956 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.734 ' HA ' ' HA ' ' A' ' 29' ' ' LEU . 19.1 tt0 -134.38 160.66 37.28 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 110.325 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.672 ' CB ' ' HB3' ' A' ' 56' ' ' SER . 10.5 tt -141.18 139.79 33.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.542 1.151 . . . . 0.0 109.342 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' THR . . . . . 0.424 ' O ' ' HA ' ' A' ' 54' ' ' ASP . 0.0 OUTLIER -139.37 114.52 9.61 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 110.34 -179.946 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.503 ' CD2' HG21 ' A' ' 26' ' ' ILE . 0.1 OUTLIER -141.83 159.17 42.78 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.405 1.066 . . . . 0.0 109.321 179.964 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' SER . . . . . 0.482 ' O ' ' CD1' ' A' ' 75' ' ' LEU . 67.4 m -84.69 138.71 32.5 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.12 . . . . 0.0 110.03 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 13.9 tm0? -57.28 -28.21 62.81 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.461 1.101 . . . . 0.0 110.303 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 14.5 tptp -53.12 -58.68 6.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.639 1.212 . . . . 0.0 109.29 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 32.5 m80 -55.82 -41.18 73.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.39 1.056 . . . . 0.0 109.653 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' TRP . . . . . 0.919 ' CZ3' ' CZ ' ' A' ' 86' ' ' TYR . 18.0 t-105 -57.28 -40.6 78.09 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.451 ' C ' ' H ' ' A' ' 83' ' ' ASP . 0.3 OUTLIER -70.15 -40.3 74.83 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.61 1.194 . . . . 0.0 109.291 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -79.78 23.01 0.45 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.904 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . 0.451 ' H ' ' C ' ' A' ' 81' ' ' LEU . 0.0 OUTLIER 63.22 148.07 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.557 1.161 . . . . 0.0 109.255 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . 0.514 ' CZ ' ' CD ' ' A' ' 46' ' ' GLU . 0.1 OUTLIER -177.33 174.9 1.54 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.457 1.098 . . . . 0.0 110.303 179.967 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' THR . . . . . 0.506 ' CG2' ' HB2' ' A' ' 47' ' ' ASP . 0.9 OUTLIER -135.12 118.89 17.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 110.432 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . 0.919 ' CZ ' ' CZ3' ' A' ' 80' ' ' TRP . 0.0 OUTLIER -121.1 122.43 40.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.422 1.076 . . . . 0.0 110.912 -179.91 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' THR . . . . . 1.403 ' HA ' ' CB ' ' A' ' 100' ' ' SER . 1.1 m -145.15 128.91 17.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.438 1.086 . . . . 0.0 110.384 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' CYS . . . . . 1.013 ' HB3' ' CZ3' ' A' ' 44' ' ' TRP . 13.7 p -94.86 101.4 13.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 108.277 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . 0.452 ' N ' ' O ' ' A' ' 43' ' ' THR . 49.5 tt0 -87.98 104.44 16.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 110.32 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.625 ' CG1' ' CE1' ' A' ' 92' ' ' TYR . 4.0 t -93.4 125.65 45.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.462 1.101 . . . . 0.0 109.293 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' THR . . . . . 0.931 ' O ' ' HB ' ' A' ' 40' ' ' ILE . 1.0 OUTLIER -96.03 165.4 12.27 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.58 1.175 . . . . 0.0 110.366 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . 0.773 ' CE1' HD13 ' A' ' 40' ' ' ILE . 25.0 m-85 -145.8 140.65 27.26 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.482 1.114 . . . . 0.0 110.946 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . 0.495 ' HG2' ' CG2' ' A' ' 36' ' ' THR . 3.4 pt20 -56.42 -11.58 1.31 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.425 1.078 . . . . 0.0 110.261 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . 0.406 ' N ' ' C ' ' A' ' 92' ' ' TYR . . . -109.37 -28.37 4.37 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.502 1.126 . . . . 0.0 111.105 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' HIS . . . . . 0.504 ' O ' ' N ' ' A' ' 92' ' ' TYR . 1.1 t-160 -167.83 -151.5 0.11 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 0.766 . . . . 0.0 109.625 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 6.0 t -155.06 161.54 41.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.549 1.155 . . . . 0.0 110.38 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . 0.591 ' CD2' HG13 ' A' ' 9' ' ' VAL . 73.1 t80 -155.99 168.5 27.06 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.579 1.175 . . . . 0.0 110.925 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . 0.486 ' HG2' ' CG2' ' A' ' 87' ' ' THR . 25.2 tt0 -144.81 142.98 30.4 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.513 1.133 . . . . 0.0 110.346 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . 0.561 ' O ' ' SG ' ' A' ' 88' ' ' CYS . 0.1 OUTLIER -155.99 119.89 4.45 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.548 1.155 . . . . 0.0 109.334 179.882 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' SER . . . . . 1.403 ' CB ' ' HA ' ' A' ' 87' ' ' THR . 0.8 OUTLIER -170.74 -151.36 0.08 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 0.0 110.011 -179.938 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' THR . . . . . 0.552 HG22 ' CE1' ' A' ' 86' ' ' TYR . 4.4 t -142.64 -179.7 6.47 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.48 1.113 . . . . 0.0 110.42 -179.892 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . 0.432 ' N ' ' OG1' ' A' ' 101' ' ' THR . 5.0 pttp . . . . . 0 C--N 1.324 -0.515 0 O-C-N 124.527 1.142 . . . . 0.0 109.299 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 109.987 -0.375 . . . . 0.0 109.987 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 1.7 ptt180 -167.15 79.13 0.2 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.149 . . . . 0.0 110.253 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -80.02 168.67 18.88 Favored 'General case' 0 N--CA 1.451 -0.401 0 O-C-N 124.499 1.124 . . . . 0.0 109.36 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 58.36 -176.84 0.08 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.641 1.213 . . . . 0.0 111.096 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.506 HG21 ' N ' ' A' ' 6' ' ' PRO . 0.5 OUTLIER -142.77 168.42 13.32 Favored Pre-proline 0 C--N 1.323 -0.547 0 O-C-N 124.592 1.183 . . . . 0.0 110.32 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.506 ' N ' HG21 ' A' ' 5' ' ' THR . 19.0 Cg_endo -74.82 118.27 5.23 Favored 'Trans proline' 0 C--N 1.359 1.093 0 O-C-N 124.538 1.809 . . . . 0.0 111.007 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.61 ' HA ' ' HB3' ' A' ' 35' ' ' TYR . 18.5 Cg_endo -75.04 151.91 39.9 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.424 1.75 . . . . 0.0 110.971 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.521 ' O ' ' HA ' ' A' ' 32' ' ' VAL . 0.0 OUTLIER -148.51 130.8 15.58 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.488 1.117 . . . . 0.0 110.343 -179.954 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.603 HG13 ' CD1' ' A' ' 97' ' ' PHE . 2.5 p -129.22 145.81 35.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.544 1.153 . . . . 0.0 109.341 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.545 ' HB2' ' CD1' ' A' ' 31' ' ' LEU . 0.0 OUTLIER -134.23 166.83 21.88 Favored 'General case' 0 C--N 1.323 -0.565 0 O-C-N 124.568 1.168 . . . . 0.0 109.323 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.509 HG12 ' O ' ' A' ' 99' ' ' ASP . 0.0 OUTLIER -130.12 120.59 49.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 109.39 -179.928 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.489 ' HB2' ' O ' ' A' ' 29' ' ' LEU . 22.3 mt -123.16 129.31 51.25 Favored 'General case' 0 C--N 1.323 -0.583 0 O-C-N 124.584 1.178 . . . . 0.0 109.3 -179.899 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.496 ' HB3' ' CD2' ' A' ' 28' ' ' LEU . 0.0 OUTLIER -106.94 140.52 39.62 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.554 1.159 . . . . 0.0 110.299 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.459 ' HB3' ' CB ' ' A' ' 27' ' ' GLN . 0.1 OUTLIER -134.23 75.43 1.59 Allowed 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.41 1.069 . . . . 0.0 110.073 179.919 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 23.5 p -112.01 -40.92 4.1 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.543 1.152 . . . . 0.0 109.935 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -86.22 50.74 2.04 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.496 1.123 . . . . 0.0 110.0 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -140.51 13.02 2.34 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.581 1.175 . . . . 0.0 109.21 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -80.98 -175.33 49.8 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.399 1.062 . . . . 0.0 111.071 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -157.7 170.0 34.62 Favored Glycine 0 CA--C 1.53 1.01 0 N-CA-C 111.032 -0.827 . . . . 0.0 111.032 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -44.35 155.56 0.28 Allowed Glycine 0 CA--C 1.528 0.905 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . 0.442 ' O ' ' O ' ' A' ' 22' ' ' PHE . 26.3 m170 64.53 178.99 0.18 Allowed 'General case' 0 C--N 1.327 -0.398 0 O-C-N 124.411 0.712 . . . . 0.0 109.607 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.442 ' O ' ' O ' ' A' ' 21' ' ' HIS . 5.3 m-85 57.68 148.58 0.06 OUTLIER Pre-proline 0 C--N 1.324 -0.526 0 O-C-N 124.51 1.131 . . . . 0.0 110.934 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 145.54 31.31 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.595 1.84 . . . . 0.0 110.972 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.542 ' HB2' ' CB ' ' A' ' 77' ' ' GLN . 18.2 Cg_endo -75.05 141.8 26.92 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.553 1.817 . . . . 0.0 111.027 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.418 ' HA ' ' N ' ' A' ' 77' ' ' GLN . 53.0 p -145.04 -167.45 2.68 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.516 1.135 . . . . 0.0 110.431 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.695 ' CD1' ' CZ3' ' A' ' 80' ' ' TRP . 0.1 OUTLIER -134.0 131.75 55.96 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 O-C-N 124.674 1.234 . . . . 0.0 109.357 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.58 ' HA ' ' O ' ' A' ' 73' ' ' LEU . 0.7 OUTLIER -117.86 81.58 1.69 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.621 1.2 . . . . 0.0 110.276 -179.931 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.551 ' O ' ' CB ' ' A' ' 73' ' ' LEU . 1.6 mt -96.39 103.42 15.32 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.58 1.175 . . . . 0.0 109.272 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.733 ' HA ' ' HA ' ' A' ' 72' ' ' GLU . 2.0 pp -111.73 125.83 54.4 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.496 1.123 . . . . 0.0 109.323 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.52 ' HB2' ' HB2' ' A' ' 71' ' ' SER . 33.0 m -92.29 155.55 17.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.61 1.193 . . . . 0.0 108.192 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.545 ' CD1' ' HB2' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -115.98 103.87 11.02 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.567 1.167 . . . . 0.0 109.375 179.954 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.82 HG13 ' O ' ' A' ' 32' ' ' VAL . 1.6 p -127.55 116.87 45.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.599 1.187 . . . . 0.0 109.347 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.833 ' CB ' ' HA ' ' A' ' 68' ' ' SER . 56.4 p -151.86 -179.05 7.12 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.442 1.089 . . . . 0.0 110.112 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.509 ' HA2' ' CB ' ' A' ' 66' ' ' LEU . . . 83.3 -49.88 4.31 Favored Glycine 0 CA--C 1.532 1.125 0 O-C-N 124.505 1.128 . . . . 0.0 110.951 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.795 ' OH ' ' HB ' ' A' ' 69' ' ' THR . 4.7 p90 -62.24 153.05 31.71 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.563 0.802 . . . . 0.0 110.998 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.671 ' O ' ' O ' ' A' ' 35' ' ' TYR . 2.9 m 50.18 144.93 0.02 OUTLIER Pre-proline 0 C--N 1.324 -0.531 0 O-C-N 124.667 1.229 . . . . 0.0 110.446 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.441 ' HD2' ' CG2' ' A' ' 36' ' ' THR . 18.1 Cg_endo -75.02 -16.89 19.91 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.64 1.863 . . . . 0.0 111.004 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.604 ' O ' ' CB ' ' A' ' 39' ' ' THR . . . -121.22 -49.53 0.27 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.503 1.127 . . . . 0.0 110.994 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.604 ' CB ' ' O ' ' A' ' 38' ' ' GLY . 1.0 OUTLIER 159.2 171.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.456 0.739 . . . . 0.0 110.334 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.909 ' HB ' ' O ' ' A' ' 91' ' ' THR . 1.0 OUTLIER -111.75 -139.38 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.589 1.181 . . . . 0.0 109.272 -179.902 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . 0.483 ' HB2' ' CG2' ' A' ' 91' ' ' THR . 0.2 OUTLIER -111.15 155.22 23.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.623 1.202 . . . . 0.0 109.356 179.895 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.564 ' CG2' ' CB ' ' A' ' 58' ' ' ALA . 3.6 mm -122.17 121.57 64.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 109.306 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.481 ' C ' ' CD1' ' A' ' 44' ' ' TRP . 2.4 m -155.56 157.53 36.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.44 1.087 . . . . 0.0 110.509 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 1.039 ' CZ3' ' HB3' ' A' ' 88' ' ' CYS . 13.8 m95 -140.13 128.08 22.1 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 108.056 -1.091 . . . . 0.0 108.056 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -86.5 110.27 19.65 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.502 1.126 . . . . 0.0 109.277 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -99.38 140.32 33.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.441 1.088 . . . . 0.0 110.362 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.49 ' HB2' ' CG2' ' A' ' 85' ' ' THR . 0.3 OUTLIER -139.71 96.0 3.0 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.533 1.146 . . . . 0.0 109.318 179.972 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.494 ' O ' ' HB2' ' A' ' 49' ' ' GLN . . . 167.57 -56.15 0.23 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.6 1.188 . . . . 0.0 110.925 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.498 ' CB ' ' NH2' ' A' ' 84' ' ' ARG . 0.0 OUTLIER 167.61 86.52 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 0.758 . . . . 0.0 110.348 -179.878 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 4.3 p -85.23 43.68 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.438 1.086 . . . . 0.0 109.359 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' MET . . . . . 0.456 ' CG ' ' N ' ' A' ' 52' ' ' ASP . 4.6 ptt? -86.24 -38.38 17.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 110.924 -179.874 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.456 ' N ' ' CG ' ' A' ' 51' ' ' MET . 0.8 OUTLIER -64.11 -151.13 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.107 . . . . 0.0 109.431 179.944 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.64 ' CG1' ' O ' ' A' ' 53' ' ' VAL . 20.3 t -111.17 32.75 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.434 1.084 . . . . 0.0 109.346 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.458 ' CB ' ' HB2' ' A' ' 75' ' ' LEU . 1.2 p-10 -91.42 99.79 12.68 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.583 1.177 . . . . 0.0 109.23 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.648 ' CD2' ' N ' ' A' ' 56' ' ' SER . 0.0 OUTLIER -137.48 159.36 42.16 Favored 'General case' 0 C--N 1.327 -0.397 0 O-C-N 124.429 1.081 . . . . 0.0 109.258 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.876 ' HB2' ' CE2' ' A' ' 44' ' ' TRP . 0.0 OUTLIER -123.32 130.63 52.99 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.446 1.091 . . . . 0.0 110.056 -179.963 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' THR . . . . . 0.464 ' O ' ' N ' ' A' ' 72' ' ' GLU . 0.2 OUTLIER -130.64 157.69 42.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.115 . . . . 0.0 110.371 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.747 ' CB ' ' HA ' ' A' ' 71' ' ' SER . . . -128.9 153.15 47.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.396 1.06 . . . . 0.0 109.369 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' SER . . . . . 0.573 ' N ' ' O ' ' A' ' 70' ' ' GLN . 0.0 OUTLIER -105.11 164.62 11.68 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 0.0 109.923 -179.943 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' THR . . . . . 0.518 HG22 ' CB ' ' A' ' 39' ' ' THR . 2.4 m -107.63 141.48 39.05 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 110.382 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' THR . . . . . 0.836 ' OG1' ' O ' ' A' ' 68' ' ' SER . 0.0 OUTLIER -144.1 160.36 41.05 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.556 1.16 . . . . 0.0 110.465 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 15.0 pt20 -104.98 130.32 53.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.399 1.062 . . . . 0.0 110.148 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -126.91 60.59 1.36 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.567 1.167 . . . . 0.0 110.322 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 72.09 -105.77 1.77 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.379 1.05 . . . . 0.0 110.864 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.417 ' O ' ' HG2' ' A' ' 65' ' ' GLU . 2.3 tt0 -98.8 -1.1 41.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.439 0.729 . . . . 0.0 110.311 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.509 ' CB ' ' HA2' ' A' ' 34' ' ' GLY . 0.1 OUTLIER -111.86 179.41 4.02 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.579 1.175 . . . . 0.0 109.274 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.606 ' CB ' ' O ' ' A' ' 36' ' ' THR . . . -128.42 120.09 26.24 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.444 1.09 . . . . 0.0 109.412 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' SER . . . . . 0.836 ' O ' ' OG1' ' A' ' 61' ' ' THR . 23.1 t -104.13 120.34 40.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.639 1.212 . . . . 0.0 109.905 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' THR . . . . . 0.795 ' HB ' ' OH ' ' A' ' 35' ' ' TYR . 0.8 OUTLIER -123.01 118.51 27.94 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.399 1.062 . . . . 0.0 110.412 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . 0.573 ' O ' ' N ' ' A' ' 59' ' ' SER . 7.8 pt20 -91.71 126.22 36.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.377 1.048 . . . . 0.0 110.256 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.747 ' HA ' ' CB ' ' A' ' 58' ' ' ALA . 0.8 OUTLIER -106.86 140.91 38.94 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.437 1.086 . . . . 0.0 110.14 179.955 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.733 ' HA ' ' HA ' ' A' ' 29' ' ' LEU . 0.5 OUTLIER -134.02 155.24 50.34 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.1 . . . . 0.0 110.286 -179.963 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.646 ' CD1' ' CE3' ' A' ' 44' ' ' TRP . 9.1 tt -134.26 138.13 44.82 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.542 1.151 . . . . 0.0 109.377 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' THR . . . . . 0.406 ' HA ' ' O ' ' A' ' 26' ' ' ILE . 0.0 OUTLIER -137.05 116.13 12.45 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.381 1.051 . . . . 0.0 110.467 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.573 HD21 ' CE2' ' A' ' 86' ' ' TYR . 0.4 OUTLIER -142.84 145.29 33.03 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.559 1.162 . . . . 0.0 109.36 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' SER . . . . . 0.524 ' O ' ' CD1' ' A' ' 75' ' ' LEU . 5.1 t -66.53 136.47 55.7 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.448 1.092 . . . . 0.0 109.965 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . 0.542 ' CB ' ' HB2' ' A' ' 24' ' ' PRO . 8.6 tp60 -57.71 -32.5 67.44 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 110.37 179.882 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 9.5 tttp -52.86 -51.3 61.55 Favored 'General case' 0 C--N 1.323 -0.563 0 O-C-N 124.6 1.187 . . . . 0.0 109.274 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . 0.734 ' CD2' HH21 ' A' ' 84' ' ' ARG . 0.3 OUTLIER -58.69 -39.72 81.53 Favored 'General case' 0 N--CA 1.45 -0.435 0 O-C-N 124.577 1.173 . . . . 0.0 109.753 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' TRP . . . . . 0.857 ' CZ3' ' CE1' ' A' ' 86' ' ' TYR . 28.2 t-105 -60.86 -33.77 73.59 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 107.994 -1.113 . . . . 0.0 107.994 179.902 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 4.4 tt -65.6 -38.61 89.97 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.452 1.095 . . . . 0.0 109.295 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 3.2 m -78.09 6.11 8.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.654 1.221 . . . . 0.0 109.918 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . 0.573 ' HB2' ' HA ' ' A' ' 104' ' ' SER . 0.0 OUTLIER 66.88 151.46 0.07 Allowed 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.463 1.102 . . . . 0.0 109.438 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . 0.734 HH21 ' CD2' ' A' ' 79' ' ' HIS . 0.6 OUTLIER -173.11 -173.87 0.99 Allowed 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.613 1.196 . . . . 0.0 110.351 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' THR . . . . . 0.49 ' CG2' ' HB2' ' A' ' 47' ' ' ASP . 0.9 OUTLIER -138.65 103.46 4.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.39 1.056 . . . . 0.0 110.451 179.972 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . 0.857 ' CE1' ' CZ3' ' A' ' 80' ' ' TRP . 0.0 OUTLIER -107.97 135.49 49.26 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.508 1.13 . . . . 0.0 110.942 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' THR . . . . . 1.185 ' HA ' ' CB ' ' A' ' 100' ' ' SER . 0.2 OUTLIER -149.29 124.79 10.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.353 1.033 . . . . 0.0 110.417 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' CYS . . . . . 1.039 ' HB3' ' CZ3' ' A' ' 44' ' ' TRP . 9.9 p -83.51 97.56 9.08 Favored 'General case' 0 C--N 1.323 -0.583 0 O-C-N 124.475 1.109 . . . . 0.0 108.259 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . 0.51 ' CA ' ' HG3' ' A' ' 98' ' ' GLU . 19.6 tt0 -89.48 103.24 15.9 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.568 1.168 . . . . 0.0 110.305 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.603 HG13 ' CE1' ' A' ' 92' ' ' TYR . 4.1 t -94.76 125.7 47.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.614 1.196 . . . . 0.0 109.283 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' THR . . . . . 0.909 ' O ' ' HB ' ' A' ' 40' ' ' ILE . 0.9 OUTLIER -97.84 169.09 9.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.386 1.054 . . . . 0.0 110.421 179.954 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . 0.783 ' CD2' HG22 ' A' ' 40' ' ' ILE . 18.3 m-85 -145.9 159.16 43.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 0.0 111.088 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -45.8 -27.57 0.87 Allowed 'General case' 0 C--N 1.322 -0.613 0 O-C-N 124.511 1.132 . . . . 0.0 110.248 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -157.7 35.76 0.54 Allowed Glycine 0 CA--C 1.529 0.913 0 O-C-N 124.502 1.126 . . . . 0.0 110.975 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . 0.477 ' CA ' ' HB2' ' A' ' 92' ' ' TYR . 2.0 t-80 -159.55 173.46 16.12 Favored 'General case' 0 N--CA 1.45 -0.441 0 O-C-N 124.374 0.691 . . . . 0.0 109.605 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 6.1 t -160.58 166.12 29.56 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.64 1.212 . . . . 0.0 110.445 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . 0.603 ' CD1' HG13 ' A' ' 9' ' ' VAL . 2.3 t80 -169.1 167.94 10.26 Favored 'General case' 0 C--N 1.323 -0.564 0 O-C-N 124.471 1.107 . . . . 0.0 111.001 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . 0.544 ' HG2' ' CG2' ' A' ' 87' ' ' THR . 8.6 tt0 -156.59 129.07 7.59 Favored 'General case' 0 C--N 1.323 -0.558 0 O-C-N 124.463 1.102 . . . . 0.0 110.324 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . 0.624 ' O ' ' SG ' ' A' ' 88' ' ' CYS . 66.7 m-20 -154.51 126.74 7.83 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.15 . . . . 0.0 109.276 179.873 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' SER . . . . . 1.185 ' CB ' ' HA ' ' A' ' 87' ' ' THR . 46.6 t -166.52 -142.01 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.335 1.022 . . . . 0.0 110.043 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' THR . . . . . 0.521 HG22 ' CD1' ' A' ' 86' ' ' TYR . 9.2 t -133.41 176.61 8.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.457 1.098 . . . . 0.0 110.411 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -168.76 145.12 3.61 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.576 1.172 . . . . 0.0 109.358 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . 0.444 ' HG3' ' N ' ' A' ' 104' ' ' SER . 0.4 OUTLIER -150.45 161.88 41.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 109.363 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' SER . . . . . 0.724 ' O ' ' HXT' ' A' ' 105' ' ' ALA . 4.1 t -127.69 44.28 2.96 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 0.0 110.046 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . 0.724 ' HXT' ' O ' ' A' ' 104' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.392 0 O-C-N 124.507 1.129 . . . . 0.0 109.198 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.452 -0.36 0 N-CA-C 109.999 -0.371 . . . . 0.0 109.999 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 1.4 ttt85 -164.87 176.58 8.58 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.547 1.155 . . . . 0.0 110.231 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . 0.528 ' O ' ' CB ' ' A' ' 4' ' ' PHE . 23.7 t70 -161.75 165.75 27.56 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.392 1.058 . . . . 0.0 109.294 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.528 ' CB ' ' O ' ' A' ' 3' ' ' ASP . 0.6 OUTLIER 76.94 173.54 0.21 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 111.083 -179.965 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.533 ' CG2' ' HD2' ' A' ' 6' ' ' PRO . 0.2 OUTLIER -143.04 173.3 4.67 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.439 1.087 . . . . 0.0 110.329 -179.92 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.533 ' HD2' ' CG2' ' A' ' 5' ' ' THR . 18.4 Cg_endo -75.02 113.61 3.83 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.379 1.726 . . . . 0.0 111.031 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.594 ' HA ' ' HB3' ' A' ' 35' ' ' TYR . 18.2 Cg_endo -74.99 158.35 42.31 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.476 1.777 . . . . 0.0 110.965 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.542 ' O ' ' HA ' ' A' ' 32' ' ' VAL . 0.0 OUTLIER -158.26 127.49 5.71 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.57 1.169 . . . . 0.0 110.528 179.954 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.702 ' CG2' HG23 ' A' ' 32' ' ' VAL . 5.0 p -135.39 135.31 51.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 O-C-N 124.472 1.107 . . . . 0.0 109.265 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.511 ' HB2' HD11 ' A' ' 31' ' ' LEU . 11.1 mmmt -141.16 174.42 10.54 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.565 1.166 . . . . 0.0 109.384 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.552 ' CG1' ' O ' ' A' ' 99' ' ' ASP . 0.2 OUTLIER -128.47 126.89 66.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 O-C-N 124.404 1.065 . . . . 0.0 109.354 179.906 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.483 ' HB2' ' CD1' ' A' ' 29' ' ' LEU . 46.8 mt -120.87 127.4 51.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.454 1.096 . . . . 0.0 109.279 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -107.29 140.07 40.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.442 1.088 . . . . 0.0 110.386 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.491 ' HB3' ' CB ' ' A' ' 27' ' ' GLN . 0.2 OUTLIER -132.04 69.8 1.47 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.417 1.073 . . . . 0.0 109.961 -179.884 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 44.0 p -127.57 149.33 50.2 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.433 1.083 . . . . 0.0 110.005 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.424 ' O ' ' C ' ' A' ' 17' ' ' ASP . 8.6 t -155.88 77.9 0.97 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.371 1.044 . . . . 0.0 110.084 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.424 ' C ' ' O ' ' A' ' 16' ' ' SER . 0.0 OUTLIER -38.38 155.56 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.476 1.11 . . . . 0.0 109.303 -179.94 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 147.54 152.27 5.63 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.512 1.133 . . . . 0.0 111.064 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -103.98 129.2 9.77 Favored Glycine 0 CA--C 1.528 0.879 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 97.55 149.96 25.92 Favored Glycine 0 CA--C 1.532 1.109 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . 0.421 ' O ' ' O ' ' A' ' 22' ' ' PHE . 0.1 OUTLIER 71.09 112.58 0.06 Allowed 'General case' 0 C--N 1.323 -0.555 0 O-C-N 124.616 0.833 . . . . 0.0 109.603 -179.919 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.421 ' O ' ' O ' ' A' ' 21' ' ' HIS . 96.4 m-85 56.15 158.82 0.07 OUTLIER Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.622 1.201 . . . . 0.0 110.985 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.2 144.22 29.37 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.43 1.753 . . . . 0.0 110.914 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.42 ' C ' ' HB2' ' A' ' 77' ' ' GLN . 18.0 Cg_endo -75.0 106.43 2.27 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.629 1.857 . . . . 0.0 110.969 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 29.7 p -143.31 -166.83 2.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.448 1.093 . . . . 0.0 110.381 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.753 ' CD1' ' CZ3' ' A' ' 80' ' ' TRP . 0.4 OUTLIER -137.68 130.89 42.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 O-C-N 124.442 1.089 . . . . 0.0 109.293 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.512 ' HA ' ' O ' ' A' ' 73' ' ' LEU . 0.3 OUTLIER -117.59 86.07 2.45 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.57 1.169 . . . . 0.0 110.362 179.948 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.631 ' O ' ' HB3' ' A' ' 73' ' ' LEU . 2.9 mt -101.11 105.76 16.95 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.558 1.161 . . . . 0.0 109.282 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.835 ' HA ' ' HA ' ' A' ' 72' ' ' GLU . 0.3 OUTLIER -110.36 134.76 51.98 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.528 1.142 . . . . 0.0 109.339 179.918 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.496 ' SG ' ' O ' ' A' ' 10' ' ' LYS . 0.1 OUTLIER -90.74 162.52 14.85 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.474 1.109 . . . . 0.0 108.387 179.927 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.575 ' CD1' ' O ' ' A' ' 31' ' ' LEU . 0.2 OUTLIER -127.65 102.65 6.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.605 1.191 . . . . 0.0 109.246 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.801 ' O ' HG11 ' A' ' 32' ' ' VAL . 1.5 p -136.58 110.78 9.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 O-C-N 124.53 1.143 . . . . 0.0 109.227 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.834 ' CB ' ' HA ' ' A' ' 68' ' ' SER . 17.8 p -150.35 -179.03 6.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.581 1.176 . . . . 0.0 109.955 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.685 ' HA2' ' HB2' ' A' ' 66' ' ' LEU . . . 80.48 -46.66 3.3 Favored Glycine 0 CA--C 1.529 0.925 0 O-C-N 124.43 1.081 . . . . 0.0 111.009 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.774 ' CE2' ' CG2' ' A' ' 32' ' ' VAL . 14.7 p90 -65.67 152.43 44.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 0.752 . . . . 0.0 110.988 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.717 ' O ' ' CB ' ' A' ' 67' ' ' ALA . 4.1 m 49.56 139.64 0.01 OUTLIER Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.59 1.181 . . . . 0.0 110.376 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.431 ' HD3' ' HA ' ' A' ' 36' ' ' THR . 17.9 Cg_endo -75.09 -14.44 20.95 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.498 1.788 . . . . 0.0 110.981 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.655 ' O ' ' CB ' ' A' ' 39' ' ' THR . . . -125.42 0.17 8.04 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.528 1.142 . . . . 0.0 110.984 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.655 ' CB ' ' O ' ' A' ' 38' ' ' GLY . 0.7 OUTLIER 95.12 -168.24 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.451 0.736 . . . . 0.0 110.363 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.902 ' HB ' ' O ' ' A' ' 91' ' ' THR . 1.3 pt -128.47 -142.23 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.49 1.119 . . . . 0.0 109.394 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 58.8 t30 -108.58 153.6 23.15 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.31 1.006 . . . . 0.0 109.319 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.609 ' CG2' ' CB ' ' A' ' 58' ' ' ALA . 7.1 mt -117.33 128.02 74.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.552 1.157 . . . . 0.0 109.291 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.486 ' C ' ' CD1' ' A' ' 44' ' ' TRP . 7.6 m -157.65 163.65 38.01 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.112 . . . . 0.0 110.44 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 1.009 ' CZ3' ' HB3' ' A' ' 88' ' ' CYS . 19.2 m95 -143.0 130.65 21.34 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 124.516 1.135 . . . . 0.0 108.035 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.403 ' HB3' ' OE2' ' A' ' 98' ' ' GLU . 8.2 tp -84.32 104.79 14.64 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.617 1.198 . . . . 0.0 109.338 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.436 ' HG2' ' NH1' ' A' ' 84' ' ' ARG . 5.6 tm-20 -98.43 142.12 30.45 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.469 1.105 . . . . 0.0 110.339 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.523 ' CB ' ' HB ' ' A' ' 85' ' ' THR . 0.2 OUTLIER -154.63 104.56 2.55 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 109.425 179.947 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.426 ' HA3' ' HG3' ' A' ' 84' ' ' ARG . . . 160.81 -74.28 0.2 Allowed Glycine 0 CA--C 1.529 0.92 0 O-C-N 124.593 1.183 . . . . 0.0 111.011 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.425 ' O ' ' CE1' ' A' ' 79' ' ' HIS . 0.0 OUTLIER 172.14 101.49 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.46 0.741 . . . . 0.0 110.29 -179.954 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 14.5 p -64.35 109.5 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.564 1.165 . . . . 0.0 109.264 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' MET . . . . . 0.567 ' HB3' ' CE1' ' A' ' 79' ' ' HIS . 17.0 ptm -65.77 -155.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.443 1.089 . . . . 0.0 111.082 179.88 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.478 ' N ' ' HG3' ' A' ' 51' ' ' MET . 45.1 t0 -60.59 -58.11 9.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.578 1.174 . . . . 0.0 109.389 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -130.25 91.58 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.591 1.182 . . . . 0.0 109.257 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.518 ' HA ' ' O ' ' A' ' 74' ' ' THR . 1.1 t0 -144.91 80.25 1.62 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.448 1.092 . . . . 0.0 109.364 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.665 ' CD2' ' N ' ' A' ' 56' ' ' SER . 0.0 OUTLIER -140.0 163.35 32.92 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 109.397 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.897 ' HB2' ' CE2' ' A' ' 44' ' ' TRP . 0.0 OUTLIER -127.92 133.81 49.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.564 1.165 . . . . 0.0 110.002 -179.939 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -133.34 156.71 47.13 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.523 1.139 . . . . 0.0 110.374 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.83 ' CB ' ' HA ' ' A' ' 71' ' ' SER . . . -133.69 150.71 51.54 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.673 1.233 . . . . 0.0 109.352 179.843 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' SER . . . . . 0.601 ' O ' ' HA ' ' A' ' 69' ' ' THR . 0.4 OUTLIER -109.84 146.4 35.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 0.0 110.011 179.954 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 2.0 t -104.63 144.29 31.91 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.396 1.06 . . . . 0.0 110.472 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' THR . . . . . 0.734 ' OG1' ' O ' ' A' ' 68' ' ' SER . 1.2 p -138.86 159.44 42.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 110.41 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 34.2 tt0 -100.73 121.71 42.13 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.367 1.042 . . . . 0.0 110.248 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.586 ' O ' ' HG ' ' A' ' 66' ' ' LEU . 1.0 OUTLIER -120.33 60.82 0.87 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 0.0 110.247 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 75.66 -102.84 1.56 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.377 1.048 . . . . 0.0 110.981 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -101.87 -1.65 31.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 0.784 . . . . 0.0 110.277 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.685 ' HB2' ' HA2' ' A' ' 34' ' ' GLY . 0.3 OUTLIER -112.23 177.91 4.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 109.364 179.919 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.717 ' CB ' ' O ' ' A' ' 36' ' ' THR . . . -135.81 121.12 19.12 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.458 1.099 . . . . 0.0 109.203 -179.884 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' SER . . . . . 0.834 ' HA ' ' CB ' ' A' ' 33' ' ' SER . 19.1 t -101.98 118.77 37.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.954 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' THR . . . . . 0.601 ' HA ' ' O ' ' A' ' 59' ' ' SER . 0.9 OUTLIER -123.76 113.9 19.19 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.53 1.144 . . . . 0.0 110.424 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . 0.514 ' O ' ' HA ' ' A' ' 58' ' ' ALA . 6.0 pt20 -97.78 125.81 42.8 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.625 1.203 . . . . 0.0 110.31 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.83 ' HA ' ' CB ' ' A' ' 58' ' ' ALA . 0.7 OUTLIER -104.97 151.6 23.71 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.506 1.128 . . . . 0.0 110.035 179.983 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.835 ' HA ' ' HA ' ' A' ' 29' ' ' LEU . 1.5 mt-10 -143.09 155.07 44.53 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.428 1.08 . . . . 0.0 110.316 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.631 ' HB3' ' O ' ' A' ' 28' ' ' LEU . 11.4 tp -134.43 143.47 47.58 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.474 1.109 . . . . 0.0 109.413 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' THR . . . . . 0.518 ' O ' ' HA ' ' A' ' 54' ' ' ASP . 0.1 OUTLIER -141.62 117.02 10.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.456 1.098 . . . . 0.0 110.345 -179.94 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.779 HD13 HH21 ' A' ' 84' ' ' ARG . 0.1 OUTLIER -145.28 158.81 43.74 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.462 1.101 . . . . 0.0 109.313 179.934 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' SER . . . . . 0.499 ' N ' HD12 ' A' ' 75' ' ' LEU . 38.7 t -77.56 136.26 38.27 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.473 1.108 . . . . 0.0 110.065 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . 0.42 ' HB2' ' C ' ' A' ' 24' ' ' PRO . 0.0 OUTLIER -59.14 -34.59 72.25 Favored 'General case' 0 C--N 1.327 -0.399 0 O-C-N 124.521 1.138 . . . . 0.0 110.38 179.968 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 19.1 tttm -53.36 -51.09 63.59 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.42 1.075 . . . . 0.0 109.316 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . 0.567 ' CE1' ' HB3' ' A' ' 51' ' ' MET . 1.0 OUTLIER -56.72 -38.28 72.13 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 124.608 1.193 . . . . 0.0 109.691 179.925 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' TRP . . . . . 0.869 ' CE3' ' CZ ' ' A' ' 86' ' ' TYR . 13.1 t-105 -60.01 -33.86 72.56 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.547 1.154 . . . . 0.0 108.026 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.428 ' O ' ' OG ' ' A' ' 104' ' ' SER . 1.1 mt -65.36 -38.92 91.54 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.512 1.132 . . . . 0.0 109.325 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' SER . . . . . 0.502 ' O ' ' HB3' ' A' ' 83' ' ' ASP . 0.2 OUTLIER -79.4 8.22 6.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.597 1.185 . . . . 0.0 109.987 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . 0.585 ' CA ' ' HB2' ' A' ' 104' ' ' SER . 0.0 OUTLIER 69.1 149.14 0.07 Allowed 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.561 1.163 . . . . 0.0 109.309 179.949 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . 0.779 HH21 HD13 ' A' ' 75' ' ' LEU . 8.7 ttp85 -170.4 178.05 3.86 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.432 1.082 . . . . 0.0 110.318 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' THR . . . . . 0.523 ' HB ' ' CB ' ' A' ' 47' ' ' ASP . 1.2 m -132.09 97.83 4.26 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.116 . . . . 0.0 110.495 -179.911 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . 0.869 ' CZ ' ' CE3' ' A' ' 80' ' ' TRP . 0.0 OUTLIER -114.12 119.54 37.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.573 1.171 . . . . 0.0 110.939 -179.886 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' THR . . . . . 1.398 ' HA ' ' CB ' ' A' ' 100' ' ' SER . 0.9 OUTLIER -139.69 141.59 36.96 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 110.295 -179.951 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' CYS . . . . . 1.009 ' HB3' ' CZ3' ' A' ' 44' ' ' TRP . 29.6 p -94.36 100.25 12.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.596 1.185 . . . . 0.0 108.349 179.827 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . 0.491 ' H ' ' HA ' ' A' ' 44' ' ' TRP . 25.8 tt0 -94.62 104.82 16.76 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.676 1.235 . . . . 0.0 110.317 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.559 HG13 ' CG2' ' A' ' 32' ' ' VAL . 0.5 OUTLIER -100.18 122.04 51.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.521 1.138 . . . . 0.0 109.257 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' THR . . . . . 0.902 ' O ' ' HB ' ' A' ' 40' ' ' ILE . 0.6 OUTLIER -94.52 166.39 12.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.13 . . . . 0.0 110.295 -179.959 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . 0.861 ' CD1' HD11 ' A' ' 40' ' ' ILE . 31.6 m-85 -134.43 157.04 47.47 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 111.057 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -49.37 -21.82 0.97 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.535 1.147 . . . . 0.0 110.36 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -157.16 35.19 0.56 Allowed Glycine 0 CA--C 1.528 0.896 0 O-C-N 124.456 1.098 . . . . 0.0 111.054 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . 0.47 ' CA ' ' HB2' ' A' ' 92' ' ' TYR . 5.6 t60 -162.7 177.83 9.02 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.487 0.757 . . . . 0.0 109.566 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 13.3 t -160.94 152.98 19.95 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 110.392 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . 0.649 ' CZ ' HG11 ' A' ' 9' ' ' VAL . 3.4 t80 -161.42 158.64 27.07 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.619 1.199 . . . . 0.0 110.998 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . 0.478 ' HG2' ' CG2' ' A' ' 87' ' ' THR . 3.5 tt0 -156.11 133.07 10.51 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.584 1.177 . . . . 0.0 110.355 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . 0.593 ' HB2' ' CE1' ' A' ' 97' ' ' PHE . 0.7 OUTLIER -158.03 130.93 7.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.661 1.225 . . . . 0.0 109.387 -179.955 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' SER . . . . . 1.398 ' CB ' ' HA ' ' A' ' 87' ' ' THR . 7.8 t -171.82 -143.27 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.549 1.155 . . . . 0.0 110.05 -179.846 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' THR . . . . . 0.636 HG22 ' CE1' ' A' ' 86' ' ' TYR . 3.7 t -134.5 -176.15 4.12 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.292 0.995 . . . . 0.0 110.419 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . 0.488 ' N ' ' OG1' ' A' ' 101' ' ' THR . 16.3 pttt -169.38 -157.02 0.16 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.586 1.179 . . . . 0.0 109.275 -179.888 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . 0.745 ' HG2' ' N ' ' A' ' 104' ' ' SER . 0.0 OUTLIER 59.1 -174.71 0.1 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.411 1.069 . . . . 0.0 109.3 -179.956 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' SER . . . . . 0.745 ' N ' ' HG2' ' A' ' 103' ' ' LYS . 17.1 t -104.87 -124.36 0.22 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.613 1.196 . . . . 0.0 109.901 -179.887 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . 0.527 ' N ' ' OG ' ' A' ' 104' ' ' SER . . . . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 109.339 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 1.1 m . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 110.021 -0.363 . . . . 0.0 110.021 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 1.8 ttt180 174.11 173.52 0.18 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.142 . . . . 0.0 110.311 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . 0.701 ' O ' ' CD1' ' A' ' 4' ' ' PHE . 0.0 OUTLIER 52.11 176.86 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.568 0 O-C-N 124.457 1.098 . . . . 0.0 109.266 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.701 ' CD1' ' O ' ' A' ' 3' ' ' ASP . 0.0 OUTLIER 85.74 158.57 0.09 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.579 1.174 . . . . 0.0 110.912 179.887 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.45 ' OG1' ' HD2' ' A' ' 6' ' ' PRO . 0.4 OUTLIER -91.19 161.98 33.57 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.452 1.095 . . . . 0.0 110.472 179.951 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.45 ' HD2' ' OG1' ' A' ' 5' ' ' THR . 18.1 Cg_endo -75.05 116.1 4.48 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.403 1.738 . . . . 0.0 111.023 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.684 ' HA ' ' HB3' ' A' ' 35' ' ' TYR . 18.5 Cg_endo -74.94 153.53 42.13 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.53 1.805 . . . . 0.0 110.976 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.642 ' O ' ' HA ' ' A' ' 32' ' ' VAL . 0.0 OUTLIER -152.78 124.29 7.73 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.577 1.173 . . . . 0.0 110.43 179.908 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.701 ' CG2' HG21 ' A' ' 32' ' ' VAL . 6.9 p -131.36 137.8 54.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.592 1.183 . . . . 0.0 109.394 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.566 ' HB2' ' CD1' ' A' ' 31' ' ' LEU . 24.8 mttt -142.96 165.71 26.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.613 1.196 . . . . 0.0 109.253 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.502 HG12 ' HA ' ' A' ' 100' ' ' SER . 4.4 tp -126.57 117.21 47.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.384 1.053 . . . . 0.0 109.262 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.454 ' HB2' ' CD1' ' A' ' 29' ' ' LEU . 47.9 mt -113.13 129.52 56.48 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.505 1.128 . . . . 0.0 109.268 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.484 ' HB3' ' CD2' ' A' ' 28' ' ' LEU . 0.0 OUTLIER -106.31 138.95 41.57 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.422 1.076 . . . . 0.0 110.372 179.917 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.466 ' HB3' ' CB ' ' A' ' 27' ' ' GLN . 0.2 OUTLIER -132.61 71.59 1.47 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.496 1.122 . . . . 0.0 110.037 179.919 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 8.4 t -125.58 -39.54 2.15 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.414 1.071 . . . . 0.0 109.988 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.428 ' O ' ' HB2' ' A' ' 17' ' ' ASP . 0.4 OUTLIER -64.71 146.98 53.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 109.991 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.428 ' HB2' ' O ' ' A' ' 16' ' ' SER . 50.9 t0 176.78 171.61 0.47 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 109.256 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -41.94 110.99 0.26 Allowed Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.612 1.195 . . . . 0.0 111.051 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 74.83 -176.09 49.36 Favored Glycine 0 CA--C 1.531 1.049 0 N-CA-C 110.927 -0.869 . . . . 0.0 110.927 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -123.08 34.31 3.74 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.61 0.829 . . . . 0.0 111.039 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -142.33 3.3 1.52 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.529 0.782 . . . . 0.0 109.616 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.524 ' N ' ' CD ' ' A' ' 23' ' ' PRO . 0.2 OUTLIER -81.5 -49.66 0.96 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.701 1.251 . . . . 0.0 111.026 179.903 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . 0.524 ' CD ' ' N ' ' A' ' 22' ' ' PHE . 18.1 Cg_endo -74.92 113.67 3.85 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.475 1.776 . . . . 0.0 111.075 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.03 -33.25 4.69 Favored 'Trans proline' 0 C--N 1.359 1.095 0 O-C-N 124.617 1.851 . . . . 0.0 111.014 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.472 ' CG2' ' HA ' ' A' ' 76' ' ' SER . 67.5 p -136.36 -172.0 3.03 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.571 1.169 . . . . 0.0 110.355 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.721 ' CD1' ' CZ3' ' A' ' 80' ' ' TRP . 2.6 tt -109.85 133.81 53.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.417 1.073 . . . . 0.0 109.212 -179.845 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.47 ' HA ' ' O ' ' A' ' 73' ' ' LEU . 4.2 mt-30 -118.19 77.7 1.18 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.598 1.186 . . . . 0.0 110.34 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.518 ' O ' ' HB3' ' A' ' 73' ' ' LEU . 3.5 mt -96.39 106.45 18.68 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.494 1.121 . . . . 0.0 109.414 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.704 ' HA ' ' HA ' ' A' ' 72' ' ' GLU . 0.5 OUTLIER -115.48 131.83 56.81 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 109.325 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.532 ' HB2' ' HB2' ' A' ' 71' ' ' SER . 1.1 m -90.62 168.04 12.09 Favored 'General case' 0 C--N 1.327 -0.379 0 O-C-N 124.529 1.143 . . . . 0.0 108.229 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.585 ' C ' ' CD2' ' A' ' 31' ' ' LEU . 0.0 OUTLIER -128.42 97.91 4.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.464 1.102 . . . . 0.0 109.354 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.732 ' O ' HG12 ' A' ' 32' ' ' VAL . 1.4 p -129.93 106.8 13.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 O-C-N 124.535 1.147 . . . . 0.0 109.319 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.899 ' CB ' ' HA ' ' A' ' 68' ' ' SER . 8.3 p -148.86 -178.04 6.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.387 1.055 . . . . 0.0 109.89 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.636 ' HA2' ' HB3' ' A' ' 66' ' ' LEU . . . 80.31 -46.73 3.28 Favored Glycine 0 CA--C 1.531 1.083 0 O-C-N 124.496 1.123 . . . . 0.0 110.965 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.721 ' CE2' HG22 ' A' ' 32' ' ' VAL . 15.3 p90 -65.23 148.94 50.79 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.582 0.813 . . . . 0.0 110.958 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.721 ' O ' ' CB ' ' A' ' 67' ' ' ALA . 4.1 m 51.48 139.56 0.01 OUTLIER Pre-proline 0 C--N 1.326 -0.42 0 O-C-N 124.448 1.092 . . . . 0.0 110.394 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.452 ' C ' ' HB3' ' A' ' 67' ' ' ALA . 18.3 Cg_endo -74.98 -14.19 21.25 Favored 'Trans proline' 0 C--N 1.361 1.211 0 O-C-N 124.614 1.849 . . . . 0.0 111.076 179.906 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.582 ' O ' ' CB ' ' A' ' 39' ' ' THR . . . -124.94 3.93 8.47 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.364 1.04 . . . . 0.0 110.931 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.662 ' N ' ' CB ' ' A' ' 67' ' ' ALA . 0.5 OUTLIER 88.58 -168.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.407 0.71 . . . . 0.0 110.417 -179.942 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.872 ' HB ' ' O ' ' A' ' 91' ' ' THR . 1.2 pt -125.94 -139.92 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 0.0 109.354 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . 0.41 ' O ' HD12 ' A' ' 42' ' ' ILE . 63.7 t30 -114.11 157.04 23.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.401 1.063 . . . . 0.0 109.342 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.586 ' CG2' ' CB ' ' A' ' 58' ' ' ALA . 3.5 mm -115.05 128.96 72.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.449 1.093 . . . . 0.0 109.264 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.527 ' C ' ' CD1' ' A' ' 44' ' ' TRP . 1.2 m -153.39 159.27 42.37 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.519 1.137 . . . . 0.0 110.424 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 1.066 ' CZ3' ' HB3' ' A' ' 88' ' ' CYS . 20.2 m95 -146.17 130.34 17.49 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.047 -1.094 . . . . 0.0 108.047 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.404 ' HB2' ' OE1' ' A' ' 98' ' ' GLU . 0.5 OUTLIER -96.81 111.83 23.84 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.478 1.111 . . . . 0.0 109.453 179.962 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.416 ' CD ' ' HB ' ' A' ' 50' ' ' VAL . 2.4 tm-20 -101.89 142.97 32.38 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.525 1.141 . . . . 0.0 110.36 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.487 ' CB ' ' HB ' ' A' ' 85' ' ' THR . 0.2 OUTLIER -137.11 92.45 2.72 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.57 1.169 . . . . 0.0 109.311 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 156.24 40.52 0.02 OUTLIER Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.479 1.112 . . . . 0.0 110.989 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 52.1 mm-40 64.33 96.74 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.481 0.754 . . . . 0.0 110.395 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.416 ' HB ' ' CD ' ' A' ' 46' ' ' GLU . 8.9 p -86.06 43.55 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.447 1.092 . . . . 0.0 109.293 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -88.85 -12.81 40.83 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.438 1.086 . . . . 0.0 110.966 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.553 ' HB2' ' CE1' ' A' ' 79' ' ' HIS . 1.1 t70 -65.89 -154.73 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.453 1.096 . . . . 0.0 109.28 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.667 ' CG1' ' O ' ' A' ' 53' ' ' VAL . 1.0 OUTLIER -125.39 14.39 4.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.412 1.07 . . . . 0.0 109.246 -179.941 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.506 ' HB2' ' CB ' ' A' ' 75' ' ' LEU . 3.0 p30 -93.08 126.9 38.41 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.148 . . . . 0.0 109.393 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.621 HD21 ' C ' ' A' ' 56' ' ' SER . 0.0 OUTLIER -141.95 162.59 35.08 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.37 1.044 . . . . 0.0 109.28 -179.964 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.722 ' HB2' ' CE2' ' A' ' 44' ' ' TRP . 2.6 p -125.8 127.72 46.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 110.002 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' THR . . . . . 0.472 ' O ' ' N ' ' A' ' 72' ' ' GLU . 0.2 OUTLIER -130.84 163.84 26.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.606 1.191 . . . . 0.0 110.437 179.973 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.783 ' CB ' ' HA ' ' A' ' 71' ' ' SER . . . -131.11 150.99 51.9 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.118 . . . . 0.0 109.295 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' SER . . . . . 0.534 ' N ' ' O ' ' A' ' 70' ' ' GLN . 2.3 t -104.33 152.61 22.04 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.406 1.066 . . . . 0.0 109.976 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' THR . . . . . 0.515 ' CG2' HG21 ' A' ' 39' ' ' THR . 22.2 m -108.27 142.51 38.45 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.613 1.195 . . . . 0.0 110.38 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' THR . . . . . 0.665 ' OG1' ' O ' ' A' ' 68' ' ' SER . 0.7 OUTLIER -142.02 156.04 45.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.568 1.167 . . . . 0.0 110.423 179.964 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -99.88 127.45 46.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.449 1.093 . . . . 0.0 110.359 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -125.94 61.47 1.26 Allowed 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.396 1.06 . . . . 0.0 110.37 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 74.23 -105.42 1.83 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.512 1.133 . . . . 0.0 111.052 -179.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -100.99 0.32 37.95 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.582 0.813 . . . . 0.0 110.25 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.636 ' HB3' ' HA2' ' A' ' 34' ' ' GLY . 5.7 mp -111.37 176.91 4.83 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.563 1.164 . . . . 0.0 109.235 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.721 ' CB ' ' O ' ' A' ' 36' ' ' THR . . . -133.14 121.26 22.33 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.457 1.098 . . . . 0.0 109.321 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' SER . . . . . 0.899 ' HA ' ' CB ' ' A' ' 33' ' ' SER . 39.8 t -103.69 120.17 40.39 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.983 -179.911 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' THR . . . . . 0.606 ' HB ' ' OH ' ' A' ' 35' ' ' TYR . 0.9 OUTLIER -124.25 112.22 16.77 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.485 1.115 . . . . 0.0 110.464 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . 0.534 ' O ' ' N ' ' A' ' 59' ' ' SER . 4.5 tt0 -93.25 126.72 38.51 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.459 1.1 . . . . 0.0 110.262 -179.897 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.783 ' HA ' ' CB ' ' A' ' 58' ' ' ALA . 0.0 OUTLIER -100.9 146.37 27.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.972 -179.95 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.704 ' HA ' ' HA ' ' A' ' 29' ' ' LEU . 0.4 OUTLIER -140.88 154.05 45.98 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.352 1.032 . . . . 0.0 110.294 -179.973 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.626 ' CB ' ' HB3' ' A' ' 56' ' ' SER . 8.8 tt -137.55 134.9 36.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.45 1.094 . . . . 0.0 109.329 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' THR . . . . . 0.445 ' HA ' ' O ' ' A' ' 26' ' ' ILE . 0.0 OUTLIER -133.59 114.68 13.81 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.473 1.108 . . . . 0.0 110.456 179.904 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.695 ' CD2' ' CE2' ' A' ' 86' ' ' TYR . 0.3 OUTLIER -145.09 137.54 26.03 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.415 1.072 . . . . 0.0 109.34 -179.967 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' SER . . . . . 0.5 ' O ' ' CD1' ' A' ' 75' ' ' LEU . 48.2 m -65.38 137.88 57.78 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.485 1.116 . . . . 0.0 110.058 179.892 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 6.9 mm-40 -53.8 -28.01 32.64 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.463 1.102 . . . . 0.0 110.154 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 3.8 mttt -54.63 -54.81 36.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.456 1.097 . . . . 0.0 109.279 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . 0.553 ' CE1' ' HB2' ' A' ' 52' ' ' ASP . 0.6 OUTLIER -57.46 -37.83 73.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.595 1.184 . . . . 0.0 109.541 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' TRP . . . . . 0.922 ' CZ3' ' CE1' ' A' ' 86' ' ' TYR . 22.5 t-105 -60.28 -37.57 80.88 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.607 1.192 . . . . 0.0 108.063 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -68.69 -32.27 71.97 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.514 1.134 . . . . 0.0 109.322 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' SER . . . . . 0.552 ' O ' ' HB2' ' A' ' 83' ' ' ASP . 0.3 OUTLIER -76.8 5.11 8.28 Favored 'General case' 0 C--N 1.326 -0.413 0 O-C-N 124.488 1.118 . . . . 0.0 109.994 179.929 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . 0.552 ' HB2' ' O ' ' A' ' 82' ' ' SER . 20.0 m-20 70.1 146.72 0.06 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.464 1.102 . . . . 0.0 109.311 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . 0.543 ' NH2' ' HD1' ' A' ' 79' ' ' HIS . 6.7 ttp85 177.58 175.02 0.47 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.523 1.139 . . . . 0.0 110.214 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' THR . . . . . 0.487 ' HB ' ' CB ' ' A' ' 47' ' ' ASP . 0.8 OUTLIER -134.81 105.51 6.47 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.432 1.082 . . . . 0.0 110.452 179.902 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . 0.922 ' CE1' ' CZ3' ' A' ' 80' ' ' TRP . 0.0 OUTLIER -104.29 132.48 50.5 Favored 'General case' 0 C--N 1.322 -0.592 0 O-C-N 124.495 1.122 . . . . 0.0 111.023 -179.965 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' THR . . . . . 1.243 ' HA ' ' CB ' ' A' ' 100' ' ' SER . 0.2 OUTLIER -148.27 126.27 12.05 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.609 1.193 . . . . 0.0 110.417 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' CYS . . . . . 1.066 ' HB3' ' CZ3' ' A' ' 44' ' ' TRP . 17.1 p -84.51 99.39 10.69 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.524 1.14 . . . . 0.0 108.233 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . 0.472 ' HA ' ' HA ' ' A' ' 98' ' ' GLU . 52.5 tt0 -93.06 102.45 14.78 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.454 1.096 . . . . 0.0 110.297 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.489 HG11 ' CG2' ' A' ' 32' ' ' VAL . 0.5 OUTLIER -96.44 122.88 48.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.432 1.083 . . . . 0.0 109.168 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' THR . . . . . 0.872 ' O ' ' HB ' ' A' ' 40' ' ' ILE . 0.6 OUTLIER -92.53 165.85 12.81 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.538 1.149 . . . . 0.0 110.362 179.957 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . 0.819 ' CD1' HD13 ' A' ' 40' ' ' ILE . 36.7 m-85 -135.53 159.63 41.01 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.477 1.111 . . . . 0.0 111.05 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . 0.485 ' CG ' HG23 ' A' ' 36' ' ' THR . 0.8 OUTLIER -47.45 -26.35 1.33 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 110.339 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -156.65 33.58 0.58 Allowed Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.414 1.071 . . . . 0.0 110.938 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . 0.508 ' C ' ' HB2' ' A' ' 92' ' ' TYR . 2.7 t-160 -157.79 178.92 9.71 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.536 0.786 . . . . 0.0 109.569 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 12.5 t -159.37 156.5 28.62 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.466 1.103 . . . . 0.0 110.404 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . 0.661 ' CE1' HG22 ' A' ' 9' ' ' VAL . 18.1 t80 -160.7 160.01 30.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 111.007 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . 0.513 ' HG2' ' CG2' ' A' ' 87' ' ' THR . 29.5 tt0 -157.72 130.81 7.59 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.46 1.1 . . . . 0.0 110.293 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . 0.614 ' HB2' ' CE1' ' A' ' 97' ' ' PHE . 4.4 m-20 -158.28 129.64 6.56 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.617 1.198 . . . . 0.0 109.271 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' SER . . . . . 1.243 ' CB ' ' HA ' ' A' ' 87' ' ' THR . 40.7 t -167.02 -141.84 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.471 1.107 . . . . 0.0 109.929 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' THR . . . . . 0.486 ' O ' ' O ' ' A' ' 86' ' ' TYR . 9.0 t -132.17 173.02 11.67 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.476 1.11 . . . . 0.0 110.458 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . 0.416 ' CB ' ' OG1' ' A' ' 85' ' ' THR . 0.0 OUTLIER -171.43 137.17 1.06 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.555 1.159 . . . . 0.0 109.317 -179.833 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . 0.404 ' HG2' ' O ' ' A' ' 102' ' ' LYS . 2.7 mmtt -150.58 -173.67 4.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.545 1.153 . . . . 0.0 109.211 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' SER . . . . . 0.513 ' C ' ' OD1' ' A' ' 83' ' ' ASP . 5.0 t -149.39 18.83 0.94 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.53 1.144 . . . . 0.0 109.915 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . 0.499 ' HXT' ' OD1' ' A' ' 83' ' ' ASP . . . . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.428 1.08 . . . . 0.0 109.342 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' SER . . . . . 0.444 ' O ' ' C ' ' A' ' 2' ' ' ARG . 2.6 m . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 110.001 -0.37 . . . . 0.0 110.001 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . 0.444 ' C ' ' O ' ' A' ' 1' ' ' SER . 4.7 mtt85 35.68 -136.95 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.471 1.107 . . . . 0.0 110.375 -179.899 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . 0.428 ' O ' ' O ' ' A' ' 2' ' ' ARG . 0.0 OUTLIER 57.66 157.4 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.446 1.091 . . . . 0.0 109.332 -179.941 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.464 ' O ' ' CG ' ' A' ' 4' ' ' PHE . 0.6 OUTLIER 56.67 95.91 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.453 1.096 . . . . 0.0 110.955 -179.994 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.688 ' O ' ' HD3' ' A' ' 7' ' ' PRO . 0.5 OUTLIER -165.42 151.96 9.01 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.149 . . . . 0.0 110.346 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.625 ' HB3' ' CE1' ' A' ' 95' ' ' HIS . 18.5 Cg_endo -74.99 106.01 2.19 Favored 'Trans proline' 0 C--N 1.362 1.243 0 O-C-N 124.497 1.788 . . . . 0.0 111.009 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.881 ' HG3' ' N ' ' A' ' 35' ' ' TYR . 18.2 Cg_endo -74.97 -94.83 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.51 1.795 . . . . 0.0 110.973 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.642 ' OG1' ' C ' ' A' ' 7' ' ' PRO . 0.2 OUTLIER -171.14 149.94 2.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 110.332 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.466 ' CG2' ' HB ' ' A' ' 32' ' ' VAL . 9.3 p -132.37 148.45 31.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.605 1.19 . . . . 0.0 109.191 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.519 ' N ' ' O ' ' A' ' 31' ' ' LEU . 1.9 mtpt -135.77 162.84 31.65 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.589 1.181 . . . . 0.0 109.304 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.647 HG13 ' HA ' ' A' ' 100' ' ' SER . 0.0 OUTLIER -133.5 116.01 23.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 O-C-N 124.482 1.114 . . . . 0.0 109.324 179.982 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.581 ' CD1' ' CD2' ' A' ' 31' ' ' LEU . 72.5 mt -114.85 132.43 56.51 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.57 1.169 . . . . 0.0 109.322 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -107.18 148.99 28.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.332 1.02 . . . . 0.0 110.21 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.487 ' N ' ' O ' ' A' ' 27' ' ' GLN . 1.8 t -132.54 69.81 1.48 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.548 1.155 . . . . 0.0 109.881 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 35.1 p -112.53 83.84 1.88 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 0.0 109.983 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -85.38 -168.19 2.13 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.451 1.095 . . . . 0.0 110.057 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 19.5 t70 178.55 160.1 0.59 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.593 1.183 . . . . 0.0 109.292 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 160.97 -56.89 0.31 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.476 1.11 . . . . 0.0 111.032 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 162.37 144.77 4.11 Favored Glycine 0 CA--C 1.53 1.023 0 N-CA-C 110.9 -0.88 . . . . 0.0 110.9 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -179.51 154.36 13.68 Favored Glycine 0 CA--C 1.53 1.001 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 1.5 m-70 -78.58 -38.37 40.31 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.557 0.798 . . . . 0.0 109.621 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 6.8 m-85 -65.22 168.29 8.09 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.547 1.154 . . . . 0.0 110.974 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.01 139.29 24.09 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.494 1.786 . . . . 0.0 110.978 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.479 ' O ' ' CB ' ' A' ' 77' ' ' GLN . 18.0 Cg_endo -75.17 136.04 19.55 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.579 1.831 . . . . 0.0 111.036 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.484 ' CG2' ' HA ' ' A' ' 76' ' ' SER . 2.2 p -139.62 -179.93 6.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.154 . . . . 0.0 110.336 -179.906 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.653 HG23 ' CE3' ' A' ' 80' ' ' TRP . 0.0 OUTLIER -135.6 134.09 51.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.524 1.14 . . . . 0.0 109.311 -179.961 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.599 ' HA ' ' O ' ' A' ' 73' ' ' LEU . 0.9 OUTLIER -113.79 112.22 23.05 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.606 1.191 . . . . 0.0 110.344 179.916 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.541 ' O ' ' HB3' ' A' ' 73' ' ' LEU . 1.6 mt -110.75 106.07 15.15 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.561 1.163 . . . . 0.0 109.376 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.695 ' HA ' ' HA ' ' A' ' 72' ' ' GLU . 0.0 OUTLIER -112.04 125.47 54.12 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.529 1.143 . . . . 0.0 109.193 -179.895 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.496 ' HB2' ' CB ' ' A' ' 71' ' ' SER . 84.0 m -93.62 160.22 14.87 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.652 1.22 . . . . 0.0 108.29 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.581 ' CD2' ' CD1' ' A' ' 12' ' ' LEU . 0.1 OUTLIER -122.47 101.84 7.73 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.38 1.05 . . . . 0.0 109.337 179.943 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.829 ' CG2' ' HE2' ' A' ' 35' ' ' TYR . 6.5 p -133.47 124.52 48.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 109.309 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.881 ' CB ' ' HA ' ' A' ' 68' ' ' SER . 26.8 p -153.08 -179.88 8.09 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 109.937 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.755 ' HA2' ' HB3' ' A' ' 66' ' ' LEU . . . 90.16 -40.24 3.04 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.479 1.112 . . . . 0.0 111.128 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.881 ' N ' ' HG3' ' A' ' 7' ' ' PRO . 7.0 p90 -66.13 146.11 55.03 Favored 'General case' 0 C--N 1.328 -0.364 0 O-C-N 124.536 0.786 . . . . 0.0 110.925 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.808 ' O ' ' HB3' ' A' ' 67' ' ' ALA . 0.2 OUTLIER 43.58 158.22 0.01 OUTLIER Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.537 1.148 . . . . 0.0 110.344 179.948 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.64 ' C ' ' HB3' ' A' ' 67' ' ' ALA . 18.1 Cg_endo -75.11 -12.29 21.3 Favored 'Trans proline' 0 C--N 1.362 1.284 0 O-C-N 124.428 1.751 . . . . 0.0 110.925 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.696 ' C ' ' HB2' ' A' ' 67' ' ' ALA . . . -121.89 -45.62 0.33 Allowed Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.593 1.183 . . . . 0.0 111.029 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.646 ' CB ' ' O ' ' A' ' 38' ' ' GLY . 1.0 OUTLIER 155.02 169.86 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 0.775 . . . . 0.0 110.435 179.979 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 1.024 ' HB ' ' O ' ' A' ' 91' ' ' THR . 0.3 OUTLIER -98.45 -147.95 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.49 1.119 . . . . 0.0 109.285 -179.959 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . 0.609 ' N ' HG12 ' A' ' 40' ' ' ILE . 0.3 OUTLIER -97.98 132.86 43.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.607 1.192 . . . . 0.0 109.235 -179.967 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.517 HG22 ' CB ' ' A' ' 58' ' ' ALA . 6.8 mt -105.76 121.17 57.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.417 1.073 . . . . 0.0 109.376 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.526 ' C ' ' CD1' ' A' ' 44' ' ' TRP . 4.7 m -156.84 162.2 39.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.572 1.17 . . . . 0.0 110.418 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 1.081 ' CZ3' ' HB3' ' A' ' 88' ' ' CYS . 10.0 m95 -141.57 130.46 23.06 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.639 1.212 . . . . 0.0 107.973 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -91.95 112.09 23.89 Favored 'General case' 0 C--N 1.328 -0.363 0 O-C-N 124.519 1.137 . . . . 0.0 109.266 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.439 ' HG3' ' N ' ' A' ' 47' ' ' ASP . 1.2 tt0 -98.34 143.05 29.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 110.343 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.483 ' HB2' ' CG2' ' A' ' 85' ' ' THR . 0.1 OUTLIER -142.11 97.17 3.08 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.581 1.175 . . . . 0.0 109.413 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.44 ' HA3' ' CG ' ' A' ' 84' ' ' ARG . . . 139.66 44.02 0.07 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.451 1.094 . . . . 0.0 110.955 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 75.54 97.06 0.07 Allowed 'General case' 0 C--N 1.322 -0.602 0 O-C-N 124.406 0.709 . . . . 0.0 110.33 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.476 ' CG1' ' O ' ' A' ' 50' ' ' VAL . 5.7 p -83.39 103.58 10.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 109.195 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -84.84 150.35 25.07 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.523 1.14 . . . . 0.0 111.01 179.885 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -69.31 -3.03 12.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.537 1.148 . . . . 0.0 109.336 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.651 ' CG1' ' O ' ' A' ' 53' ' ' VAL . 0.9 OUTLIER -107.07 10.95 9.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.593 1.183 . . . . 0.0 109.286 179.973 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.441 ' HA ' ' O ' ' A' ' 74' ' ' THR . 25.8 m-20 -142.21 91.06 2.3 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.566 1.166 . . . . 0.0 109.304 -179.887 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.675 HD23 ' C ' ' A' ' 56' ' ' SER . 0.0 OUTLIER -137.28 162.26 34.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 0.0 109.41 179.944 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.917 ' HB2' ' CE2' ' A' ' 44' ' ' TRP . 0.0 OUTLIER -128.76 133.09 47.99 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.514 1.134 . . . . 0.0 109.972 179.949 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' THR . . . . . 0.499 ' O ' ' N ' ' A' ' 72' ' ' GLU . 0.2 OUTLIER -133.11 156.6 47.13 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 110.48 179.951 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.749 ' CB ' ' HA ' ' A' ' 71' ' ' SER . . . -128.5 151.39 49.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.457 1.098 . . . . 0.0 109.262 -179.848 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' SER . . . . . 0.555 ' O ' ' HA ' ' A' ' 69' ' ' THR . 0.4 OUTLIER -105.03 156.97 17.56 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.443 1.089 . . . . 0.0 109.993 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' THR . . . . . 0.616 ' HA ' ' OG1' ' A' ' 69' ' ' THR . 2.2 t -106.41 141.62 37.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.553 1.158 . . . . 0.0 110.331 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' THR . . . . . 0.801 ' OG1' ' O ' ' A' ' 68' ' ' SER . 0.0 OUTLIER -143.6 162.35 36.13 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.441 1.088 . . . . 0.0 110.433 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -98.43 129.21 45.05 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.56 1.162 . . . . 0.0 110.369 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -127.65 64.19 1.36 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.51 1.131 . . . . 0.0 110.351 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 73.86 -107.64 2.3 Favored Glycine 0 CA--C 1.531 1.077 0 O-C-N 124.428 1.08 . . . . 0.0 111.038 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -100.14 0.23 40.2 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.381 0.695 . . . . 0.0 110.33 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.755 ' HB3' ' HA2' ' A' ' 34' ' ' GLY . 5.3 mp -115.91 -175.82 2.81 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.557 1.161 . . . . 0.0 109.181 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.808 ' HB3' ' O ' ' A' ' 36' ' ' THR . . . -131.63 124.06 29.13 Favored 'General case' 0 C--N 1.327 -0.371 0 O-C-N 124.53 1.144 . . . . 0.0 109.36 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' SER . . . . . 0.881 ' HA ' ' CB ' ' A' ' 33' ' ' SER . 47.6 t -108.5 117.63 34.66 Favored 'General case' 0 C--N 1.323 -0.564 0 O-C-N 124.529 1.143 . . . . 0.0 110.135 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' THR . . . . . 0.84 ' HB ' ' OH ' ' A' ' 35' ' ' TYR . 0.7 OUTLIER -117.57 125.04 50.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.632 1.208 . . . . 0.0 110.451 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . 0.567 ' O ' ' HA ' ' A' ' 58' ' ' ALA . 2.3 tt0 -93.53 124.95 37.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.11 . . . . 0.0 110.247 -179.884 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.749 ' HA ' ' CB ' ' A' ' 58' ' ' ALA . 0.1 OUTLIER -97.13 143.67 27.72 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.463 1.102 . . . . 0.0 110.034 179.979 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.695 ' HA ' ' HA ' ' A' ' 29' ' ' LEU . 1.0 OUTLIER -136.88 155.83 49.26 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.569 1.168 . . . . 0.0 110.215 -179.962 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.623 ' HB2' ' HB3' ' A' ' 56' ' ' SER . 13.3 tp -140.39 147.43 39.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.59 1.181 . . . . 0.0 109.287 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' THR . . . . . 0.441 ' O ' ' HA ' ' A' ' 54' ' ' ASP . 0.1 OUTLIER -148.01 120.71 8.63 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.128 . . . . 0.0 110.313 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.699 ' N ' ' CD1' ' A' ' 75' ' ' LEU . 0.0 OUTLIER -141.82 167.05 23.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.603 1.189 . . . . 0.0 109.292 179.858 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' SER . . . . . 0.484 ' HA ' ' CG2' ' A' ' 25' ' ' THR . 41.0 t -87.8 141.13 28.83 Favored 'General case' 0 C--N 1.327 -0.408 0 O-C-N 124.433 1.083 . . . . 0.0 110.015 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . 0.479 ' CB ' ' O ' ' A' ' 24' ' ' PRO . 0.9 OUTLIER -59.53 -34.12 72.23 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.504 1.128 . . . . 0.0 110.373 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 15.5 tptt -54.14 -56.82 14.53 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.456 1.097 . . . . 0.0 109.257 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . 0.468 ' CB ' ' NH2' ' A' ' 84' ' ' ARG . 17.0 m80 -55.6 -34.97 65.34 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.412 1.07 . . . . 0.0 109.634 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' TRP . . . . . 0.918 ' CZ3' ' CZ ' ' A' ' 86' ' ' TYR . 25.2 t-105 -61.63 -41.24 97.21 Favored 'General case' 0 N--CA 1.451 -0.394 0 O-C-N 124.452 1.095 . . . . 0.0 108.06 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.526 ' HA ' ' CB ' ' A' ' 105' ' ' ALA . 9.3 tt -70.43 -32.41 69.99 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 109.36 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' SER . . . . . 0.551 ' O ' ' HB3' ' A' ' 83' ' ' ASP . 0.2 OUTLIER -77.42 8.01 4.72 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.586 1.179 . . . . 0.0 109.947 179.945 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . 0.575 ' CB ' ' HA ' ' A' ' 104' ' ' SER . 0.7 OUTLIER 68.42 146.21 0.05 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.504 1.127 . . . . 0.0 109.397 -179.971 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . 0.468 ' NH2' ' CB ' ' A' ' 79' ' ' HIS . 1.0 OUTLIER -179.19 177.36 0.79 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.46 1.1 . . . . 0.0 110.272 -179.978 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' THR . . . . . 0.483 ' CG2' ' HB2' ' A' ' 47' ' ' ASP . 0.9 OUTLIER -135.41 110.48 8.87 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.527 1.142 . . . . 0.0 110.314 179.954 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . 0.918 ' CZ ' ' CZ3' ' A' ' 80' ' ' TRP . 0.0 OUTLIER -112.67 121.82 45.87 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.518 1.136 . . . . 0.0 110.931 179.916 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' THR . . . . . 1.486 ' HA ' ' CB ' ' A' ' 100' ' ' SER . 6.1 m -139.15 138.36 36.91 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.54 1.15 . . . . 0.0 110.365 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' CYS . . . . . 1.081 ' HB3' ' CZ3' ' A' ' 44' ' ' TRP . 8.9 p -100.44 101.71 12.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.1 . . . . 0.0 108.307 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . 0.486 ' N ' ' O ' ' A' ' 43' ' ' THR . 27.5 tt0 -94.14 110.48 22.2 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.119 . . . . 0.0 110.322 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.57 HG12 ' CE1' ' A' ' 92' ' ' TYR . 0.3 OUTLIER -107.48 117.67 53.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 O-C-N 124.553 1.158 . . . . 0.0 109.344 -179.965 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' THR . . . . . 1.024 ' O ' ' HB ' ' A' ' 40' ' ' ILE . 7.0 m -100.1 154.15 18.65 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.398 1.061 . . . . 0.0 110.458 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . 0.798 ' HA ' ' HB ' ' A' ' 40' ' ' ILE . 0.7 OUTLIER -119.3 160.43 22.25 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.432 1.082 . . . . 0.0 111.098 179.905 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 6.4 pt20 -50.76 -23.69 2.89 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.463 1.102 . . . . 0.0 110.334 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -152.06 31.55 0.89 Allowed Glycine 0 CA--C 1.529 0.93 0 O-C-N 124.379 1.05 . . . . 0.0 111.023 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . 0.625 ' CE1' ' HB3' ' A' ' 6' ' ' PRO . 1.4 t-80 -157.73 179.46 9.2 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.445 0.732 . . . . 0.0 109.711 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' THR . . . . . 0.469 ' HA ' ' HA ' ' A' ' 91' ' ' THR . 8.8 t -160.14 152.85 21.23 Favored 'General case' 0 C--N 1.323 -0.573 0 O-C-N 124.453 1.096 . . . . 0.0 110.554 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -155.24 159.39 40.03 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.526 1.141 . . . . 0.0 110.967 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . 0.464 ' HG3' ' CG ' ' A' ' 89' ' ' GLN . 1.7 tt0 -155.67 110.28 2.91 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.489 1.118 . . . . 0.0 110.257 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . 0.506 ' O ' ' SG ' ' A' ' 88' ' ' CYS . 5.0 m-20 -138.45 127.05 23.39 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.457 1.098 . . . . 0.0 109.307 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' SER . . . . . 1.486 ' CB ' ' HA ' ' A' ' 87' ' ' THR . 0.3 OUTLIER -169.61 -152.92 0.1 Allowed 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.5 1.125 . . . . 0.0 110.044 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' THR . . . . . 0.423 ' O ' ' O ' ' A' ' 86' ' ' TYR . 9.0 t -137.85 173.78 11.27 Favored 'General case' 0 C--N 1.323 -0.563 0 O-C-N 124.511 1.132 . . . . 0.0 110.495 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 13.4 pttt -169.01 134.1 1.56 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.558 1.161 . . . . 0.0 109.3 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 11.8 mttt -149.17 -169.56 3.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 109.359 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' SER . . . . . 0.575 ' HA ' ' CB ' ' A' ' 83' ' ' ASP . 8.3 t -147.95 16.45 1.09 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 110.057 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . 0.526 ' CB ' ' HA ' ' A' ' 81' ' ' LEU . . . . . . . . 0 C--N 1.326 -0.423 0 O-C-N 124.44 1.088 . . . . 0.0 109.321 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 12.6 p . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 109.972 -0.381 . . . . 0.0 109.972 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -165.94 171.06 13.04 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.574 1.171 . . . . 0.0 110.218 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . 0.658 ' O ' ' CD1' ' A' ' 4' ' ' PHE . 23.1 t70 -163.77 160.75 22.84 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.428 1.08 . . . . 0.0 109.282 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.69 ' C ' ' CD1' ' A' ' 4' ' ' PHE . 0.0 OUTLIER 81.61 156.85 0.13 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 110.938 180.0 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.429 ' OG1' ' HD2' ' A' ' 6' ' ' PRO . 0.0 OUTLIER -91.19 155.44 44.57 Favored Pre-proline 0 C--N 1.327 -0.399 0 O-C-N 124.529 1.143 . . . . 0.0 110.369 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.429 ' HD2' ' OG1' ' A' ' 5' ' ' THR . 18.3 Cg_endo -74.91 113.61 3.83 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.508 1.794 . . . . 0.0 111.059 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.655 ' HA ' ' HB3' ' A' ' 35' ' ' TYR . 18.6 Cg_endo -74.89 153.08 42.1 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.364 1.718 . . . . 0.0 111.052 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.494 ' O ' ' HA ' ' A' ' 32' ' ' VAL . 0.0 OUTLIER -152.82 127.42 9.4 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.106 . . . . 0.0 110.389 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.708 ' CG2' HG23 ' A' ' 32' ' ' VAL . 4.4 p -131.95 141.92 44.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.531 1.144 . . . . 0.0 109.238 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.569 ' N ' ' O ' ' A' ' 31' ' ' LEU . 7.0 mtpt -139.15 166.63 24.03 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.54 1.15 . . . . 0.0 109.226 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.467 HG13 ' C ' ' A' ' 99' ' ' ASP . 0.3 OUTLIER -124.66 122.14 63.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 O-C-N 124.438 1.086 . . . . 0.0 109.407 179.925 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 22.4 mt -122.03 128.35 51.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.563 1.164 . . . . 0.0 109.364 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -107.33 139.84 41.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.383 1.052 . . . . 0.0 110.345 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.5 ' HB2' ' CB ' ' A' ' 27' ' ' GLN . 75.7 m -133.44 76.53 1.67 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 0.0 110.015 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.476 ' O ' ' CG ' ' A' ' 23' ' ' PRO . 16.3 p -126.4 -59.88 1.28 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.475 1.11 . . . . 0.0 110.032 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 4.9 t -79.52 -56.47 4.29 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.641 1.213 . . . . 0.0 110.1 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -85.89 10.83 12.76 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.542 1.151 . . . . 0.0 109.266 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -128.75 73.6 0.45 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.55 1.157 . . . . 0.0 110.956 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 142.05 162.23 9.11 Favored Glycine 0 CA--C 1.53 0.989 0 N-CA-C 111.031 -0.828 . . . . 0.0 111.031 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -83.54 125.2 6.92 Favored Glycine 0 CA--C 1.53 1.004 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 8.2 m-70 66.18 -83.64 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 0.758 . . . . 0.0 109.547 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -157.64 116.03 1.9 Allowed Pre-proline 0 C--N 1.323 -0.548 0 O-C-N 124.486 1.117 . . . . 0.0 111.016 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . 0.476 ' CG ' ' O ' ' A' ' 15' ' ' SER . 18.1 Cg_endo -74.93 141.45 26.87 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.553 1.818 . . . . 0.0 111.024 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -75.08 3.6 5.51 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.655 1.871 . . . . 0.0 110.998 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.419 ' HB ' ' O ' ' A' ' 75' ' ' LEU . 76.5 p -137.29 -171.56 2.99 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 110.444 179.87 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.713 ' CD1' ' CZ3' ' A' ' 80' ' ' TRP . 0.2 OUTLIER -135.23 139.11 47.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.545 1.153 . . . . 0.0 109.229 -179.964 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.591 ' HA ' ' O ' ' A' ' 73' ' ' LEU . 24.8 mt-30 -120.71 86.47 2.58 Favored 'General case' 0 C--N 1.327 -0.4 0 O-C-N 124.414 1.071 . . . . 0.0 110.342 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.649 ' O ' ' HB3' ' A' ' 73' ' ' LEU . 0.8 OUTLIER -95.12 101.76 13.53 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.442 1.089 . . . . 0.0 109.408 179.92 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.707 ' HA ' ' HA ' ' A' ' 72' ' ' GLU . 8.5 mp -99.85 118.59 36.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.565 1.166 . . . . 0.0 109.321 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.555 ' CB ' ' HB2' ' A' ' 71' ' ' SER . 0.4 OUTLIER -92.15 127.9 37.8 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.406 1.066 . . . . 0.0 108.254 -179.965 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.569 ' O ' ' N ' ' A' ' 10' ' ' LYS . 0.2 OUTLIER -94.94 119.85 34.16 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.12 . . . . 0.0 109.385 179.955 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.812 ' O ' HG12 ' A' ' 32' ' ' VAL . 1.3 p -147.74 108.61 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.411 1.07 . . . . 0.0 109.285 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.889 ' CB ' ' HA ' ' A' ' 68' ' ' SER . 25.6 p -147.46 -178.45 6.24 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.365 1.041 . . . . 0.0 110.052 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.528 ' O ' ' HB3' ' A' ' 66' ' ' LEU . . . 81.91 -49.52 4.1 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.484 1.115 . . . . 0.0 111.063 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.822 ' OH ' ' HB ' ' A' ' 69' ' ' THR . 4.0 p90 -62.1 146.93 49.04 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 0.753 . . . . 0.0 110.954 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.739 ' O ' ' CB ' ' A' ' 67' ' ' ALA . 3.7 m 50.58 138.07 0.01 OUTLIER Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.572 1.17 . . . . 0.0 110.338 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.1 -12.88 21.34 Favored 'Trans proline' 0 C--N 1.362 1.257 0 O-C-N 124.373 1.723 . . . . 0.0 110.971 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.654 ' O ' ' CB ' ' A' ' 39' ' ' THR . . . -124.39 4.65 8.8 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.484 1.115 . . . . 0.0 111.101 179.9 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.654 ' CB ' ' O ' ' A' ' 38' ' ' GLY . 0.7 OUTLIER 93.6 -166.39 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.452 0.736 . . . . 0.0 110.418 179.971 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.948 ' HB ' ' O ' ' A' ' 91' ' ' THR . 0.9 OUTLIER -135.01 -141.66 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.582 1.177 . . . . 0.0 109.359 179.938 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 56.5 t30 -115.93 160.78 19.76 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.442 1.089 . . . . 0.0 109.232 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.552 ' CG2' ' CB ' ' A' ' 58' ' ' ALA . 0.8 OUTLIER -114.06 136.45 50.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 O-C-N 124.51 1.131 . . . . 0.0 109.329 179.968 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.515 ' C ' ' CD1' ' A' ' 44' ' ' TRP . 1.1 m -155.6 151.52 27.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.564 1.165 . . . . 0.0 110.416 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 1.037 ' CZ3' ' HB3' ' A' ' 88' ' ' CYS . 20.9 m95 -144.82 130.55 19.07 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.024 -1.102 . . . . 0.0 108.024 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -105.68 117.75 34.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.438 1.086 . . . . 0.0 109.333 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.519 ' CD ' ' CZ ' ' A' ' 84' ' ' ARG . 1.0 OUTLIER -102.72 156.79 17.39 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.451 1.094 . . . . 0.0 110.255 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.557 ' CB ' ' HB ' ' A' ' 85' ' ' THR . 0.2 OUTLIER -150.25 102.49 3.08 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.529 1.143 . . . . 0.0 109.236 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.427 ' O ' ' CB ' ' A' ' 49' ' ' GLN . . . 150.36 58.75 0.01 OUTLIER Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.551 1.157 . . . . 0.0 110.998 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.443 ' O ' ' NH2' ' A' ' 84' ' ' ARG . 0.0 OUTLIER 80.26 102.72 0.06 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.388 0.699 . . . . 0.0 110.218 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 8.0 p -80.3 43.55 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 O-C-N 124.548 1.155 . . . . 0.0 109.213 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -87.25 -174.67 4.97 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.473 1.108 . . . . 0.0 111.038 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -64.67 82.32 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.516 1.135 . . . . 0.0 109.402 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.403 ' HA ' ' CE1' ' A' ' 79' ' ' HIS . 3.1 m -111.44 -113.28 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 O-C-N 124.312 1.008 . . . . 0.0 109.296 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.845 ' HB3' ' O ' ' A' ' 74' ' ' THR . 0.2 OUTLIER -143.71 -172.84 3.81 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.568 1.168 . . . . 0.0 109.335 179.956 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.653 HD23 ' C ' ' A' ' 56' ' ' SER . 0.0 OUTLIER -154.08 179.48 8.89 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.641 1.213 . . . . 0.0 109.286 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.848 ' HB2' ' CE2' ' A' ' 44' ' ' TRP . 0.1 OUTLIER -135.05 135.04 40.98 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.481 1.113 . . . . 0.0 109.981 -179.915 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -130.21 158.65 39.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.549 1.156 . . . . 0.0 110.437 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.786 ' CB ' ' HA ' ' A' ' 71' ' ' SER . . . -132.76 151.85 51.9 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.117 . . . . 0.0 109.216 -179.896 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' SER . . . . . 0.487 ' O ' ' HA ' ' A' ' 69' ' ' THR . 0.6 OUTLIER -107.93 154.44 21.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 0.0 110.024 179.977 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' THR . . . . . 0.55 ' HA ' ' OG1' ' A' ' 69' ' ' THR . 1.5 t -105.0 141.64 36.22 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.557 1.161 . . . . 0.0 110.452 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' THR . . . . . 0.735 ' OG1' ' O ' ' A' ' 68' ' ' SER . 0.0 OUTLIER -142.4 159.19 42.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.406 1.066 . . . . 0.0 110.504 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 -95.86 130.47 42.8 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.458 1.099 . . . . 0.0 110.271 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.446 ' O ' ' CD1' ' A' ' 66' ' ' LEU . 7.7 mt-10 -129.53 64.23 1.5 Allowed 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.509 1.131 . . . . 0.0 110.258 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 73.39 -107.92 2.36 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.559 1.162 . . . . 0.0 110.996 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -99.81 0.32 41.33 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 0.779 . . . . 0.0 110.255 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.528 ' HB3' ' O ' ' A' ' 34' ' ' GLY . 0.0 OUTLIER -115.73 179.22 4.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.558 1.161 . . . . 0.0 109.331 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.739 ' CB ' ' O ' ' A' ' 36' ' ' THR . . . -129.53 118.98 22.93 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.582 1.176 . . . . 0.0 109.283 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' SER . . . . . 0.889 ' HA ' ' CB ' ' A' ' 33' ' ' SER . 23.0 t -102.82 115.29 30.31 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.54 1.15 . . . . 0.0 109.996 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' THR . . . . . 0.822 ' HB ' ' OH ' ' A' ' 35' ' ' TYR . 0.8 OUTLIER -116.37 119.63 36.27 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.49 1.119 . . . . 0.0 110.398 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . 0.48 ' O ' ' N ' ' A' ' 59' ' ' SER . 0.7 OUTLIER -93.26 125.87 38.08 Favored 'General case' 0 C--N 1.323 -0.559 0 O-C-N 124.54 1.15 . . . . 0.0 110.271 -179.951 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.786 ' HA ' ' CB ' ' A' ' 58' ' ' ALA . 0.8 OUTLIER -106.15 141.71 37.05 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.559 1.162 . . . . 0.0 110.107 179.949 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.707 ' HA ' ' HA ' ' A' ' 29' ' ' LEU . 0.5 OUTLIER -133.86 150.09 51.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.364 1.04 . . . . 0.0 110.381 -179.914 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.66 ' HA ' ' HB3' ' A' ' 56' ' ' SER . 1.3 tp -129.6 138.2 51.13 Favored 'General case' 0 C--N 1.323 -0.562 0 O-C-N 124.598 1.186 . . . . 0.0 109.41 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' THR . . . . . 0.845 ' O ' ' HB3' ' A' ' 54' ' ' ASP . 0.0 OUTLIER -137.55 117.08 12.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.449 1.093 . . . . 0.0 110.372 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.528 ' HA ' ' CB ' ' A' ' 54' ' ' ASP . 0.1 OUTLIER -145.44 158.02 43.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 109.278 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' SER . . . . . 0.501 ' O ' ' CD1' ' A' ' 75' ' ' LEU . 0.4 OUTLIER -84.97 141.38 30.38 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 109.973 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 11.4 tm0? -60.12 -28.33 67.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.451 1.094 . . . . 0.0 110.258 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.48 -54.89 26.42 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.489 1.118 . . . . 0.0 109.376 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . 0.466 ' HB2' ' CD1' ' A' ' 75' ' ' LEU . 18.3 m170 -58.24 -42.74 87.01 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.112 . . . . 0.0 109.585 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' TRP . . . . . 1.028 ' CZ3' ' CZ ' ' A' ' 86' ' ' TYR . 6.4 t-105 -60.63 -19.17 57.34 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.496 1.123 . . . . 0.0 108.044 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.416 ' C ' ' H ' ' A' ' 83' ' ' ASP . 0.1 OUTLIER -81.52 -43.55 18.61 Favored 'General case' 0 C--N 1.328 -0.355 0 O-C-N 124.428 1.08 . . . . 0.0 109.271 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 1.1 p -82.24 30.63 0.4 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.566 1.166 . . . . 0.0 110.039 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . 0.667 ' HA ' ' O ' ' A' ' 104' ' ' SER . 0.0 OUTLIER 60.72 149.59 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.539 1.149 . . . . 0.0 109.292 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . 0.528 HH12 ' N ' ' A' ' 47' ' ' ASP . 0.0 OUTLIER -178.42 165.35 1.77 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.586 1.179 . . . . 0.0 110.171 -179.921 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' THR . . . . . 0.557 ' HB ' ' CB ' ' A' ' 47' ' ' ASP . 0.9 OUTLIER -129.98 118.15 21.18 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.54 1.15 . . . . 0.0 110.45 -179.97 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . 1.028 ' CZ ' ' CZ3' ' A' ' 80' ' ' TRP . 0.0 OUTLIER -109.12 130.37 55.48 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.584 1.178 . . . . 0.0 110.963 -179.905 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' THR . . . . . 1.377 ' HA ' ' CB ' ' A' ' 100' ' ' SER . 1.8 m -145.23 123.97 12.59 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.531 1.144 . . . . 0.0 110.466 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' CYS . . . . . 1.037 ' HB3' ' CZ3' ' A' ' 44' ' ' TRP . 20.4 p -96.58 96.81 8.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 108.262 -179.869 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . 0.439 ' N ' ' O ' ' A' ' 43' ' ' THR . 33.9 tt0 -92.27 114.44 26.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.144 . . . . 0.0 110.316 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.632 HG11 ' CE1' ' A' ' 92' ' ' TYR . 3.1 t -103.5 133.81 46.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.448 1.092 . . . . 0.0 109.3 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' THR . . . . . 0.948 ' O ' ' HB ' ' A' ' 40' ' ' ILE . 1.2 m -107.89 163.86 12.76 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.563 1.164 . . . . 0.0 110.375 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . 0.759 ' CD2' HG22 ' A' ' 40' ' ' ILE . 2.1 m-85 -138.41 150.65 46.72 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.473 1.108 . . . . 0.0 111.043 179.862 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 5.8 pt20 -50.42 -21.63 1.54 Allowed 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.52 1.137 . . . . 0.0 110.354 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -154.28 36.44 0.7 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.44 1.088 . . . . 0.0 111.047 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . 0.561 ' CA ' ' HB2' ' A' ' 92' ' ' TYR . 2.2 t-80 -166.08 172.75 11.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 0.755 . . . . 0.0 109.677 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 13.6 t -160.73 154.78 22.86 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.455 1.097 . . . . 0.0 110.454 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . 0.655 ' CD1' ' CG1' ' A' ' 9' ' ' VAL . 24.4 t80 -169.94 164.54 9.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.441 1.088 . . . . 0.0 111.067 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . 0.621 ' N ' ' CD1' ' A' ' 97' ' ' PHE . 41.8 tt0 -152.07 133.51 14.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.149 . . . . 0.0 110.397 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . 0.744 ' O ' ' SG ' ' A' ' 88' ' ' CYS . 0.1 OUTLIER -148.39 125.29 11.27 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.501 1.126 . . . . 0.0 109.279 -179.97 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' SER . . . . . 1.377 ' CB ' ' HA ' ' A' ' 87' ' ' THR . 0.3 OUTLIER -167.4 -155.27 0.18 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.54 1.15 . . . . 0.0 110.058 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' THR . . . . . 0.572 HG21 ' CE1' ' A' ' 86' ' ' TYR . 4.5 t -143.08 173.96 11.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.368 1.042 . . . . 0.0 110.441 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.73 119.33 8.53 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.438 1.086 . . . . 0.0 109.317 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . 0.844 ' HZ3' ' HXT' ' A' ' 105' ' ' ALA . 0.0 OUTLIER -166.85 -116.54 0.01 OUTLIER 'General case' 0 N--CA 1.452 -0.347 0 O-C-N 124.509 1.131 . . . . 0.0 109.294 -179.953 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' SER . . . . . 0.775 ' HA ' ' CD1' ' A' ' 80' ' ' TRP . 1.8 t 66.97 17.82 10.54 Favored 'General case' 0 C--N 1.323 -0.564 0 O-C-N 124.543 1.152 . . . . 0.0 110.012 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . 0.844 ' HXT' ' HZ3' ' A' ' 103' ' ' LYS . . . . . . . . 0 C--N 1.326 -0.441 0 O-C-N 124.468 1.105 . . . . 0.0 109.256 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 27.7 m . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 110.032 -0.358 . . . . 0.0 110.032 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 177.89 141.31 0.09 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.566 1.166 . . . . 0.0 110.277 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -155.66 134.41 11.91 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.525 1.14 . . . . 0.0 109.263 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER 60.8 141.45 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.476 1.11 . . . . 0.0 110.897 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.48 ' CG2' ' HG ' ' A' ' 66' ' ' LEU . 0.1 OUTLIER -85.97 169.32 15.88 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.496 1.122 . . . . 0.0 110.389 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.95 113.26 3.75 Favored 'Trans proline' 0 C--N 1.359 1.103 0 O-C-N 124.466 1.772 . . . . 0.0 111.094 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.596 ' HA ' ' HB3' ' A' ' 35' ' ' TYR . 18.6 Cg_endo -74.95 158.35 42.44 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.417 1.746 . . . . 0.0 110.999 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.408 ' O ' ' HA ' ' A' ' 32' ' ' VAL . 2.8 t -161.15 139.1 9.42 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.357 1.036 . . . . 0.0 110.459 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.576 ' CG2' HG22 ' A' ' 32' ' ' VAL . 5.0 p -135.95 143.45 36.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.547 1.154 . . . . 0.0 109.27 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.57 ' N ' ' O ' ' A' ' 31' ' ' LEU . 0.1 OUTLIER -135.96 165.53 25.45 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.456 1.098 . . . . 0.0 109.296 -179.966 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.51 ' CG1' ' O ' ' A' ' 99' ' ' ASP . 0.1 OUTLIER -135.86 120.95 27.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.587 1.179 . . . . 0.0 109.287 -179.871 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.583 ' CD1' ' O ' ' A' ' 29' ' ' LEU . 0.0 OUTLIER -129.36 136.47 50.03 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.577 1.173 . . . . 0.0 109.185 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.449 ' HB3' ' CD2' ' A' ' 28' ' ' LEU . 0.0 OUTLIER -103.56 146.46 28.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.372 1.045 . . . . 0.0 110.272 179.932 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.435 ' HB3' ' CB ' ' A' ' 27' ' ' GLN . 0.1 OUTLIER -132.8 76.19 1.67 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.625 1.203 . . . . 0.0 109.97 -179.965 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 6.5 p -123.77 -41.86 2.22 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.582 1.176 . . . . 0.0 109.958 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.416 ' O ' ' C ' ' A' ' 17' ' ' ASP . 0.1 OUTLIER 77.17 166.6 0.24 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.458 1.099 . . . . 0.0 109.998 -179.941 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.416 ' C ' ' O ' ' A' ' 16' ' ' SER . 0.0 OUTLIER -39.05 157.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.583 1.177 . . . . 0.0 109.372 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 136.81 116.22 1.51 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.438 1.086 . . . . 0.0 111.023 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -90.05 38.89 3.15 Favored Glycine 0 CA--C 1.531 1.056 0 N-CA-C 110.951 -0.86 . . . . 0.0 110.951 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 99.64 -49.8 1.17 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.582 0.813 . . . . 0.0 111.14 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 9.4 p80 -85.17 66.18 9.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.613 0.831 . . . . 0.0 109.6 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.628 ' CB ' ' HD3' ' A' ' 23' ' ' PRO . 0.1 OUTLIER -177.27 -55.81 0.0 OUTLIER Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 0.0 110.991 -179.939 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . 0.628 ' HD3' ' CB ' ' A' ' 22' ' ' PHE . 18.6 Cg_endo -74.94 121.72 6.78 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.57 1.826 . . . . 0.0 111.024 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 -43.25 0.41 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.513 1.796 . . . . 0.0 111.045 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.407 ' CG2' ' HA ' ' A' ' 76' ' ' SER . 6.0 p -137.07 -167.29 2.07 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 0.0 110.396 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.663 HD13 ' CZ3' ' A' ' 80' ' ' TRP . 0.1 OUTLIER -138.1 135.14 44.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 109.231 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.496 ' HA ' ' O ' ' A' ' 73' ' ' LEU . 6.9 mt-30 -117.68 83.61 2.02 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.571 1.169 . . . . 0.0 110.396 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.654 ' O ' ' HB3' ' A' ' 73' ' ' LEU . 1.5 mt -99.04 110.75 23.3 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 109.288 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.755 ' HA ' ' HA ' ' A' ' 72' ' ' GLU . 0.0 OUTLIER -114.62 154.47 28.3 Favored 'General case' 0 C--N 1.323 -0.56 0 O-C-N 124.51 1.131 . . . . 0.0 109.34 179.955 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.479 ' HB2' ' HB3' ' A' ' 71' ' ' SER . 0.1 OUTLIER -108.97 159.39 16.86 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.503 1.127 . . . . 0.0 108.37 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.57 ' O ' ' N ' ' A' ' 10' ' ' LYS . 6.6 mp -123.03 90.05 3.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.422 1.076 . . . . 0.0 109.302 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.792 ' O ' HG12 ' A' ' 32' ' ' VAL . 0.9 OUTLIER -124.1 114.14 39.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.511 1.132 . . . . 0.0 109.338 179.969 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.846 ' CB ' ' HA ' ' A' ' 68' ' ' SER . 16.9 p -154.09 -179.79 8.21 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.553 1.158 . . . . 0.0 110.072 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.71 ' HA2' ' HB3' ' A' ' 66' ' ' LEU . . . 81.85 -46.16 3.43 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.555 1.159 . . . . 0.0 110.99 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.741 ' O ' ' O ' ' A' ' 36' ' ' THR . 7.3 p90 -65.73 152.5 44.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.415 0.715 . . . . 0.0 111.001 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.756 ' O ' ' CB ' ' A' ' 67' ' ' ALA . 4.4 m 47.26 138.21 0.0 OUTLIER Pre-proline 0 C--N 1.327 -0.392 0 O-C-N 124.44 1.087 . . . . 0.0 110.368 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.417 ' C ' ' HB1' ' A' ' 67' ' ' ALA . 18.0 Cg_endo -74.99 -12.94 21.55 Favored 'Trans proline' 0 C--N 1.362 1.251 0 O-C-N 124.453 1.765 . . . . 0.0 111.013 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.647 ' O ' ' CB ' ' A' ' 39' ' ' THR . . . -124.87 2.73 8.56 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.546 1.154 . . . . 0.0 111.039 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.647 ' CB ' ' O ' ' A' ' 38' ' ' GLY . 0.7 OUTLIER 93.53 -166.72 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.542 0.789 . . . . 0.0 110.417 179.949 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.947 ' HB ' ' O ' ' A' ' 91' ' ' THR . 0.8 OUTLIER -133.72 -141.21 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 109.319 179.921 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 2.1 m120 -108.42 155.48 20.52 Favored 'General case' 0 C--N 1.322 -0.59 0 O-C-N 124.573 1.171 . . . . 0.0 109.34 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.601 ' CG2' ' CB ' ' A' ' 58' ' ' ALA . 6.6 mt -120.07 130.26 74.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.495 1.122 . . . . 0.0 109.268 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.467 ' OG1' ' C ' ' A' ' 42' ' ' ILE . 3.5 m -159.09 161.74 36.46 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.421 1.076 . . . . 0.0 110.505 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 1.088 ' CZ3' ' HB3' ' A' ' 88' ' ' CYS . 21.5 m95 -140.66 129.54 23.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.57 1.169 . . . . 0.0 108.007 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 7.7 tp -91.0 104.55 17.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.547 1.154 . . . . 0.0 109.278 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.457 ' OE1' ' NE2' ' A' ' 49' ' ' GLN . 1.0 OUTLIER -100.51 152.93 19.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.629 1.206 . . . . 0.0 110.349 179.977 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.476 ' CB ' ' HB ' ' A' ' 85' ' ' THR . 0.4 OUTLIER -150.25 96.74 2.45 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.463 1.102 . . . . 0.0 109.315 -179.908 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.438 ' O ' ' HB3' ' A' ' 49' ' ' GLN . . . 117.88 59.68 0.29 Allowed Glycine 0 CA--C 1.531 1.092 0 O-C-N 124.482 1.114 . . . . 0.0 110.949 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.498 ' HB3' ' NH1' ' A' ' 84' ' ' ARG . 3.6 pp0? 175.57 104.89 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.6 0.824 . . . . 0.0 110.264 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.503 ' CG1' ' N ' ' A' ' 51' ' ' MET . 1.4 p -62.41 -154.16 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 O-C-N 124.559 1.162 . . . . 0.0 109.325 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' MET . . . . . 0.503 ' N ' ' CG1' ' A' ' 50' ' ' VAL . 0.2 OUTLIER -68.32 54.6 0.08 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.568 1.168 . . . . 0.0 110.955 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.616 ' CG ' ' CE1' ' A' ' 79' ' ' HIS . 7.9 t0 -66.82 -156.53 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.593 1.183 . . . . 0.0 109.238 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.606 ' CG1' ' O ' ' A' ' 53' ' ' VAL . 0.9 OUTLIER -117.6 7.36 7.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.135 . . . . 0.0 109.393 179.972 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.468 ' HB2' ' CB ' ' A' ' 75' ' ' LEU . 3.5 p30 -95.12 115.24 27.17 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.545 1.153 . . . . 0.0 109.291 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.696 ' CD2' ' N ' ' A' ' 56' ' ' SER . 0.0 OUTLIER -136.58 160.88 37.46 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.47 1.106 . . . . 0.0 109.375 179.944 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.824 ' HB2' ' CE2' ' A' ' 44' ' ' TRP . 0.1 OUTLIER -126.14 128.73 47.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.14 . . . . 0.0 109.984 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' THR . . . . . 0.452 ' O ' ' N ' ' A' ' 72' ' ' GLU . 0.3 OUTLIER -133.16 159.07 41.23 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.442 1.089 . . . . 0.0 110.362 179.969 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.893 ' CB ' ' HA ' ' A' ' 71' ' ' SER . . . -134.6 150.96 50.75 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.541 1.151 . . . . 0.0 109.327 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' SER . . . . . 0.603 ' O ' ' HA ' ' A' ' 69' ' ' THR . 0.1 OUTLIER -107.96 148.02 30.24 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.554 1.159 . . . . 0.0 109.998 -179.94 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' THR . . . . . 0.403 ' HA ' ' OG1' ' A' ' 69' ' ' THR . 2.2 t -105.16 143.49 33.27 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.539 1.149 . . . . 0.0 110.501 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' THR . . . . . 0.741 ' OG1' ' O ' ' A' ' 68' ' ' SER . 0.8 OUTLIER -138.36 158.58 44.0 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.523 1.139 . . . . 0.0 110.357 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -99.68 125.56 45.56 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.417 1.073 . . . . 0.0 110.276 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -128.1 66.0 1.37 Allowed 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.357 1.036 . . . . 0.0 110.295 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 74.41 -108.08 2.43 Favored Glycine 0 CA--C 1.529 0.932 0 O-C-N 124.5 1.125 . . . . 0.0 111.047 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -100.84 0.64 38.99 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.508 0.77 . . . . 0.0 110.32 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.71 ' HB3' ' HA2' ' A' ' 34' ' ' GLY . 5.9 mp -112.5 176.54 4.97 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.53 1.144 . . . . 0.0 109.296 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.756 ' CB ' ' O ' ' A' ' 36' ' ' THR . . . -134.95 121.59 20.72 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.501 1.125 . . . . 0.0 109.169 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' SER . . . . . 0.846 ' HA ' ' CB ' ' A' ' 33' ' ' SER . 26.7 t -102.68 120.12 40.02 Favored 'General case' 0 C--N 1.327 -0.375 0 O-C-N 124.413 1.07 . . . . 0.0 110.006 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' THR . . . . . 0.646 ' HB ' ' OH ' ' A' ' 35' ' ' TYR . 0.9 OUTLIER -123.89 115.72 21.74 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.355 1.034 . . . . 0.0 110.348 -179.944 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . 0.486 ' O ' ' HA ' ' A' ' 58' ' ' ALA . 1.2 pt20 -97.8 122.89 41.43 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.387 1.055 . . . . 0.0 110.227 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.893 ' HA ' ' CB ' ' A' ' 58' ' ' ALA . 1.1 t -100.4 154.03 18.84 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.468 1.105 . . . . 0.0 110.025 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.755 ' HA ' ' HA ' ' A' ' 29' ' ' LEU . 1.1 mt-10 -146.45 156.3 43.19 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.492 1.12 . . . . 0.0 110.264 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.654 ' HB3' ' O ' ' A' ' 28' ' ' LEU . 25.0 tp -135.77 141.26 44.78 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.437 1.086 . . . . 0.0 109.245 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -138.16 115.9 11.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.433 1.083 . . . . 0.0 110.436 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.498 ' CD2' HG21 ' A' ' 26' ' ' ILE . 0.4 OUTLIER -141.45 157.6 44.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.254 -179.977 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' SER . . . . . 0.479 ' O ' ' CD1' ' A' ' 75' ' ' LEU . 0.2 OUTLIER -84.95 143.66 28.83 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.53 1.143 . . . . 0.0 109.984 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . 0.412 ' CD ' ' O ' ' A' ' 23' ' ' PRO . 19.0 pt20 -57.16 -31.7 65.64 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.499 1.124 . . . . 0.0 110.246 -179.875 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.41 ' N ' ' HG3' ' A' ' 77' ' ' GLN . 0.0 OUTLIER -52.79 -57.51 9.94 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.571 1.17 . . . . 0.0 109.323 -179.981 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . 0.616 ' CE1' ' CG ' ' A' ' 52' ' ' ASP . 0.4 OUTLIER -56.7 -37.86 71.5 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 109.583 179.971 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' TRP . . . . . 0.922 ' CZ3' ' CZ ' ' A' ' 86' ' ' TYR . 8.9 t-105 -62.47 -36.98 84.18 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 107.962 -1.125 . . . . 0.0 107.962 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -69.84 -32.8 71.4 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.579 1.174 . . . . 0.0 109.251 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' SER . . . . . 0.461 ' O ' ' HB3' ' A' ' 83' ' ' ASP . 1.4 t -76.25 4.7 8.22 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.461 1.1 . . . . 0.0 110.017 -179.908 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . 0.501 ' CB ' ' HA ' ' A' ' 104' ' ' SER . 0.2 OUTLIER 67.38 143.67 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.398 0 O-C-N 124.534 1.146 . . . . 0.0 109.314 -179.968 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . 0.498 ' NH1' ' HB3' ' A' ' 49' ' ' GLN . 0.0 OUTLIER 179.33 -171.25 0.14 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 110.28 179.921 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' THR . . . . . 0.476 ' HB ' ' CB ' ' A' ' 47' ' ' ASP . 0.7 OUTLIER -134.05 129.72 36.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 0.0 110.463 179.968 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . 0.922 ' CZ ' ' CZ3' ' A' ' 80' ' ' TRP . 0.0 OUTLIER -127.44 116.44 20.44 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.485 1.116 . . . . 0.0 111.092 179.929 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' THR . . . . . 1.447 ' HA ' ' CB ' ' A' ' 100' ' ' SER . 8.6 m -139.4 137.71 35.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.669 1.231 . . . . 0.0 110.408 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' CYS . . . . . 1.088 ' HB3' ' CZ3' ' A' ' 44' ' ' TRP . 22.2 p -97.21 100.24 11.71 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.487 1.117 . . . . 0.0 108.332 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . 0.45 ' H ' ' HA ' ' A' ' 44' ' ' TRP . 5.7 tt0 -93.04 116.94 29.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.149 . . . . 0.0 110.333 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.567 HG11 ' CE1' ' A' ' 92' ' ' TYR . 2.7 t -105.03 136.51 38.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.385 1.053 . . . . 0.0 109.283 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' THR . . . . . 0.947 ' O ' ' HB ' ' A' ' 40' ' ' ILE . 1.0 OUTLIER -110.76 165.7 11.62 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.616 1.197 . . . . 0.0 110.326 -179.948 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . 0.777 ' CD1' HD11 ' A' ' 40' ' ' ILE . 8.8 m-85 -140.85 156.61 46.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.45 1.094 . . . . 0.0 110.993 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -47.82 -24.79 1.07 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.487 1.117 . . . . 0.0 110.319 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -156.78 35.83 0.57 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.401 1.063 . . . . 0.0 110.973 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . 0.517 ' CA ' ' HB2' ' A' ' 92' ' ' TYR . 1.2 t-80 -161.71 178.52 8.92 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.553 0.796 . . . . 0.0 109.591 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' THR . . . . . 0.415 ' O ' ' CD2' ' A' ' 97' ' ' PHE . 6.0 t -159.22 167.09 29.91 Favored 'General case' 0 C--N 1.323 -0.576 0 O-C-N 124.519 1.137 . . . . 0.0 110.448 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . 0.435 ' CD1' ' CG1' ' A' ' 9' ' ' VAL . 4.4 m-85 -162.48 161.85 27.24 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.538 1.149 . . . . 0.0 111.033 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . 0.444 ' HG3' ' CB ' ' A' ' 89' ' ' GLN . 7.7 tt0 -159.2 115.04 2.56 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.393 1.058 . . . . 0.0 110.289 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . 0.567 ' O ' ' SG ' ' A' ' 88' ' ' CYS . 1.0 OUTLIER -144.17 125.12 14.34 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.414 1.071 . . . . 0.0 109.357 -179.973 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' SER . . . . . 1.447 ' CB ' ' HA ' ' A' ' 87' ' ' THR . 0.3 OUTLIER -173.13 -151.32 0.05 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.471 1.107 . . . . 0.0 109.984 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' THR . . . . . 0.578 HG22 ' CE1' ' A' ' 86' ' ' TYR . 3.8 t -138.0 -179.78 5.98 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 110.406 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . 0.449 ' N ' ' OG1' ' A' ' 101' ' ' THR . 0.0 OUTLIER -166.41 140.96 4.3 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.586 1.179 . . . . 0.0 109.306 180.0 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . 0.506 ' HD2' ' CE2' ' A' ' 80' ' ' TRP . 0.0 OUTLIER -150.43 167.16 27.94 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.52 1.137 . . . . 0.0 109.363 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' SER . . . . . 0.501 ' HA ' ' CB ' ' A' ' 83' ' ' ASP . 6.3 t -139.76 41.82 2.0 Allowed 'General case' 0 C--N 1.323 -0.574 0 O-C-N 124.584 1.178 . . . . 0.0 110.022 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . 0.439 ' H ' ' CG ' ' A' ' 103' ' ' LYS . . . . . . . . 0 C--N 1.324 -0.539 0 O-C-N 124.589 1.18 . . . . 0.0 109.38 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.35 135.13 53.96 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.444 1.09 . . . . 0.0 110.289 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -165.09 168.67 17.06 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.457 1.098 . . . . 0.0 109.336 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.565 ' CZ ' ' HD3' ' A' ' 7' ' ' PRO . 0.0 OUTLIER 63.14 130.95 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.537 1.148 . . . . 0.0 111.016 179.953 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.461 HG22 ' N ' ' A' ' 6' ' ' PRO . 0.5 OUTLIER -86.99 166.06 28.49 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.521 1.138 . . . . 0.0 110.416 179.979 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.461 ' N ' HG22 ' A' ' 5' ' ' THR . 18.0 Cg_endo -74.94 117.3 4.87 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.547 1.814 . . . . 0.0 111.042 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.565 ' HD3' ' CZ ' ' A' ' 4' ' ' PHE . 18.2 Cg_endo -75.08 157.18 42.56 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.567 1.825 . . . . 0.0 110.922 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.57 ' O ' ' HA ' ' A' ' 32' ' ' VAL . 0.0 OUTLIER -148.87 123.3 9.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.536 1.148 . . . . 0.0 110.426 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.583 ' CG2' HG21 ' A' ' 32' ' ' VAL . 3.3 p -128.91 139.7 51.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.52 1.138 . . . . 0.0 109.252 -179.876 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.554 ' N ' ' O ' ' A' ' 31' ' ' LEU . 8.8 tptt -136.89 149.93 47.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 109.268 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.594 HG12 ' HA ' ' A' ' 100' ' ' SER . 0.5 OUTLIER -128.09 118.71 49.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.426 1.079 . . . . 0.0 109.268 -179.939 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.607 ' O ' HD23 ' A' ' 12' ' ' LEU . 0.0 OUTLIER -128.38 148.09 50.68 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.468 1.105 . . . . 0.0 109.341 -179.944 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -108.97 146.29 34.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.125 . . . . 0.0 110.384 179.86 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.485 ' O ' ' HB2' ' A' ' 27' ' ' GLN . 6.5 t -132.52 79.13 1.84 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.462 1.101 . . . . 0.0 109.918 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 42.7 t -114.29 -54.49 2.58 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.521 1.138 . . . . 0.0 109.971 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.416 ' O ' ' C ' ' A' ' 17' ' ' ASP . 18.9 p -76.09 -59.87 2.57 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.57 1.169 . . . . 0.0 109.977 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.416 ' C ' ' O ' ' A' ' 16' ' ' SER . 35.3 t70 -39.23 157.14 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 109.248 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 120.85 58.63 0.23 Allowed Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.488 1.117 . . . . 0.0 110.99 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 44.38 -100.34 0.02 OUTLIER Glycine 0 CA--C 1.529 0.941 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -137.59 144.45 15.86 Favored Glycine 0 CA--C 1.531 1.073 0 N-CA-C 110.994 -0.843 . . . . 0.0 110.994 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 70.28 145.68 0.06 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.627 0.839 . . . . 0.0 109.561 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 36.2 p90 -165.87 149.48 6.98 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.543 1.152 . . . . 0.0 110.991 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.89 159.43 41.73 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.562 1.822 . . . . 0.0 111.033 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.97 68.58 5.71 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.484 1.781 . . . . 0.0 111.035 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.403 ' HB ' ' O ' ' A' ' 75' ' ' LEU . 82.4 p -144.97 -168.55 2.96 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.556 1.16 . . . . 0.0 110.365 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.764 ' CD1' ' CZ3' ' A' ' 80' ' ' TRP . 0.4 OUTLIER -143.51 137.44 25.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.533 1.145 . . . . 0.0 109.305 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.486 ' HA ' ' O ' ' A' ' 73' ' ' LEU . 23.1 mt-30 -115.69 84.92 2.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.378 1.049 . . . . 0.0 110.355 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.563 ' O ' ' CB ' ' A' ' 73' ' ' LEU . 1.3 mt -92.62 104.51 16.8 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 109.354 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.65 ' HA ' ' HA ' ' A' ' 72' ' ' GLU . 8.6 mp -104.35 132.71 50.3 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 109.346 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.534 ' CB ' ' HB2' ' A' ' 71' ' ' SER . 0.1 OUTLIER -106.99 116.57 32.16 Favored 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.507 1.129 . . . . 0.0 108.26 -179.96 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.554 ' O ' ' N ' ' A' ' 10' ' ' LYS . 0.2 OUTLIER -92.08 113.0 25.15 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.556 1.16 . . . . 0.0 109.295 179.93 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.77 ' CG2' ' CE2' ' A' ' 35' ' ' TYR . 3.7 p -142.6 114.13 3.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.513 1.133 . . . . 0.0 109.265 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.903 ' CB ' ' HA ' ' A' ' 68' ' ' SER . 24.3 p -148.5 -175.94 5.12 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.599 1.187 . . . . 0.0 109.973 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.503 ' O ' ' HB3' ' A' ' 66' ' ' LEU . . . 80.37 -47.65 3.47 Favored Glycine 0 CA--C 1.529 0.923 0 O-C-N 124.352 1.033 . . . . 0.0 111.061 -179.895 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.913 ' OH ' ' HB ' ' A' ' 69' ' ' THR . 7.4 p90 -60.63 144.93 50.76 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.504 0.767 . . . . 0.0 111.123 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.738 ' O ' ' CB ' ' A' ' 67' ' ' ALA . 7.7 m 48.64 138.34 0.0 OUTLIER Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.42 1.075 . . . . 0.0 110.395 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.409 ' C ' ' HB1' ' A' ' 67' ' ' ALA . 17.9 Cg_endo -75.08 -9.59 20.73 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.656 1.871 . . . . 0.0 111.018 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.671 ' O ' ' CB ' ' A' ' 39' ' ' THR . . . -124.07 3.55 9.08 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.393 1.058 . . . . 0.0 111.108 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.671 ' CB ' ' O ' ' A' ' 38' ' ' GLY . 0.8 OUTLIER 95.41 -167.91 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.39 0 O-C-N 124.456 0.739 . . . . 0.0 110.398 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.993 ' HB ' ' O ' ' A' ' 91' ' ' THR . 2.0 pt -132.9 -143.11 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.544 1.152 . . . . 0.0 109.226 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 8.0 m-80 -111.9 150.19 30.81 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.512 1.132 . . . . 0.0 109.295 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.569 ' CG2' ' CB ' ' A' ' 58' ' ' ALA . 4.7 mt -115.23 123.27 70.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 109.403 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.531 ' C ' ' CD1' ' A' ' 44' ' ' TRP . 2.6 m -148.98 160.98 42.81 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.582 1.176 . . . . 0.0 110.276 -179.915 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 1.112 ' CZ3' ' HB3' ' A' ' 88' ' ' CYS . 18.9 m95 -145.27 131.34 19.33 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.475 1.109 . . . . 0.0 108.027 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 14.4 tp -94.56 103.7 15.65 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.468 1.105 . . . . 0.0 109.268 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.48 ' OE1' ' CG2' ' A' ' 50' ' ' VAL . 52.4 tt0 -100.5 86.59 3.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.113 . . . . 0.0 110.341 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.547 ' CB ' ' HB ' ' A' ' 85' ' ' THR . 0.4 OUTLIER -84.33 86.44 7.26 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.399 1.062 . . . . 0.0 109.332 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.438 ' O ' ' HD2' ' A' ' 84' ' ' ARG . . . 166.91 40.14 0.02 OUTLIER Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.424 1.078 . . . . 0.0 110.972 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 65.35 96.81 0.05 OUTLIER 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.53 0.782 . . . . 0.0 110.302 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.48 ' CG2' ' OE1' ' A' ' 46' ' ' GLU . 8.2 p -85.9 40.7 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.578 1.174 . . . . 0.0 109.325 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -88.57 -20.04 25.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 111.001 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -64.2 -157.33 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.623 1.202 . . . . 0.0 109.311 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.683 ' CG1' ' O ' ' A' ' 53' ' ' VAL . 0.9 OUTLIER -118.05 14.37 7.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.534 1.146 . . . . 0.0 109.241 179.961 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.518 ' HB2' ' CB ' ' A' ' 75' ' ' LEU . 2.7 p30 -91.77 114.99 27.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.567 1.167 . . . . 0.0 109.238 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.672 HD23 ' C ' ' A' ' 56' ' ' SER . 0.0 OUTLIER -139.06 161.84 36.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 109.279 179.883 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.839 ' HB2' ' CE2' ' A' ' 44' ' ' TRP . 1.4 p -128.21 129.56 46.64 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.444 1.09 . . . . 0.0 109.944 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -130.94 159.42 37.51 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 0.0 110.377 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.733 ' CB ' ' HA ' ' A' ' 71' ' ' SER . . . -130.95 152.19 50.54 Favored 'General case' 0 C--N 1.327 -0.403 0 O-C-N 124.424 1.077 . . . . 0.0 109.301 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' SER . . . . . 0.589 ' N ' ' O ' ' A' ' 70' ' ' GLN . 0.1 OUTLIER -105.8 163.11 12.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 0.0 110.001 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' THR . . . . . 0.531 HG23 ' CG2' ' A' ' 39' ' ' THR . 1.4 m -108.65 141.83 40.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 110.43 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' THR . . . . . 0.789 ' OG1' ' O ' ' A' ' 68' ' ' SER . 0.0 OUTLIER -142.84 159.26 42.57 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.601 1.188 . . . . 0.0 110.49 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -102.77 130.78 49.85 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.101 . . . . 0.0 110.331 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -127.82 60.28 1.45 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.618 1.199 . . . . 0.0 110.342 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 73.58 -105.12 1.72 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.36 1.038 . . . . 0.0 111.036 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -100.1 -1.28 37.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 0.755 . . . . 0.0 110.247 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.503 ' HB3' ' O ' ' A' ' 34' ' ' GLY . 0.1 OUTLIER -111.57 176.31 5.07 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.515 1.134 . . . . 0.0 109.309 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.738 ' CB ' ' O ' ' A' ' 36' ' ' THR . . . -127.91 119.52 25.74 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.501 1.125 . . . . 0.0 109.291 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' SER . . . . . 0.903 ' HA ' ' CB ' ' A' ' 33' ' ' SER . 41.9 t -105.5 121.58 44.24 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.51 1.131 . . . . 0.0 109.904 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' THR . . . . . 0.913 ' HB ' ' OH ' ' A' ' 35' ' ' TYR . 0.7 OUTLIER -124.05 118.81 27.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.12 . . . . 0.0 110.324 179.91 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . 0.589 ' O ' ' N ' ' A' ' 59' ' ' SER . 5.5 mt-30 -91.12 129.55 37.11 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.583 1.177 . . . . 0.0 110.27 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.733 ' HA ' ' CB ' ' A' ' 58' ' ' ALA . 0.9 OUTLIER -110.9 144.52 39.83 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.383 1.052 . . . . 0.0 109.972 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.65 ' HA ' ' HA ' ' A' ' 29' ' ' LEU . 1.1 mt-10 -136.33 156.16 49.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.422 1.076 . . . . 0.0 110.324 -179.908 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.669 ' CB ' ' HB3' ' A' ' 56' ' ' SER . 8.0 tt -138.12 137.53 37.79 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 0.0 109.326 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -136.47 114.63 11.54 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.459 1.099 . . . . 0.0 110.394 -179.888 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.635 ' CD2' HG22 ' A' ' 26' ' ' ILE . 0.8 OUTLIER -141.64 158.39 43.88 Favored 'General case' 0 C--N 1.323 -0.56 0 O-C-N 124.575 1.172 . . . . 0.0 109.337 179.913 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' SER . . . . . 0.517 ' O ' ' CD1' ' A' ' 75' ' ' LEU . 0.5 OUTLIER -84.22 139.28 32.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.428 1.08 . . . . 0.0 109.983 -179.911 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 17.4 tt0 -61.3 -33.75 74.09 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.511 1.132 . . . . 0.0 110.271 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -52.55 -56.96 11.62 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.458 1.099 . . . . 0.0 109.337 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . 0.629 ' CD2' ' C ' ' A' ' 79' ' ' HIS . 0.0 OUTLIER -54.27 -42.9 70.49 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.454 1.096 . . . . 0.0 109.476 -179.967 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' TRP . . . . . 0.867 ' CE3' ' CZ ' ' A' ' 86' ' ' TYR . 8.5 t-105 -53.0 -35.51 59.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.567 1.167 . . . . 0.0 107.984 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.448 ' C ' ' H ' ' A' ' 83' ' ' ASP . 0.7 OUTLIER -67.45 -37.31 82.79 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.094 . . . . 0.0 109.321 -179.952 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' SER . . . . . 0.449 ' O ' ' HB2' ' A' ' 83' ' ' ASP . 28.1 t -79.34 22.11 0.45 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.581 1.176 . . . . 0.0 109.945 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . 0.486 ' OD1' ' OG ' ' A' ' 104' ' ' SER . 2.2 m-20 62.92 149.3 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.382 1.051 . . . . 0.0 109.287 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . 0.566 ' CB ' ' NE2' ' A' ' 79' ' ' HIS . 0.0 OUTLIER 179.7 160.88 0.84 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.615 1.197 . . . . 0.0 110.35 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' THR . . . . . 0.547 ' HB ' ' CB ' ' A' ' 47' ' ' ASP . 1.2 m -121.38 101.02 7.36 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.445 1.091 . . . . 0.0 110.406 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . 0.867 ' CZ ' ' CE3' ' A' ' 80' ' ' TRP . 0.0 OUTLIER -103.82 120.35 40.8 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.483 1.114 . . . . 0.0 110.99 -179.932 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' THR . . . . . 1.412 ' HA ' ' CB ' ' A' ' 100' ' ' SER . 2.2 m -144.87 133.66 22.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 110.342 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' CYS . . . . . 1.112 ' HB3' ' CZ3' ' A' ' 44' ' ' TRP . 6.4 p -95.8 99.47 11.29 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.56 1.162 . . . . 0.0 108.319 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . 0.4 ' CA ' ' HG3' ' A' ' 98' ' ' GLU . 4.8 tt0 -92.56 107.72 19.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 110.304 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.6 HG11 ' CE1' ' A' ' 92' ' ' TYR . 0.5 OUTLIER -100.0 122.36 51.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 O-C-N 124.518 1.136 . . . . 0.0 109.215 -179.951 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' THR . . . . . 0.993 ' O ' ' HB ' ' A' ' 40' ' ' ILE . 1.0 OUTLIER -101.29 164.46 11.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.562 1.164 . . . . 0.0 110.359 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . 0.823 ' HA ' ' HB ' ' A' ' 40' ' ' ILE . 1.8 m-85 -134.16 154.24 51.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.41 1.069 . . . . 0.0 110.99 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -50.72 -22.47 2.11 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.585 1.178 . . . . 0.0 110.247 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -152.26 34.35 0.84 Allowed Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.495 1.122 . . . . 0.0 111.026 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . 0.531 ' CA ' ' HB2' ' A' ' 92' ' ' TYR . 1.7 t-160 -165.08 176.18 8.77 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.568 0.805 . . . . 0.0 109.654 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 14.6 t -159.16 154.67 25.85 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.521 1.138 . . . . 0.0 110.471 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . 0.522 ' CD1' HG11 ' A' ' 9' ' ' VAL . 0.2 OUTLIER -163.68 160.72 23.04 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.544 1.153 . . . . 0.0 110.962 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . 0.447 ' HG2' ' CG2' ' A' ' 87' ' ' THR . 28.1 tt0 -157.15 133.82 10.02 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.111 . . . . 0.0 110.208 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . 0.719 ' O ' ' SG ' ' A' ' 88' ' ' CYS . 46.5 m-20 -154.96 127.63 8.02 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.443 1.089 . . . . 0.0 109.418 179.893 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' SER . . . . . 1.412 ' CB ' ' HA ' ' A' ' 87' ' ' THR . 1.1 t -172.41 -151.14 0.06 Allowed 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.471 1.107 . . . . 0.0 109.889 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' THR . . . . . 0.568 HG23 ' CD1' ' A' ' 86' ' ' TYR . 5.0 t -138.53 174.47 10.5 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.433 1.083 . . . . 0.0 110.394 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -164.72 116.6 1.23 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.703 1.252 . . . . 0.0 109.314 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 2.8 tttt -165.11 -146.81 0.09 Allowed 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.506 1.129 . . . . 0.0 109.351 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' SER . . . . . 0.582 ' HA ' ' O ' ' A' ' 80' ' ' TRP . 5.9 t -154.47 10.35 0.36 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.536 1.147 . . . . 0.0 110.02 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . 0.414 ' N ' ' HE1' ' A' ' 80' ' ' TRP . . . . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.441 1.088 . . . . 0.0 109.289 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 1.6 m . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 109.937 -0.394 . . . . 0.0 109.937 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 3.2 ttm-85 -165.14 -177.97 4.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.573 1.171 . . . . 0.0 110.252 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . 0.457 ' O ' ' CB ' ' A' ' 4' ' ' PHE . 19.2 t70 -156.62 163.47 39.29 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.632 1.207 . . . . 0.0 109.23 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.457 ' CB ' ' O ' ' A' ' 3' ' ' ASP . 1.1 t80 72.5 151.67 0.11 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.507 1.13 . . . . 0.0 110.978 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.493 HG23 ' CD2' ' A' ' 66' ' ' LEU . 0.5 OUTLIER -87.7 161.86 43.54 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.453 1.095 . . . . 0.0 110.348 -179.849 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.44 ' HD2' ' OG1' ' A' ' 5' ' ' THR . 17.9 Cg_endo -75.08 110.7 3.16 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.502 1.791 . . . . 0.0 110.917 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.662 ' HA ' ' HB3' ' A' ' 35' ' ' TYR . 17.9 Cg_endo -75.05 161.59 38.37 Favored 'Trans proline' 0 C--N 1.359 1.087 0 O-C-N 124.601 1.842 . . . . 0.0 110.962 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.603 ' O ' ' HA ' ' A' ' 32' ' ' VAL . 0.0 OUTLIER -153.88 126.4 8.08 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 0.0 110.346 -179.949 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.693 HG12 ' CG ' ' A' ' 97' ' ' PHE . 4.3 p -132.94 142.26 42.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 O-C-N 124.443 1.09 . . . . 0.0 109.161 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.544 ' N ' ' O ' ' A' ' 31' ' ' LEU . 2.8 mttt -142.12 166.33 25.01 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.612 1.195 . . . . 0.0 109.311 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.551 ' CG1' ' O ' ' A' ' 99' ' ' ASP . 0.2 OUTLIER -130.28 120.35 48.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 109.244 -179.972 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.525 ' HB2' ' CD1' ' A' ' 29' ' ' LEU . 57.4 mt -124.3 130.82 53.18 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.111 . . . . 0.0 109.399 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.478 ' HB3' ' CD2' ' A' ' 28' ' ' LEU . 0.0 OUTLIER -107.49 141.24 39.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.451 1.094 . . . . 0.0 110.285 -179.952 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.461 ' HB3' ' CB ' ' A' ' 27' ' ' GLN . 0.1 OUTLIER -132.5 72.7 1.5 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.609 1.193 . . . . 0.0 109.965 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 3.1 t -126.15 -58.68 1.36 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.486 1.116 . . . . 0.0 109.937 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.4 ' O ' ' O ' ' A' ' 17' ' ' ASP . 5.4 m 61.83 168.34 0.11 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.456 1.098 . . . . 0.0 110.009 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.4 ' O ' ' O ' ' A' ' 16' ' ' SER . 0.0 OUTLIER -40.0 158.79 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.469 1.105 . . . . 0.0 109.415 179.894 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -42.15 145.22 0.83 Allowed Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.563 1.165 . . . . 0.0 111.013 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 104.44 -77.67 0.27 Allowed Glycine 0 CA--C 1.531 1.045 0 N-CA-C 110.927 -0.869 . . . . 0.0 110.927 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 72.62 -59.05 1.65 Allowed Glycine 0 CA--C 1.53 0.972 0 N-CA-C 110.924 -0.87 . . . . 0.0 110.924 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -160.45 -46.93 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.386 0.698 . . . . 0.0 109.568 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.601 ' CB ' ' HD3' ' A' ' 23' ' ' PRO . 0.2 OUTLIER -177.37 -54.41 0.0 OUTLIER Pre-proline 0 C--N 1.327 -0.411 0 O-C-N 124.459 1.099 . . . . 0.0 110.966 179.961 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . 0.601 ' HD3' ' CB ' ' A' ' 22' ' ' PHE . 18.2 Cg_endo -75.1 118.2 5.16 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.466 1.771 . . . . 0.0 111.027 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.75 72.76 4.38 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.629 1.858 . . . . 0.0 110.998 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.484 ' CB ' ' O ' ' A' ' 75' ' ' LEU . 1.1 p -137.31 171.79 13.96 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.478 1.111 . . . . 0.0 110.493 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.867 ' CD1' ' CZ3' ' A' ' 80' ' ' TRP . 2.4 tt -109.8 133.25 55.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 O-C-N 124.454 1.096 . . . . 0.0 109.353 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.494 ' HA ' ' O ' ' A' ' 73' ' ' LEU . 5.7 mt-30 -115.05 77.94 1.12 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 110.31 -179.911 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.558 ' O ' ' HB3' ' A' ' 73' ' ' LEU . 0.5 OUTLIER -96.76 109.3 21.99 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.444 1.09 . . . . 0.0 109.325 -179.938 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.829 ' HA ' ' HA ' ' A' ' 72' ' ' GLU . 0.4 OUTLIER -112.87 131.35 55.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 109.261 -179.926 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.509 ' SG ' ' O ' ' A' ' 10' ' ' LYS . 0.1 OUTLIER -90.87 150.47 21.52 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.125 . . . . 0.0 108.351 179.844 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.544 ' O ' ' N ' ' A' ' 10' ' ' LYS . 4.2 mp -114.45 96.57 5.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.551 1.157 . . . . 0.0 109.343 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.938 HG13 ' O ' ' A' ' 32' ' ' VAL . 1.3 p -128.63 108.85 18.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.263 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.832 ' CB ' ' HA ' ' A' ' 68' ' ' SER . 6.4 p -148.66 178.99 8.17 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.462 1.101 . . . . 0.0 110.047 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.655 ' HA2' ' HB3' ' A' ' 66' ' ' LEU . . . 81.42 -46.14 3.37 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.513 1.133 . . . . 0.0 111.032 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.758 ' CE2' ' CG2' ' A' ' 32' ' ' VAL . 4.4 p90 -63.07 148.92 46.43 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.577 0.81 . . . . 0.0 111.036 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.784 ' O ' ' CB ' ' A' ' 67' ' ' ALA . 5.8 m 48.03 135.46 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.551 1.157 . . . . 0.0 110.426 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.41 ' C ' ' HB2' ' A' ' 67' ' ' ALA . 18.2 Cg_endo -75.18 -8.43 19.85 Favored 'Trans proline' 0 C--N 1.362 1.242 0 O-C-N 124.455 1.766 . . . . 0.0 110.948 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.597 ' O ' ' CB ' ' A' ' 39' ' ' THR . . . -127.24 6.48 7.2 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.539 1.15 . . . . 0.0 110.993 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.597 ' CB ' ' O ' ' A' ' 38' ' ' GLY . 0.5 OUTLIER 90.01 -167.97 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.552 0.795 . . . . 0.0 110.424 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.906 ' HB ' ' O ' ' A' ' 91' ' ' THR . 1.1 pt -135.26 -139.83 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.59 1.182 . . . . 0.0 109.328 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . 0.459 ' HB2' ' CG2' ' A' ' 91' ' ' THR . 2.2 m-20 -109.4 159.05 17.33 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.429 1.08 . . . . 0.0 109.314 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.555 ' CG2' ' CB ' ' A' ' 58' ' ' ALA . 13.6 mm -125.69 126.59 70.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.689 1.243 . . . . 0.0 109.281 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.48 ' C ' ' CD1' ' A' ' 44' ' ' TRP . 10.1 m -158.8 161.38 36.94 Favored 'General case' 0 C--N 1.323 -0.556 0 O-C-N 124.557 1.161 . . . . 0.0 110.408 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 1.027 ' CZ3' ' HB3' ' A' ' 88' ' ' CYS . 16.4 m95 -140.82 129.42 22.76 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 108.011 -1.107 . . . . 0.0 108.011 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -82.34 97.29 8.25 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.589 1.181 . . . . 0.0 109.255 -179.886 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.467 ' CD ' ' O ' ' A' ' 49' ' ' GLN . 5.2 tm-20 -97.67 125.27 42.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.381 1.05 . . . . 0.0 110.288 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.534 ' CB ' ' HB ' ' A' ' 85' ' ' THR . 0.2 OUTLIER -135.43 89.01 2.46 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.585 1.178 . . . . 0.0 109.293 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.494 ' O ' ' NH1' ' A' ' 84' ' ' ARG . . . 141.92 39.68 0.07 OUTLIER Glycine 0 CA--C 1.531 1.076 0 O-C-N 124.475 1.11 . . . . 0.0 110.968 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.483 ' CB ' ' O ' ' A' ' 48' ' ' GLY . 8.1 pt20 161.06 108.23 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.63 0.841 . . . . 0.0 110.24 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.52 ' CG1' ' N ' ' A' ' 51' ' ' MET . 1.4 p -60.85 -153.89 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.393 1.058 . . . . 0.0 109.351 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' MET . . . . . 0.52 ' N ' ' CG1' ' A' ' 50' ' ' VAL . 0.0 OUTLIER -66.76 54.75 0.04 OUTLIER 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.512 1.132 . . . . 0.0 111.051 179.951 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.48 ' N ' ' O ' ' A' ' 50' ' ' VAL . 1.0 OUTLIER -68.66 -146.38 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.571 1.169 . . . . 0.0 109.267 -179.973 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.675 ' CG1' ' O ' ' A' ' 53' ' ' VAL . 12.8 t -109.9 35.19 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.55 1.156 . . . . 0.0 109.318 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.471 ' HB3' ' HB2' ' A' ' 75' ' ' LEU . 9.9 m-20 -138.53 112.31 8.37 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.545 1.153 . . . . 0.0 109.355 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.68 ' CD2' ' N ' ' A' ' 56' ' ' SER . 0.0 OUTLIER -139.73 161.11 38.34 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.612 1.195 . . . . 0.0 109.271 -179.894 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.808 ' HB2' ' CE2' ' A' ' 44' ' ' TRP . 0.0 OUTLIER -123.79 132.49 53.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.538 1.149 . . . . 0.0 109.985 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' THR . . . . . 0.435 ' O ' ' N ' ' A' ' 72' ' ' GLU . 0.3 OUTLIER -134.91 158.36 44.48 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.492 1.12 . . . . 0.0 110.362 -179.883 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.807 ' CB ' ' HA ' ' A' ' 71' ' ' SER . . . -130.88 151.35 51.4 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.439 1.087 . . . . 0.0 109.257 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' SER . . . . . 0.502 ' O ' ' HA ' ' A' ' 69' ' ' THR . 0.3 OUTLIER -105.14 154.96 19.49 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.434 1.084 . . . . 0.0 110.04 179.93 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' THR . . . . . 0.547 ' CG2' ' CB ' ' A' ' 39' ' ' THR . 1.2 m -106.49 142.3 36.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 110.348 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' THR . . . . . 0.734 ' OG1' ' O ' ' A' ' 68' ' ' SER . 0.2 OUTLIER -142.73 156.4 45.01 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.569 1.168 . . . . 0.0 110.362 -179.864 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 11.2 tt0 -100.35 128.24 46.46 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.481 1.113 . . . . 0.0 110.331 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -126.13 62.21 1.26 Allowed 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.494 1.121 . . . . 0.0 110.101 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 74.5 -105.5 1.87 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.447 1.092 . . . . 0.0 110.95 179.852 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -101.21 0.28 37.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 0.782 . . . . 0.0 110.309 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.655 ' HB3' ' HA2' ' A' ' 34' ' ' GLY . 6.6 mt -111.93 177.88 4.5 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.576 1.172 . . . . 0.0 109.373 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.784 ' CB ' ' O ' ' A' ' 36' ' ' THR . . . -132.14 118.49 19.66 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.593 1.183 . . . . 0.0 109.252 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' SER . . . . . 0.832 ' HA ' ' CB ' ' A' ' 33' ' ' SER . 48.5 t -102.72 122.93 45.45 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 109.992 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' THR . . . . . 0.691 ' HB ' ' OH ' ' A' ' 35' ' ' TYR . 0.9 OUTLIER -126.9 120.36 29.01 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.503 1.127 . . . . 0.0 110.341 179.962 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . 0.524 ' O ' ' HA ' ' A' ' 58' ' ' ALA . 1.2 tt0 -98.69 124.29 43.42 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.457 1.098 . . . . 0.0 110.261 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.807 ' HA ' ' CB ' ' A' ' 58' ' ' ALA . 1.2 t -102.57 148.54 25.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.629 1.206 . . . . 0.0 110.01 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.829 ' HA ' ' HA ' ' A' ' 29' ' ' LEU . 51.7 tt0 -138.89 161.2 37.87 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.522 1.139 . . . . 0.0 110.303 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.567 ' HB2' ' HB3' ' A' ' 56' ' ' SER . 3.4 tp -140.68 139.01 34.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 0.0 109.232 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' THR . . . . . 0.422 ' HA ' ' O ' ' A' ' 26' ' ' ILE . 0.0 OUTLIER -135.99 114.33 11.62 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.487 1.117 . . . . 0.0 110.298 -179.915 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.6 ' CD2' ' CG2' ' A' ' 26' ' ' ILE . 0.1 OUTLIER -140.17 163.98 31.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.122 . . . . 0.0 109.245 179.965 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' SER . . . . . 0.515 ' O ' ' CD1' ' A' ' 75' ' ' LEU . 0.4 OUTLIER -86.18 144.16 27.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 110.0 -179.965 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 7.2 tp60 -62.14 -44.71 96.03 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.608 1.192 . . . . 0.0 110.358 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 46.1 tttt -51.88 -47.21 64.62 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.405 1.066 . . . . 0.0 109.234 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . 0.52 ' O ' ' NE ' ' A' ' 84' ' ' ARG . 40.1 m-70 -56.0 -42.71 76.82 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.106 . . . . 0.0 109.63 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' TRP . . . . . 0.867 ' CZ3' ' CD1' ' A' ' 26' ' ' ILE . 6.9 t-105 -59.01 -31.5 68.87 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -62.63 -39.93 95.4 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.461 1.1 . . . . 0.0 109.311 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' SER . . . . . 0.484 ' HB3' HH21 ' A' ' 84' ' ' ARG . 3.1 m -72.05 -1.39 14.57 Favored 'General case' 0 C--N 1.327 -0.403 0 O-C-N 124.444 1.09 . . . . 0.0 110.017 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . 0.644 ' CA ' ' HB2' ' A' ' 104' ' ' SER . 0.0 OUTLIER 66.63 145.44 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 0.0 109.267 -179.97 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . 0.689 ' HG3' ' CE2' ' A' ' 86' ' ' TYR . 0.0 OUTLIER -172.6 -173.87 1.08 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.524 1.14 . . . . 0.0 110.222 -179.899 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' THR . . . . . 0.534 ' HB ' ' CB ' ' A' ' 47' ' ' ASP . 2.8 m -127.45 97.16 4.78 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.575 1.172 . . . . 0.0 110.447 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . 0.81 ' CZ ' ' CZ3' ' A' ' 80' ' ' TRP . 0.1 OUTLIER -108.03 102.33 11.51 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 110.988 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' THR . . . . . 1.415 ' HA ' ' CB ' ' A' ' 100' ' ' SER . 1.8 m -127.59 144.67 51.05 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.554 1.159 . . . . 0.0 110.433 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' CYS . . . . . 1.027 ' HB3' ' CZ3' ' A' ' 44' ' ' TRP . 29.8 p -95.15 102.24 14.04 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.524 1.14 . . . . 0.0 108.239 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . 0.518 ' H ' ' HA ' ' A' ' 44' ' ' TRP . 0.6 OUTLIER -94.6 108.7 20.66 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.558 1.162 . . . . 0.0 110.284 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.598 HG11 ' CE1' ' A' ' 92' ' ' TYR . 3.0 t -98.62 136.99 27.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.431 1.082 . . . . 0.0 109.278 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' THR . . . . . 0.906 ' O ' ' HB ' ' A' ' 40' ' ' ILE . 0.9 OUTLIER -110.08 169.63 8.6 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.42 1.075 . . . . 0.0 110.439 179.966 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . 0.827 ' CD2' HG22 ' A' ' 40' ' ' ILE . 14.7 m-85 -144.68 157.13 44.32 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.387 1.054 . . . . 0.0 110.949 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . 0.44 ' CG ' HG23 ' A' ' 36' ' ' THR . 2.2 mt-30 -46.83 -26.09 0.89 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.546 1.154 . . . . 0.0 110.408 179.86 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -157.09 35.8 0.56 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.484 1.115 . . . . 0.0 111.063 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . 0.507 ' CA ' ' HB2' ' A' ' 92' ' ' TYR . 6.7 t60 -158.16 173.94 15.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 0.777 . . . . 0.0 109.57 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 5.7 t -160.37 165.01 31.97 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.433 1.083 . . . . 0.0 110.338 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . 0.693 ' CG ' HG12 ' A' ' 9' ' ' VAL . 8.5 t80 -176.32 161.11 2.22 Favored 'General case' 0 N--CA 1.451 -0.406 0 O-C-N 124.447 1.092 . . . . 0.0 111.007 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . 0.488 ' HG2' ' CG2' ' A' ' 87' ' ' THR . 29.6 tt0 -157.2 134.94 10.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 110.381 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . 0.581 ' HB2' ' CZ ' ' A' ' 97' ' ' PHE . 0.5 OUTLIER -156.76 129.66 7.78 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.492 1.12 . . . . 0.0 109.244 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' SER . . . . . 1.415 ' CB ' ' HA ' ' A' ' 87' ' ' THR . 0.6 OUTLIER -174.49 -146.03 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.517 1.136 . . . . 0.0 109.929 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' THR . . . . . 0.746 HG23 ' CE1' ' A' ' 86' ' ' TYR . 2.1 t -135.62 -175.59 4.0 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.529 1.143 . . . . 0.0 110.453 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . 0.573 ' HA ' ' CE1' ' A' ' 86' ' ' TYR . 0.0 OUTLIER -166.45 -159.21 0.36 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.309 1.006 . . . . 0.0 109.266 -179.967 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . 0.83 ' HG2' ' N ' ' A' ' 104' ' ' SER . 0.0 OUTLIER 60.61 -171.34 0.14 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.556 1.16 . . . . 0.0 109.246 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' SER . . . . . 0.83 ' N ' ' HG2' ' A' ' 103' ' ' LYS . 33.5 t -120.2 53.5 1.08 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 109.935 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . 0.659 ' N ' ' HE1' ' A' ' 80' ' ' TRP . . . . . . . . 0 C--N 1.327 -0.412 0 O-C-N 124.404 1.065 . . . . 0.0 109.379 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 20.3 p . . . . . 0 N--CA 1.452 -0.354 0 N-CA-C 109.988 -0.375 . . . . 0.0 109.988 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -76.26 91.97 3.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.39 1.056 . . . . 0.0 110.294 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . 0.432 ' O ' ' HB3' ' A' ' 4' ' ' PHE . 8.9 t70 -154.27 177.37 11.2 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.495 1.122 . . . . 0.0 109.302 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.559 ' CE1' ' HD3' ' A' ' 7' ' ' PRO . 0.0 OUTLIER 66.08 129.81 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.524 1.14 . . . . 0.0 110.943 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.544 ' O ' ' CE1' ' A' ' 4' ' ' PHE . 0.5 OUTLIER -87.32 169.45 14.43 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 110.388 179.959 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.503 ' HD2' ' OG1' ' A' ' 5' ' ' THR . 18.1 Cg_endo -75.07 117.53 4.93 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.5 1.79 . . . . 0.0 111.004 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.598 ' HA ' ' HB3' ' A' ' 35' ' ' TYR . 18.5 Cg_endo -74.98 151.41 39.57 Favored 'Trans proline' 0 C--N 1.361 1.218 0 O-C-N 124.39 1.732 . . . . 0.0 110.982 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.493 ' O ' HG23 ' A' ' 32' ' ' VAL . 1.8 t -147.81 139.03 23.54 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.57 1.169 . . . . 0.0 110.458 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.53 HG11 ' CD1' ' A' ' 97' ' ' PHE . 3.1 p -134.05 147.5 30.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 0.0 109.285 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.517 ' N ' ' O ' ' A' ' 31' ' ' LEU . 12.3 mtpt -134.76 164.88 26.55 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.53 1.144 . . . . 0.0 109.282 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.504 HG13 ' N ' ' A' ' 100' ' ' SER . 0.4 OUTLIER -131.41 122.63 51.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.542 1.151 . . . . 0.0 109.218 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.52 ' CD1' ' CD1' ' A' ' 31' ' ' LEU . 40.6 mt -127.68 129.3 46.92 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.529 1.143 . . . . 0.0 109.294 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -105.23 138.82 40.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.542 1.151 . . . . 0.0 110.253 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.472 ' HB3' ' CB ' ' A' ' 27' ' ' GLN . 0.1 OUTLIER -132.91 73.76 1.54 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.538 1.149 . . . . 0.0 110.017 179.901 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 80.9 p -125.09 118.78 26.9 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.441 1.088 . . . . 0.0 110.029 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.423 ' O ' ' C ' ' A' ' 17' ' ' ASP . 25.0 p -163.69 141.98 7.67 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.495 1.122 . . . . 0.0 110.045 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.423 ' C ' ' O ' ' A' ' 16' ' ' SER . 0.0 OUTLIER -38.6 150.7 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 0.0 109.294 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 160.09 136.84 2.1 Favored Glycine 0 CA--C 1.529 0.914 0 O-C-N 124.41 1.069 . . . . 0.0 111.124 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 122.12 -145.05 16.53 Favored Glycine 0 CA--C 1.531 1.059 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 177.48 -74.65 0.07 OUTLIER Glycine 0 CA--C 1.531 1.092 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 2.8 t-160 -76.27 -62.73 1.52 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.486 0.756 . . . . 0.0 109.469 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.502 ' CG ' ' HD2' ' A' ' 23' ' ' PRO . 0.7 OUTLIER -66.07 152.93 92.94 Favored Pre-proline 0 C--N 1.324 -0.537 0 O-C-N 124.505 1.128 . . . . 0.0 110.947 -179.974 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . 0.502 ' HD2' ' CG ' ' A' ' 22' ' ' PHE . 18.3 Cg_endo -74.94 152.22 40.81 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.471 1.774 . . . . 0.0 110.984 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.443 ' HD2' ' NE2' ' A' ' 77' ' ' GLN . 18.2 Cg_endo -74.97 164.62 33.02 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.481 1.779 . . . . 0.0 111.018 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.498 ' OG1' ' N ' ' A' ' 26' ' ' ILE . 0.2 OUTLIER -142.55 174.56 10.52 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.385 1.053 . . . . 0.0 110.396 -179.978 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.757 ' CD1' ' CZ3' ' A' ' 80' ' ' TRP . 0.6 OUTLIER -107.82 135.75 45.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.578 1.174 . . . . 0.0 109.329 179.905 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.51 ' HA ' ' O ' ' A' ' 73' ' ' LEU . 2.1 mt-30 -118.28 78.99 1.31 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 110.346 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.511 ' O ' ' N ' ' A' ' 73' ' ' LEU . 1.5 mt -96.98 107.95 20.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.277 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.68 ' HA ' ' HA ' ' A' ' 72' ' ' GLU . 0.4 OUTLIER -115.12 129.63 56.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.14 . . . . 0.0 109.313 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.546 ' HB2' ' HB2' ' A' ' 71' ' ' SER . 87.9 m -91.22 167.89 12.0 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.656 1.223 . . . . 0.0 108.281 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.52 ' CD1' ' CD1' ' A' ' 12' ' ' LEU . 4.9 mp -127.64 94.88 4.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.13 . . . . 0.0 109.311 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.818 HG13 ' O ' ' A' ' 32' ' ' VAL . 2.5 p -122.13 119.5 58.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.604 1.19 . . . . 0.0 109.3 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.903 ' CB ' ' HA ' ' A' ' 68' ' ' SER . 12.6 p -156.04 -177.33 6.5 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.555 1.16 . . . . 0.0 109.978 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.532 ' HA2' ' CD2' ' A' ' 66' ' ' LEU . . . 80.56 -45.91 3.18 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.411 1.069 . . . . 0.0 110.934 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.74 ' CD1' HD11 ' A' ' 40' ' ' ILE . 4.2 p90 -63.4 152.6 37.72 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.629 0.84 . . . . 0.0 111.028 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.685 ' O ' ' CB ' ' A' ' 67' ' ' ALA . 4.0 m 50.65 144.31 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 110.389 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.483 ' C ' ' HB2' ' A' ' 67' ' ' ALA . 18.5 Cg_endo -74.89 -13.23 21.72 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.488 1.783 . . . . 0.0 111.077 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.556 ' O ' ' CB ' ' A' ' 39' ' ' THR . . . -123.95 -52.08 0.2 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.56 1.162 . . . . 0.0 110.993 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.572 ' CG2' ' N ' ' A' ' 40' ' ' ILE . 0.9 OUTLIER 162.12 173.06 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.56 0 O-C-N 124.567 0.804 . . . . 0.0 110.424 -179.956 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.906 ' HB ' ' O ' ' A' ' 91' ' ' THR . 1.3 pt -117.05 -139.51 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 O-C-N 124.465 1.103 . . . . 0.0 109.245 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . 0.507 ' HB3' ' CG2' ' A' ' 91' ' ' THR . 10.1 t-20 -113.66 152.31 30.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.585 1.178 . . . . 0.0 109.242 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.566 ' CG2' ' CB ' ' A' ' 58' ' ' ALA . 3.6 mt -122.24 118.51 55.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.1 . . . . 0.0 109.338 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.501 ' C ' ' CD1' ' A' ' 44' ' ' TRP . 3.2 m -149.25 161.41 42.07 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.453 1.095 . . . . 0.0 110.488 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 1.026 ' CZ3' ' HB3' ' A' ' 88' ' ' CYS . 13.2 m95 -141.55 130.27 22.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.571 1.169 . . . . 0.0 108.016 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -100.54 118.21 36.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.552 1.157 . . . . 0.0 109.27 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.438 ' CG ' HG11 ' A' ' 50' ' ' VAL . 0.8 OUTLIER -99.51 155.85 17.35 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.527 1.142 . . . . 0.0 110.378 179.915 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.487 ' HB3' ' CG2' ' A' ' 85' ' ' THR . 0.3 OUTLIER -149.7 101.44 3.07 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.463 1.102 . . . . 0.0 109.301 -179.906 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.479 ' O ' ' NH1' ' A' ' 84' ' ' ARG . . . 155.32 41.63 0.02 OUTLIER Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.483 1.114 . . . . 0.0 110.9 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.45 ' C ' ' O ' ' A' ' 48' ' ' GLY . 1.7 mt-30 35.42 56.06 0.85 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.557 0.798 . . . . 0.0 110.269 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.438 HG11 ' CG ' ' A' ' 46' ' ' GLU . 4.5 p -87.41 132.11 33.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.461 1.101 . . . . 0.0 109.28 179.871 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' MET . . . . . 0.456 ' O ' ' N ' ' A' ' 53' ' ' VAL . 0.7 OUTLIER -69.71 152.8 44.24 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.488 1.118 . . . . 0.0 111.026 179.941 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -66.56 71.61 0.08 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.548 1.155 . . . . 0.0 109.32 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.456 ' N ' ' O ' ' A' ' 51' ' ' MET . 19.6 m -128.92 -45.39 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 O-C-N 124.513 1.133 . . . . 0.0 109.355 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.564 ' CB ' ' HB2' ' A' ' 75' ' ' LEU . 8.7 p-10 -96.54 129.86 43.83 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.465 1.103 . . . . 0.0 109.335 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.667 ' CD2' ' N ' ' A' ' 56' ' ' SER . 0.0 OUTLIER -137.9 155.07 49.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.422 1.077 . . . . 0.0 109.261 179.956 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.873 ' HB2' ' CE2' ' A' ' 44' ' ' TRP . 0.1 OUTLIER -125.06 129.16 49.7 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.559 1.162 . . . . 0.0 109.938 -179.868 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' THR . . . . . 0.482 ' O ' ' N ' ' A' ' 72' ' ' GLU . 0.3 OUTLIER -131.78 160.16 36.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.55 1.156 . . . . 0.0 110.358 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.789 ' CB ' ' HA ' ' A' ' 71' ' ' SER . . . -129.82 156.0 45.07 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.43 1.081 . . . . 0.0 109.393 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' SER . . . . . 0.516 ' N ' ' O ' ' A' ' 70' ' ' GLN . 1.3 t -104.83 169.49 8.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.612 1.195 . . . . 0.0 109.967 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' THR . . . . . 0.506 HG21 ' CB ' ' A' ' 39' ' ' THR . 1.9 m -106.85 145.54 32.03 Favored 'General case' 0 C--N 1.326 -0.413 0 O-C-N 124.515 1.134 . . . . 0.0 110.382 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' THR . . . . . 0.517 ' OG1' ' CB ' ' A' ' 68' ' ' SER . 0.6 OUTLIER -138.44 156.25 47.74 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.501 1.126 . . . . 0.0 110.389 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -118.26 133.21 56.08 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.38 1.05 . . . . 0.0 110.312 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -138.07 63.24 1.54 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.567 1.167 . . . . 0.0 110.371 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 71.57 -106.67 1.96 Allowed Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.52 1.137 . . . . 0.0 110.977 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -95.97 -1.64 48.66 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.495 0.762 . . . . 0.0 110.333 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.532 ' CD2' ' HA2' ' A' ' 34' ' ' GLY . 2.6 mp -105.86 166.29 10.58 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.371 1.044 . . . . 0.0 109.395 179.853 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.685 ' CB ' ' O ' ' A' ' 36' ' ' THR . . . -133.17 118.99 19.32 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.46 1.1 . . . . 0.0 109.237 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' SER . . . . . 0.903 ' HA ' ' CB ' ' A' ' 33' ' ' SER . 9.4 t -95.66 176.22 6.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.41 1.069 . . . . 0.0 110.081 179.885 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' THR . . . . . 0.73 ' HB ' ' OH ' ' A' ' 35' ' ' TYR . 1.1 m -169.53 119.68 0.67 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.13 . . . . 0.0 110.317 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . 0.599 ' O ' ' HA ' ' A' ' 58' ' ' ALA . 37.0 tt0 -95.66 111.79 23.65 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.427 1.08 . . . . 0.0 110.307 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.789 ' HA ' ' CB ' ' A' ' 58' ' ' ALA . 0.1 OUTLIER -94.63 139.61 30.97 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.495 1.122 . . . . 0.0 110.053 179.953 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.68 ' HA ' ' HA ' ' A' ' 29' ' ' LEU . 0.4 OUTLIER -135.64 155.67 50.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.378 1.049 . . . . 0.0 110.387 -179.965 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.618 ' CB ' ' HB3' ' A' ' 56' ' ' SER . 9.7 tt -137.28 138.7 40.32 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.58 1.175 . . . . 0.0 109.326 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' THR . . . . . 0.49 ' HA ' ' O ' ' A' ' 26' ' ' ILE . 0.0 OUTLIER -136.05 118.28 15.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 110.365 -179.942 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.665 HD22 ' CE2' ' A' ' 86' ' ' TYR . 0.3 OUTLIER -143.43 163.84 31.96 Favored 'General case' 0 N--CA 1.45 -0.432 0 O-C-N 124.459 1.099 . . . . 0.0 109.292 179.97 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' SER . . . . . 0.489 ' O ' ' CD1' ' A' ' 75' ' ' LEU . 22.8 t -85.38 131.75 34.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 109.958 -179.908 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . 0.455 ' N ' HE21 ' A' ' 77' ' ' GLN . 0.0 OUTLIER -53.65 -30.01 41.03 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.513 1.133 . . . . 0.0 110.245 -179.973 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 7.7 tttt -53.95 -54.67 35.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.248 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 1.3 m170 -56.59 -37.77 71.09 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.479 1.112 . . . . 0.0 109.578 -179.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' TRP . . . . . 0.932 ' CD1' ' HXT' ' A' ' 105' ' ' ALA . 27.9 t-105 -61.18 -36.41 79.78 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 108.008 -1.108 . . . . 0.0 108.008 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -68.2 -35.78 78.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.427 1.079 . . . . 0.0 109.297 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' SER . . . . . 0.906 ' HG ' HH21 ' A' ' 84' ' ' ARG . 21.1 t -77.6 7.97 4.95 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.517 1.135 . . . . 0.0 110.008 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . 0.64 ' CB ' ' HA ' ' A' ' 104' ' ' SER . 0.5 OUTLIER 69.36 147.38 0.06 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.496 1.122 . . . . 0.0 109.275 179.953 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . 0.906 HH21 ' HG ' ' A' ' 82' ' ' SER . 0.0 OUTLIER -178.64 175.29 1.1 Allowed 'General case' 0 C--N 1.327 -0.403 0 O-C-N 124.454 1.096 . . . . 0.0 110.338 -179.938 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' THR . . . . . 0.487 ' CG2' ' HB3' ' A' ' 47' ' ' ASP . 0.9 OUTLIER -135.8 110.29 8.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.13 . . . . 0.0 110.407 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . 0.906 ' CE1' ' CZ3' ' A' ' 80' ' ' TRP . 0.0 OUTLIER -108.91 137.15 47.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.549 1.155 . . . . 0.0 111.041 179.982 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' THR . . . . . 1.18 ' HA ' ' CB ' ' A' ' 100' ' ' SER . 0.2 OUTLIER -149.23 124.58 10.24 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.456 1.097 . . . . 0.0 110.323 -179.928 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' CYS . . . . . 1.026 ' HB3' ' CZ3' ' A' ' 44' ' ' TRP . 5.0 p -84.43 99.09 10.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.641 1.213 . . . . 0.0 108.304 179.9 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . 0.47 ' CA ' ' HG3' ' A' ' 98' ' ' GLU . 11.0 tt0 -88.64 101.84 14.37 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.42 1.075 . . . . 0.0 110.312 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.599 HG13 ' CE1' ' A' ' 92' ' ' TYR . 2.7 t -93.75 125.44 46.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.438 1.086 . . . . 0.0 109.317 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' THR . . . . . 0.906 ' O ' ' HB ' ' A' ' 40' ' ' ILE . 0.4 OUTLIER -98.78 170.18 8.95 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.574 1.172 . . . . 0.0 110.384 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . 0.781 ' CD2' HG21 ' A' ' 40' ' ' ILE . 7.9 m-85 -145.65 157.11 44.0 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.566 1.166 . . . . 0.0 111.007 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 1.5 pp0? -46.98 -24.44 0.61 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.414 1.071 . . . . 0.0 110.3 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -158.52 36.16 0.51 Allowed Glycine 0 CA--C 1.531 1.073 0 O-C-N 124.484 1.115 . . . . 0.0 111.062 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . 0.509 ' CA ' ' HB2' ' A' ' 92' ' ' TYR . 3.6 t60 -161.11 176.44 11.31 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.564 0.803 . . . . 0.0 109.731 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 6.0 t -158.22 165.75 34.1 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.46 1.1 . . . . 0.0 110.43 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . 0.53 ' CD1' HG11 ' A' ' 9' ' ' VAL . 0.3 OUTLIER -168.31 165.71 12.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.437 1.086 . . . . 0.0 110.999 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . 0.488 ' HG2' ' CG2' ' A' ' 87' ' ' THR . 17.5 tt0 -160.41 125.57 3.87 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.525 1.141 . . . . 0.0 110.164 -179.885 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . 0.595 ' O ' ' SG ' ' A' ' 88' ' ' CYS . 18.5 m-20 -155.4 129.23 8.62 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.501 1.126 . . . . 0.0 109.291 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' SER . . . . . 1.18 ' CB ' ' HA ' ' A' ' 87' ' ' THR . 41.0 t -164.59 -139.88 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 0.0 110.04 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' THR . . . . . 0.476 ' N ' ' OG ' ' A' ' 100' ' ' SER . 9.0 t -134.36 173.01 12.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 110.413 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . 0.437 ' O ' ' HG2' ' A' ' 103' ' ' LYS . 0.0 OUTLIER -167.81 128.07 1.37 Allowed 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.484 1.115 . . . . 0.0 109.291 -179.947 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . 0.437 ' HG2' ' O ' ' A' ' 102' ' ' LYS . 2.6 mmtt -151.26 -164.85 2.1 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.481 1.113 . . . . 0.0 109.317 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' SER . . . . . 0.64 ' HA ' ' CB ' ' A' ' 83' ' ' ASP . 9.2 t -137.95 13.1 2.89 Favored 'General case' 0 C--N 1.327 -0.397 0 O-C-N 124.486 1.116 . . . . 0.0 109.953 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . 0.932 ' HXT' ' CD1' ' A' ' 80' ' ' TRP . . . . . . . . 0 C--N 1.323 -0.573 0 O-C-N 124.499 1.124 . . . . 0.0 109.365 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.956 -0.387 . . . . 0.0 109.956 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.34 -86.88 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.429 1.081 . . . . 0.0 110.331 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . 0.507 ' O ' ' O ' ' A' ' 4' ' ' PHE . 42.6 t0 -170.58 52.75 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.5 1.125 . . . . 0.0 109.273 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.507 ' O ' ' O ' ' A' ' 3' ' ' ASP . 98.0 m-85 56.61 139.64 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.494 1.121 . . . . 0.0 110.939 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.49 ' CG2' ' HD2' ' A' ' 6' ' ' PRO . 0.2 OUTLIER -84.93 159.66 56.94 Favored Pre-proline 0 C--N 1.323 -0.553 0 O-C-N 124.646 1.216 . . . . 0.0 110.528 179.84 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.49 ' HD2' ' CG2' ' A' ' 5' ' ' THR . 18.2 Cg_endo -75.05 111.71 3.39 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.478 1.778 . . . . 0.0 111.005 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.58 ' HA ' ' HB3' ' A' ' 35' ' ' TYR . 18.4 Cg_endo -74.99 146.45 32.7 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.584 1.834 . . . . 0.0 111.056 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.492 ' O ' ' HA ' ' A' ' 32' ' ' VAL . 0.0 OUTLIER -155.58 131.09 9.69 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.554 1.159 . . . . 0.0 110.437 179.945 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.568 ' CG2' HG23 ' A' ' 32' ' ' VAL . 2.6 p -132.16 141.59 44.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 109.297 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.509 ' N ' ' O ' ' A' ' 31' ' ' LEU . 2.7 mptt -136.02 159.91 40.25 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.487 1.117 . . . . 0.0 109.237 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.506 HG13 ' HA ' ' A' ' 100' ' ' SER . 0.1 OUTLIER -132.71 116.27 26.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 109.379 179.916 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.532 HD13 ' CD2' ' A' ' 31' ' ' LEU . 80.8 mt -122.86 133.58 54.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.564 1.165 . . . . 0.0 109.227 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.497 ' HB3' ' CD2' ' A' ' 28' ' ' LEU . 0.0 OUTLIER -105.6 145.23 31.26 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.505 1.128 . . . . 0.0 110.278 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.456 ' HB3' ' CB ' ' A' ' 27' ' ' GLN . 0.1 OUTLIER -133.15 76.8 1.7 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.571 1.169 . . . . 0.0 110.017 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 25.9 t -123.9 44.82 2.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 110.042 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.436 ' O ' ' C ' ' A' ' 17' ' ' ASP . 98.2 p -82.28 128.93 34.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 110.013 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.436 ' C ' ' O ' ' A' ' 16' ' ' SER . 0.0 OUTLIER -37.01 133.77 0.59 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.544 1.153 . . . . 0.0 109.333 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -156.39 -130.9 1.31 Allowed Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.396 1.06 . . . . 0.0 111.002 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -175.66 95.14 0.1 Allowed Glycine 0 CA--C 1.531 1.041 0 N-CA-C 110.961 -0.856 . . . . 0.0 110.961 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.53 ' O ' ' CB ' ' A' ' 21' ' ' HIS . . . -114.12 60.57 0.37 Allowed Glycine 0 CA--C 1.529 0.954 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . 0.85 ' O ' ' CB ' ' A' ' 22' ' ' PHE . 8.5 t60 90.41 1.76 0.18 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.523 0.778 . . . . 0.0 109.668 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.85 ' CB ' ' O ' ' A' ' 21' ' ' HIS . 21.3 t80 107.66 -42.94 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 0.0 110.972 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . 0.734 ' CD ' ' C ' ' A' ' 21' ' ' HIS . 18.1 Cg_endo -75.05 114.27 3.98 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.465 1.771 . . . . 0.0 110.972 -179.908 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.424 ' C ' ' HB2' ' A' ' 77' ' ' GLN . 17.7 Cg_endo -75.21 151.27 38.39 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.551 1.816 . . . . 0.0 110.902 -179.88 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.433 ' CB ' ' O ' ' A' ' 75' ' ' LEU . 2.1 p -139.67 -168.67 2.54 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.528 1.142 . . . . 0.0 110.389 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.711 ' CD1' ' CZ3' ' A' ' 80' ' ' TRP . 0.0 OUTLIER -132.23 133.52 60.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.624 1.202 . . . . 0.0 109.198 -179.965 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.519 ' HA ' ' O ' ' A' ' 73' ' ' LEU . 0.0 OUTLIER -117.58 84.28 2.13 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.518 1.136 . . . . 0.0 110.282 179.861 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.537 ' O ' ' HB3' ' A' ' 73' ' ' LEU . 0.2 OUTLIER -100.74 108.48 20.33 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.445 1.091 . . . . 0.0 109.301 179.962 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.778 ' HA ' ' HA ' ' A' ' 72' ' ' GLU . 0.4 OUTLIER -111.73 129.17 56.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.646 1.216 . . . . 0.0 109.318 179.958 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.452 ' CB ' ' HB2' ' A' ' 71' ' ' SER . 0.1 OUTLIER -91.11 142.5 27.68 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.489 1.118 . . . . 0.0 108.325 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.532 ' CD2' HD13 ' A' ' 12' ' ' LEU . 0.0 OUTLIER -112.08 98.25 7.21 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.58 1.175 . . . . 0.0 109.323 179.89 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.701 ' CG2' ' HE2' ' A' ' 35' ' ' TYR . 2.7 p -128.45 120.07 51.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.524 1.14 . . . . 0.0 109.367 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.901 ' CB ' ' HA ' ' A' ' 68' ' ' SER . 10.8 p -156.48 178.8 9.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.459 1.1 . . . . 0.0 110.013 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.437 ' O ' ' HB ' ' A' ' 5' ' ' THR . . . 84.82 -44.29 3.35 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.527 1.142 . . . . 0.0 110.969 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.726 ' CD1' HD13 ' A' ' 40' ' ' ILE . 4.9 p90 -65.69 155.76 35.02 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.486 0.757 . . . . 0.0 110.923 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.707 ' O ' ' O ' ' A' ' 35' ' ' TYR . 3.6 m 48.83 144.17 0.01 OUTLIER Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.392 1.058 . . . . 0.0 110.378 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.505 ' C ' ' HB1' ' A' ' 67' ' ' ALA . 18.6 Cg_endo -75.0 -12.78 21.52 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.443 1.76 . . . . 0.0 110.935 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.57 ' O ' ' CB ' ' A' ' 39' ' ' THR . . . -124.94 -51.88 0.18 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.4 1.062 . . . . 0.0 110.999 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.57 ' CB ' ' O ' ' A' ' 38' ' ' GLY . 0.9 OUTLIER 161.26 172.21 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.511 0.771 . . . . 0.0 110.418 179.975 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.962 ' HB ' ' O ' ' A' ' 91' ' ' THR . 1.3 pt -116.45 -142.59 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.531 1.144 . . . . 0.0 109.344 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . 0.479 ' OD1' ' N ' ' A' ' 41' ' ' ASN . 0.0 OUTLIER -112.12 128.31 56.18 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.541 1.15 . . . . 0.0 109.36 179.959 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.584 ' N ' ' CD1' ' A' ' 42' ' ' ILE . 0.5 OUTLIER -106.19 117.28 51.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.57 1.169 . . . . 0.0 109.236 -179.935 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.481 ' C ' ' CD1' ' A' ' 44' ' ' TRP . 8.8 t -149.42 166.54 28.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 110.398 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 1.009 ' CZ3' ' HB3' ' A' ' 88' ' ' CYS . 11.4 m95 -139.49 128.59 23.77 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 0.0 108.007 179.888 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 10.0 tp -88.5 111.6 22.02 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.471 1.107 . . . . 0.0 109.25 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -100.94 142.96 31.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 110.359 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.524 ' CB ' ' HB ' ' A' ' 85' ' ' THR . 0.1 OUTLIER -142.01 101.97 4.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.616 1.197 . . . . 0.0 109.298 -179.96 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.443 ' O ' ' HB2' ' A' ' 49' ' ' GLN . . . 147.09 -26.07 1.58 Allowed Glycine 0 CA--C 1.529 0.927 0 O-C-N 124.521 1.138 . . . . 0.0 111.102 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.443 ' HB2' ' O ' ' A' ' 48' ' ' GLY . 7.8 tp60 174.82 86.48 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.412 0.713 . . . . 0.0 110.241 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 4.5 p -85.21 41.51 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 O-C-N 124.616 1.197 . . . . 0.0 109.286 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' MET . . . . . 0.485 ' O ' ' N ' ' A' ' 53' ' ' VAL . 0.0 OUTLIER -91.0 167.98 11.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.411 1.069 . . . . 0.0 110.921 -179.931 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -66.21 69.88 0.06 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.44 1.087 . . . . 0.0 109.329 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.524 ' CG2' ' N ' ' A' ' 54' ' ' ASP . 0.7 OUTLIER -131.02 -96.39 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.384 1.052 . . . . 0.0 109.358 179.929 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.568 ' HB2' ' CB ' ' A' ' 75' ' ' LEU . 2.6 p30 -91.98 124.49 36.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.308 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.671 ' CD2' ' N ' ' A' ' 56' ' ' SER . 0.0 OUTLIER -138.34 159.72 41.34 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.54 1.15 . . . . 0.0 109.369 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.891 ' HB2' ' CE2' ' A' ' 44' ' ' TRP . 0.0 OUTLIER -125.64 134.46 51.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 109.937 -179.943 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -132.48 153.75 50.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.448 1.093 . . . . 0.0 110.341 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.778 ' CB ' ' HA ' ' A' ' 71' ' ' SER . . . -134.94 151.81 51.18 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.487 1.117 . . . . 0.0 109.29 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' SER . . . . . 0.574 ' O ' ' HA ' ' A' ' 69' ' ' THR . 0.6 OUTLIER -109.72 161.44 15.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 109.996 -179.946 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 2.2 t -104.13 146.59 28.52 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.507 1.129 . . . . 0.0 110.416 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -139.56 160.83 38.94 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.505 1.128 . . . . 0.0 110.397 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 3.0 mp0 -107.84 130.68 54.97 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.54 1.15 . . . . 0.0 110.272 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.498 ' O ' ' CD1' ' A' ' 66' ' ' LEU . 20.5 mt-10 -130.68 64.42 1.56 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 110.338 179.898 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 71.31 -107.16 2.08 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.608 1.193 . . . . 0.0 111.011 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -95.84 -2.99 46.33 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.531 0.783 . . . . 0.0 110.37 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.498 ' CD1' ' O ' ' A' ' 63' ' ' GLU . 0.0 OUTLIER -110.0 174.27 5.94 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.112 . . . . 0.0 109.299 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.685 ' CB ' ' O ' ' A' ' 36' ' ' THR . . . -136.05 120.31 17.87 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.497 1.123 . . . . 0.0 109.323 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' SER . . . . . 0.901 ' HA ' ' CB ' ' A' ' 33' ' ' SER . 11.6 t -92.7 175.65 6.73 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.456 1.097 . . . . 0.0 110.005 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' THR . . . . . 0.693 ' HB ' ' OH ' ' A' ' 35' ' ' TYR . 1.2 m -170.12 117.66 0.56 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 110.38 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . 0.607 ' O ' ' HA ' ' A' ' 58' ' ' ALA . 0.1 OUTLIER -99.4 120.32 39.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 110.329 179.902 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.778 ' HA ' ' CB ' ' A' ' 58' ' ' ALA . 1.9 m -109.71 145.94 35.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.424 1.077 . . . . 0.0 109.953 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.778 ' HA ' ' HA ' ' A' ' 29' ' ' LEU . 20.6 tt0 -136.87 160.97 37.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.398 1.061 . . . . 0.0 110.31 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.618 ' HB2' ' HB3' ' A' ' 56' ' ' SER . 6.4 tp -138.65 140.46 38.87 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.513 1.133 . . . . 0.0 109.313 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -136.85 115.6 12.14 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.408 1.068 . . . . 0.0 110.491 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.568 ' CB ' ' HB2' ' A' ' 54' ' ' ASP . 0.4 OUTLIER -141.91 157.0 45.49 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.453 1.096 . . . . 0.0 109.282 -179.918 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' SER . . . . . 0.541 ' O ' ' CD1' ' A' ' 75' ' ' LEU . 39.1 t -86.48 137.22 32.7 Favored 'General case' 0 C--N 1.323 -0.583 0 O-C-N 124.523 1.14 . . . . 0.0 110.06 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . 0.424 ' HB2' ' C ' ' A' ' 24' ' ' PRO . 4.4 tm0? -52.79 -33.06 47.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.435 1.085 . . . . 0.0 110.308 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -53.52 -52.18 60.45 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.53 1.144 . . . . 0.0 109.316 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 2.9 m80 -58.3 -37.13 74.45 Favored 'General case' 0 C--N 1.327 -0.4 0 O-C-N 124.533 1.146 . . . . 0.0 109.563 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' TRP . . . . . 0.897 ' CZ3' ' CE1' ' A' ' 86' ' ' TYR . 36.7 t-105 -59.64 -44.75 93.38 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.587 1.179 . . . . 0.0 108.089 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -70.02 -31.34 68.94 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.513 1.133 . . . . 0.0 109.322 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' SER . . . . . 0.774 ' HB3' HH21 ' A' ' 84' ' ' ARG . 48.4 t -78.18 9.28 3.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.427 1.079 . . . . 0.0 110.004 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . 0.54 ' HB2' ' CB ' ' A' ' 104' ' ' SER . 0.2 OUTLIER 68.4 147.18 0.05 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.476 1.11 . . . . 0.0 109.237 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . 0.774 HH21 ' HB3' ' A' ' 82' ' ' SER . 0.1 OUTLIER 178.34 175.8 0.53 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.447 1.092 . . . . 0.0 110.267 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' THR . . . . . 0.524 ' HB ' ' CB ' ' A' ' 47' ' ' ASP . 0.9 OUTLIER -136.92 102.26 4.82 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.529 1.143 . . . . 0.0 110.451 179.938 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . 0.897 ' CE1' ' CZ3' ' A' ' 80' ' ' TRP . 0.0 OUTLIER -108.31 123.89 49.5 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.482 1.114 . . . . 0.0 110.993 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' THR . . . . . 1.449 ' HA ' ' CB ' ' A' ' 100' ' ' SER . 50.6 m -144.5 131.82 20.76 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.434 1.084 . . . . 0.0 110.413 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' CYS . . . . . 1.009 ' HB3' ' CZ3' ' A' ' 44' ' ' TRP . 13.5 p -89.5 100.22 13.06 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 0.0 108.386 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . 0.516 ' HB2' ' CG ' ' A' ' 98' ' ' GLU . 34.6 tt0 -91.47 109.07 20.35 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.594 1.184 . . . . 0.0 110.358 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.601 HG13 ' CE1' ' A' ' 92' ' ' TYR . 2.8 t -100.87 124.86 54.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.53 1.144 . . . . 0.0 109.364 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' THR . . . . . 0.962 ' O ' ' HB ' ' A' ' 40' ' ' ILE . 5.7 m -105.37 165.69 10.95 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.493 1.121 . . . . 0.0 110.415 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . 0.724 ' CD2' HG21 ' A' ' 40' ' ' ILE . 3.1 m-85 -140.55 156.59 46.26 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.47 1.106 . . . . 0.0 110.881 -179.896 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 1.1 pt20 -50.48 -20.98 1.29 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.643 1.214 . . . . 0.0 110.332 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -157.23 34.54 0.55 Allowed Glycine 0 CA--C 1.532 1.105 0 O-C-N 124.45 1.094 . . . . 0.0 110.923 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . 0.514 ' CA ' ' HB2' ' A' ' 92' ' ' TYR . 4.5 t60 -162.0 178.25 9.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.554 0.797 . . . . 0.0 109.576 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 5.3 t -160.12 166.2 30.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.565 1.166 . . . . 0.0 110.401 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . 0.416 ' HD2' ' CE1' ' A' ' 92' ' ' TYR . 4.3 m-85 -165.56 160.53 17.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 110.933 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . 0.516 ' CG ' ' HB2' ' A' ' 89' ' ' GLN . 1.1 tt0 -158.78 119.77 3.34 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.37 1.044 . . . . 0.0 110.303 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . 0.49 ' O ' ' SG ' ' A' ' 88' ' ' CYS . 7.0 m-20 -151.52 127.5 10.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.105 . . . . 0.0 109.271 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' SER . . . . . 1.449 ' CB ' ' HA ' ' A' ' 87' ' ' THR . 2.0 t -171.23 -150.77 0.07 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.561 1.163 . . . . 0.0 109.99 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' THR . . . . . 0.513 HG23 ' CE1' ' A' ' 86' ' ' TYR . 10.0 t -136.28 175.52 9.53 Favored 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.37 1.044 . . . . 0.0 110.446 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -170.92 155.73 4.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 0.0 109.332 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . 0.638 ' O ' ' N ' ' A' ' 105' ' ' ALA . 0.0 OUTLIER -148.28 156.77 42.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.535 1.147 . . . . 0.0 109.344 179.92 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' SER . . . . . 0.552 ' N ' ' HG3' ' A' ' 103' ' ' LYS . 5.8 t 30.39 33.17 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.945 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . 0.638 ' N ' ' O ' ' A' ' 103' ' ' LYS . . . . . . . . 0 C--N 1.323 -0.552 0 O-C-N 124.582 1.176 . . . . 0.0 109.207 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' SER . . . . . 0.499 ' O ' ' CB ' ' A' ' 2' ' ' ARG . 8.0 p . . . . . 0 N--CA 1.452 -0.35 0 N-CA-C 109.991 -0.374 . . . . 0.0 109.991 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . 0.499 ' CB ' ' O ' ' A' ' 1' ' ' SER . 3.0 ttt85 83.69 -148.63 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.567 0 O-C-N 124.524 1.14 . . . . 0.0 110.322 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . 0.526 ' C ' ' CG ' ' A' ' 4' ' ' PHE . 32.6 t0 -153.33 173.03 16.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.46 1.1 . . . . 0.0 109.308 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.526 ' CG ' ' C ' ' A' ' 3' ' ' ASP . 1.6 m-85 74.35 156.85 0.18 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.127 . . . . 0.0 110.98 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.471 ' CG2' ' HG ' ' A' ' 66' ' ' LEU . 0.1 OUTLIER -86.47 179.52 1.78 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 110.427 179.961 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.444 ' CD ' ' CB ' ' A' ' 5' ' ' THR . 18.5 Cg_endo -74.87 113.27 3.75 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.524 1.802 . . . . 0.0 111.078 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.558 ' HA ' ' HB3' ' A' ' 35' ' ' TYR . 18.4 Cg_endo -74.99 154.67 42.7 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.531 1.806 . . . . 0.0 110.983 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.491 ' O ' ' HA ' ' A' ' 32' ' ' VAL . 0.0 OUTLIER -156.32 126.72 6.64 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.545 1.153 . . . . 0.0 110.442 179.966 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.74 ' CG2' HG22 ' A' ' 32' ' ' VAL . 6.5 p -134.82 133.43 54.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.558 1.161 . . . . 0.0 109.276 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.613 ' CB ' ' HG ' ' A' ' 31' ' ' LEU . 0.3 OUTLIER -140.28 152.58 46.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.443 1.09 . . . . 0.0 109.34 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.572 ' CG1' ' HA ' ' A' ' 100' ' ' SER . 0.4 OUTLIER -127.91 109.94 20.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.481 1.113 . . . . 0.0 109.368 179.917 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.606 ' C ' ' CD2' ' A' ' 12' ' ' LEU . 0.0 OUTLIER -111.15 145.48 38.56 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.417 1.073 . . . . 0.0 109.252 -179.969 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.556 ' HB3' ' CD2' ' A' ' 28' ' ' LEU . 0.0 OUTLIER -104.21 143.64 32.67 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.403 1.065 . . . . 0.0 110.384 179.941 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.417 ' HB3' ' CB ' ' A' ' 27' ' ' GLN . 0.1 OUTLIER -132.39 74.02 1.56 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 110.07 -179.97 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.414 ' OG ' ' N ' ' A' ' 16' ' ' SER . 96.2 p -113.73 -82.12 0.6 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.439 1.087 . . . . 0.0 110.127 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.414 ' N ' ' OG ' ' A' ' 15' ' ' SER . 82.5 p -81.78 63.8 6.2 Favored 'General case' 0 C--N 1.323 -0.562 0 O-C-N 124.483 1.115 . . . . 0.0 110.102 179.851 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.405 ' C ' ' O ' ' A' ' 16' ' ' SER . 33.5 t0 -40.28 158.22 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.115 . . . . 0.0 109.27 -179.909 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -56.22 -98.25 0.01 OUTLIER Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.478 1.111 . . . . 0.0 110.999 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -93.76 64.96 1.76 Allowed Glycine 0 CA--C 1.531 1.084 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -148.2 -90.43 0.09 OUTLIER Glycine 0 CA--C 1.53 1.02 0 N-CA-C 110.89 -0.884 . . . . 0.0 110.89 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 68.5 122.1 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.519 0.776 . . . . 0.0 109.56 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.612 ' CB ' ' HD3' ' A' ' 23' ' ' PRO . 0.1 OUTLIER -177.74 -55.21 0.0 OUTLIER Pre-proline 0 C--N 1.327 -0.413 0 O-C-N 124.438 1.087 . . . . 0.0 110.872 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . 0.612 ' HD3' ' CB ' ' A' ' 22' ' ' PHE . 18.4 Cg_endo -74.93 113.52 3.81 Favored 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.52 1.8 . . . . 0.0 111.016 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.483 ' O ' ' HB2' ' A' ' 77' ' ' GLN . 18.4 Cg_endo -75.0 -10.96 21.44 Favored 'Trans proline' 0 C--N 1.361 1.216 0 O-C-N 124.427 1.751 . . . . 0.0 110.996 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.425 ' HB ' ' O ' ' A' ' 75' ' ' LEU . 4.6 p -80.74 -159.1 0.22 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.14 . . . . 0.0 110.422 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.706 ' CD1' ' CZ3' ' A' ' 80' ' ' TRP . 0.7 OUTLIER -133.58 130.53 56.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.472 1.107 . . . . 0.0 109.248 -179.98 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.54 ' C ' HD13 ' A' ' 29' ' ' LEU . 2.9 mt-30 -114.05 84.08 1.98 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.548 1.155 . . . . 0.0 110.321 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.618 ' HB2' ' HB3' ' A' ' 73' ' ' LEU . 4.2 mt -96.46 105.28 17.34 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.545 1.153 . . . . 0.0 109.212 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.665 ' HA ' ' HA ' ' A' ' 72' ' ' GLU . 0.0 OUTLIER -105.76 124.45 49.58 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.448 1.092 . . . . 0.0 109.326 179.937 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.486 ' CB ' ' HB2' ' A' ' 71' ' ' SER . 0.5 OUTLIER -94.85 116.66 29.0 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.57 1.169 . . . . 0.0 108.291 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.613 ' HG ' ' CB ' ' A' ' 10' ' ' LYS . 3.2 pp -89.64 109.9 20.82 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 109.294 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.747 ' O ' HG12 ' A' ' 32' ' ' VAL . 2.4 p -136.75 108.64 6.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.416 1.072 . . . . 0.0 109.325 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.848 ' CB ' ' HA ' ' A' ' 68' ' ' SER . 12.9 p -147.72 -177.6 5.81 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.521 1.138 . . . . 0.0 109.989 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.631 ' HA2' ' HB3' ' A' ' 66' ' ' LEU . . . 80.81 -47.66 3.57 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.581 1.175 . . . . 0.0 111.06 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.75 ' O ' ' O ' ' A' ' 36' ' ' THR . 11.0 p90 -64.32 154.75 34.38 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.388 0.699 . . . . 0.0 111.009 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.75 ' O ' ' O ' ' A' ' 35' ' ' TYR . 3.8 m 46.98 139.35 0.0 OUTLIER Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.139 . . . . 0.0 110.405 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.428 ' HD3' ' HA ' ' A' ' 36' ' ' THR . 18.1 Cg_endo -74.99 -15.42 20.78 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.516 1.798 . . . . 0.0 110.949 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.638 ' O ' ' CB ' ' A' ' 39' ' ' THR . . . -124.47 3.79 8.79 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.507 1.129 . . . . 0.0 110.973 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.656 ' N ' ' CB ' ' A' ' 67' ' ' ALA . 0.6 OUTLIER 92.23 -167.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.567 0.804 . . . . 0.0 110.404 -179.969 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.916 ' HB ' ' O ' ' A' ' 91' ' ' THR . 0.8 OUTLIER -130.67 -141.47 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 109.182 -179.851 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . 0.42 ' HB3' ' HB ' ' A' ' 91' ' ' THR . 46.4 t30 -116.22 162.98 16.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 0.0 109.225 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.564 ' CG2' ' CB ' ' A' ' 58' ' ' ALA . 1.1 mm -115.34 133.12 62.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.546 1.154 . . . . 0.0 109.341 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.586 ' C ' ' CD1' ' A' ' 44' ' ' TRP . 1.9 m -154.81 158.26 39.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 110.353 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 1.113 ' CZ3' ' HB3' ' A' ' 88' ' ' CYS . 20.1 m95 -149.05 130.46 14.75 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.61 1.194 . . . . 0.0 107.949 -179.87 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.424 ' CB ' ' OE1' ' A' ' 98' ' ' GLU . 0.2 OUTLIER -100.51 110.44 22.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.279 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -100.15 101.25 12.25 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.55 1.156 . . . . 0.0 110.254 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.471 ' O ' ' HA ' ' A' ' 84' ' ' ARG . 9.8 t0 -83.93 81.6 8.71 Favored 'General case' 0 C--N 1.327 -0.408 0 O-C-N 124.401 1.063 . . . . 0.0 109.365 179.901 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.501 ' O ' ' CB ' ' A' ' 49' ' ' GLN . . . 173.22 -39.88 0.15 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.518 1.136 . . . . 0.0 110.988 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.501 ' CB ' ' O ' ' A' ' 48' ' ' GLY . 1.9 mt-30 161.08 104.33 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.533 0.784 . . . . 0.0 110.345 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.415 ' O ' ' CG1' ' A' ' 50' ' ' VAL . 3.6 p -85.39 44.63 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 109.232 -179.865 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' MET . . . . . 0.499 ' O ' ' N ' ' A' ' 53' ' ' VAL . 0.0 OUTLIER -77.02 172.14 13.67 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.621 1.201 . . . . 0.0 110.961 -179.957 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -66.02 69.51 0.05 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.421 1.076 . . . . 0.0 109.236 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.584 HG22 ' CE1' ' A' ' 79' ' ' HIS . 1.4 p -132.73 -101.41 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.556 1.16 . . . . 0.0 109.401 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.583 ' CB ' ' HB2' ' A' ' 75' ' ' LEU . 4.1 m-20 -93.46 134.2 35.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.147 . . . . 0.0 109.309 179.892 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.637 ' CD2' ' N ' ' A' ' 56' ' ' SER . 0.0 OUTLIER -141.96 160.33 40.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.433 1.083 . . . . 0.0 109.249 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.901 ' HB2' ' CE2' ' A' ' 44' ' ' TRP . 0.2 OUTLIER -129.99 132.96 46.48 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.476 1.11 . . . . 0.0 109.92 -179.965 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -130.79 157.83 41.8 Favored 'General case' 0 C--N 1.327 -0.397 0 O-C-N 124.518 1.136 . . . . 0.0 110.358 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.746 ' CB ' ' HA ' ' A' ' 71' ' ' SER . . . -134.14 150.5 51.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.42 1.075 . . . . 0.0 109.268 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' SER . . . . . 0.57 ' O ' ' HA ' ' A' ' 69' ' ' THR . 0.5 OUTLIER -108.65 151.83 25.62 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.451 1.094 . . . . 0.0 110.022 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' THR . . . . . 0.471 ' HA ' ' OG1' ' A' ' 69' ' ' THR . 1.3 t -105.2 142.38 35.06 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.439 1.087 . . . . 0.0 110.474 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' THR . . . . . 0.722 ' OG1' ' O ' ' A' ' 68' ' ' SER . 0.6 OUTLIER -142.75 158.12 43.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.55 1.156 . . . . 0.0 110.341 -179.903 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 5.4 tt0 -95.25 130.41 42.01 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.498 1.124 . . . . 0.0 110.312 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -129.27 63.39 1.5 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.471 1.107 . . . . 0.0 110.269 -179.914 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 73.69 -107.2 2.18 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.459 1.1 . . . . 0.0 111.006 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -100.21 0.01 39.57 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.437 0.728 . . . . 0.0 110.311 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.631 ' HB3' ' HA2' ' A' ' 34' ' ' GLY . 5.7 mp -114.27 -179.38 3.62 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.489 1.118 . . . . 0.0 109.324 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.705 ' CB ' ' O ' ' A' ' 36' ' ' THR . . . -133.98 121.65 21.94 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.131 . . . . 0.0 109.333 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' SER . . . . . 0.848 ' HA ' ' CB ' ' A' ' 33' ' ' SER . 23.0 t -104.2 119.81 39.76 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.549 1.156 . . . . 0.0 109.995 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' THR . . . . . 0.71 ' HB ' ' OH ' ' A' ' 35' ' ' TYR . 0.8 OUTLIER -122.76 114.67 20.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.602 1.189 . . . . 0.0 110.383 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . 0.536 ' O ' ' HA ' ' A' ' 58' ' ' ALA . 29.8 pt20 -91.66 127.72 37.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.451 1.095 . . . . 0.0 110.358 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.746 ' HA ' ' CB ' ' A' ' 58' ' ' ALA . 0.8 OUTLIER -111.05 143.07 42.34 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.541 1.151 . . . . 0.0 110.003 179.979 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.665 ' HA ' ' HA ' ' A' ' 29' ' ' LEU . 0.9 OUTLIER -134.11 152.93 52.06 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.487 1.117 . . . . 0.0 110.306 -179.956 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.661 ' CB ' ' HB3' ' A' ' 56' ' ' SER . 6.3 tt -134.44 139.03 45.24 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.564 1.165 . . . . 0.0 109.248 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' THR . . . . . 0.459 ' O ' ' HB3' ' A' ' 54' ' ' ASP . 0.0 OUTLIER -134.32 114.93 13.5 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.446 1.091 . . . . 0.0 110.386 179.94 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.583 ' HB2' ' CB ' ' A' ' 54' ' ' ASP . 0.1 OUTLIER -142.31 136.77 30.05 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.392 1.058 . . . . 0.0 109.333 -179.971 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' SER . . . . . 0.518 ' O ' ' CD1' ' A' ' 75' ' ' LEU . 0.4 OUTLIER -71.72 164.33 26.14 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 110.047 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . 0.483 ' HB2' ' O ' ' A' ' 24' ' ' PRO . 0.0 OUTLIER -69.85 -39.56 76.33 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.398 1.061 . . . . 0.0 110.303 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 24.6 tttt -51.99 -54.45 29.72 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.486 1.116 . . . . 0.0 109.301 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . 0.584 ' CE1' HG22 ' A' ' 53' ' ' VAL . 7.7 m170 -59.81 -34.73 73.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 109.579 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' TRP . . . . . 0.902 ' CZ3' ' CE1' ' A' ' 86' ' ' TYR . 41.7 t-105 -62.44 -43.85 97.82 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.532 1.145 . . . . 0.0 107.978 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 1.2 tp -67.7 -22.0 65.29 Favored 'General case' 0 C--N 1.323 -0.568 0 O-C-N 124.515 1.134 . . . . 0.0 109.312 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' SER . . . . . 0.847 ' HB3' HH21 ' A' ' 84' ' ' ARG . 0.3 OUTLIER -74.35 -9.68 58.83 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.482 1.114 . . . . 0.0 109.88 -179.934 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . 0.663 ' O ' ' CB ' ' A' ' 84' ' ' ARG . 0.3 OUTLIER 87.22 -158.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.583 1.177 . . . . 0.0 109.191 179.961 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . 0.847 HH21 ' HB3' ' A' ' 82' ' ' SER . 5.8 ptp180 100.63 168.74 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.488 1.117 . . . . 0.0 110.241 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' THR . . . . . 0.513 ' CG2' ' HB3' ' A' ' 102' ' ' LYS . 45.9 m -121.74 112.61 18.61 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.438 1.086 . . . . 0.0 110.4 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . 0.902 ' CE1' ' CZ3' ' A' ' 80' ' ' TRP . 0.0 OUTLIER -101.88 92.97 5.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.593 1.183 . . . . 0.0 111.015 -179.968 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' THR . . . . . 1.248 ' HA ' ' CB ' ' A' ' 100' ' ' SER . 0.2 OUTLIER -113.29 139.61 48.69 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 110.449 179.955 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' CYS . . . . . 1.113 ' HB3' ' CZ3' ' A' ' 44' ' ' TRP . 28.1 p -90.17 104.16 16.76 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.496 1.123 . . . . 0.0 108.283 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . 0.507 ' H ' ' HA ' ' A' ' 44' ' ' TRP . 3.8 tt0 -93.22 106.25 18.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.56 1.163 . . . . 0.0 110.36 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.571 HG12 ' CE1' ' A' ' 92' ' ' TYR . 3.4 t -96.4 133.05 39.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.521 1.138 . . . . 0.0 109.342 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' THR . . . . . 0.916 ' O ' ' HB ' ' A' ' 40' ' ' ILE . 0.8 OUTLIER -103.7 163.64 12.19 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.482 1.114 . . . . 0.0 110.396 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . 0.787 ' CE1' HD13 ' A' ' 40' ' ' ILE . 27.1 m-85 -140.22 158.61 43.77 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.13 . . . . 0.0 111.038 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . 0.531 ' CG ' HG23 ' A' ' 36' ' ' THR . 1.0 OUTLIER -46.56 -27.39 1.11 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.373 1.046 . . . . 0.0 110.261 -179.962 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -157.11 36.19 0.56 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.408 1.068 . . . . 0.0 111.066 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . 0.46 ' C ' ' HB2' ' A' ' 92' ' ' TYR . 5.8 t60 -158.99 171.34 20.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.559 0.799 . . . . 0.0 109.505 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 8.4 t -161.48 161.18 29.97 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.563 1.165 . . . . 0.0 110.419 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . 0.68 ' CE1' HG22 ' A' ' 9' ' ' VAL . 0.0 OUTLIER -169.72 163.48 9.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 0.0 110.982 -179.944 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . 0.455 ' HG2' ' CG2' ' A' ' 87' ' ' THR . 32.2 tt0 -155.58 126.52 7.02 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.446 1.091 . . . . 0.0 110.223 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . 0.612 ' O ' ' SG ' ' A' ' 88' ' ' CYS . 1.0 OUTLIER -156.48 134.04 10.85 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.651 1.22 . . . . 0.0 109.268 179.986 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' SER . . . . . 1.248 ' CB ' ' HA ' ' A' ' 87' ' ' THR . 3.3 t -171.54 -136.69 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.514 1.134 . . . . 0.0 109.974 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' THR . . . . . 0.579 HG21 ' CE1' ' A' ' 86' ' ' TYR . 8.7 t -133.78 178.5 6.89 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 110.374 -179.915 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . 0.603 ' HA ' ' CE1' ' A' ' 86' ' ' TYR . 0.0 OUTLIER -170.9 160.18 6.57 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 124.558 1.162 . . . . 0.0 109.261 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . 0.678 ' O ' ' N ' ' A' ' 105' ' ' ALA . 0.4 OUTLIER -148.38 172.11 14.95 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.527 1.142 . . . . 0.0 109.323 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' SER . . . . . 0.597 ' CB ' ' HB2' ' A' ' 83' ' ' ASP . 2.9 t 27.38 35.99 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.494 1.121 . . . . 0.0 110.013 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . 0.678 ' N ' ' O ' ' A' ' 103' ' ' LYS . . . . . . . . 0 C--N 1.326 -0.437 0 O-C-N 124.568 1.167 . . . . 0.0 109.249 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.992 -0.373 . . . . 0.0 109.992 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 9.7 ptt180 -165.45 82.28 0.34 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.504 1.127 . . . . 0.0 110.267 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -154.93 173.71 16.15 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.547 1.155 . . . . 0.0 109.228 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.595 ' C ' ' CD1' ' A' ' 4' ' ' PHE . 0.0 OUTLIER 62.76 168.66 0.13 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 0.0 110.989 -179.899 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.593 ' O ' ' CE2' ' A' ' 4' ' ' PHE . 0.2 OUTLIER -144.07 -176.56 0.56 Allowed Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.574 1.171 . . . . 0.0 110.435 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.523 ' CD ' ' CB ' ' A' ' 5' ' ' THR . 18.8 Cg_endo -74.9 115.0 4.16 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.549 1.815 . . . . 0.0 110.994 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.511 ' HA ' ' HB3' ' A' ' 35' ' ' TYR . 18.2 Cg_endo -74.99 158.26 42.36 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.476 1.777 . . . . 0.0 111.072 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.479 ' O ' ' HA ' ' A' ' 32' ' ' VAL . 0.0 OUTLIER -149.24 129.35 13.58 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.477 1.11 . . . . 0.0 110.411 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.612 HG13 ' CD1' ' A' ' 97' ' ' PHE . 2.2 p -131.64 143.96 38.84 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 O-C-N 124.47 1.106 . . . . 0.0 109.33 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.595 ' N ' ' O ' ' A' ' 31' ' ' LEU . 5.8 mttt -134.85 156.07 49.55 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.487 1.117 . . . . 0.0 109.272 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.612 HG13 ' HA ' ' A' ' 100' ' ' SER . 0.0 OUTLIER -128.44 113.71 30.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.507 1.13 . . . . 0.0 109.241 -179.9 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.562 ' HG ' ' CD1' ' A' ' 31' ' ' LEU . 95.3 mt -117.8 134.45 54.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.451 1.095 . . . . 0.0 109.299 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -105.32 143.7 33.13 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.425 1.078 . . . . 0.0 110.331 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.404 ' HB2' ' O ' ' A' ' 27' ' ' GLN . 0.1 OUTLIER -132.14 75.58 1.65 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.4 1.062 . . . . 0.0 110.041 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 91.2 p -111.18 176.0 5.2 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 110.031 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.411 ' O ' ' C ' ' A' ' 17' ' ' ASP . 10.4 p -158.6 114.47 2.67 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.506 1.129 . . . . 0.0 109.931 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.411 ' C ' ' O ' ' A' ' 16' ' ' SER . 11.9 t70 -39.9 158.73 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.483 1.115 . . . . 0.0 109.289 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -70.01 155.0 53.08 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.544 1.153 . . . . 0.0 110.874 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -81.39 -36.89 19.22 Favored Glycine 0 CA--C 1.53 0.997 0 N-CA-C 111.119 -0.792 . . . . 0.0 111.119 179.864 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -169.41 -48.49 0.03 OUTLIER Glycine 0 CA--C 1.53 0.972 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 22.3 m-70 -84.01 -53.39 5.59 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.421 0.718 . . . . 0.0 109.519 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.515 ' CD2' ' O ' ' A' ' 23' ' ' PRO . 4.6 p90 -176.42 163.87 1.74 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.552 1.157 . . . . 0.0 110.98 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . 0.515 ' O ' ' CD2' ' A' ' 22' ' ' PHE . 18.3 Cg_endo -75.09 166.93 28.07 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.548 1.815 . . . . 0.0 110.981 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.428 ' O ' ' HB2' ' A' ' 77' ' ' GLN . 18.4 Cg_endo -74.95 -91.81 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.511 1.795 . . . . 0.0 111.031 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.438 ' HB ' ' O ' ' A' ' 75' ' ' LEU . 37.4 p -140.37 -158.87 0.9 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.579 1.174 . . . . 0.0 110.395 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.674 ' CD1' ' CZ3' ' A' ' 80' ' ' TRP . 0.1 OUTLIER -132.24 129.16 59.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.451 1.094 . . . . 0.0 109.357 -179.97 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.534 ' HA ' ' O ' ' A' ' 73' ' ' LEU . 1.1 mt-30 -113.81 88.2 2.79 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.417 1.073 . . . . 0.0 110.287 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.564 ' HB2' ' HB3' ' A' ' 73' ' ' LEU . 4.8 mt -94.34 100.36 12.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.399 1.062 . . . . 0.0 109.229 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.705 ' HA ' ' HA ' ' A' ' 72' ' ' GLU . 10.6 mp -98.91 120.74 39.86 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.524 1.14 . . . . 0.0 109.272 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.589 ' HB2' ' CZ2' ' A' ' 44' ' ' TRP . 0.0 OUTLIER -93.78 137.01 33.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 108.345 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.595 ' O ' ' N ' ' A' ' 10' ' ' LYS . 1.2 mp -109.79 108.14 18.37 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.571 1.169 . . . . 0.0 109.299 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.758 HG13 ' O ' ' A' ' 32' ' ' VAL . 3.6 p -132.28 117.75 33.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.353 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.877 ' CB ' ' HA ' ' A' ' 68' ' ' SER . 20.3 p -152.61 -177.03 5.98 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.562 1.164 . . . . 0.0 110.046 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.524 ' HA2' ' HB3' ' A' ' 66' ' ' LEU . . . 81.42 -47.37 3.6 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.41 1.069 . . . . 0.0 110.987 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.791 ' O ' ' O ' ' A' ' 36' ' ' THR . 5.3 p90 -62.76 158.1 19.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.461 0.742 . . . . 0.0 110.931 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.791 ' O ' ' O ' ' A' ' 35' ' ' TYR . 4.0 m 45.32 142.71 0.0 OUTLIER Pre-proline 0 C--N 1.326 -0.421 0 O-C-N 124.49 1.119 . . . . 0.0 110.38 -179.912 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.471 ' C ' ' HB2' ' A' ' 67' ' ' ALA . 18.4 Cg_endo -75.09 -12.03 21.33 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.453 1.765 . . . . 0.0 111.035 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.533 ' O ' ' CB ' ' A' ' 39' ' ' THR . . . -124.03 -53.82 0.19 Allowed Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.502 1.126 . . . . 0.0 111.017 179.891 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.572 ' CG2' ' N ' ' A' ' 40' ' ' ILE . 0.9 OUTLIER 164.34 173.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.453 0.737 . . . . 0.0 110.457 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.928 ' HB ' ' O ' ' A' ' 91' ' ' THR . 1.7 pt -121.55 -141.95 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.464 1.103 . . . . 0.0 109.282 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . 0.539 ' CB ' ' CG2' ' A' ' 91' ' ' THR . 8.6 t-20 -112.83 154.96 25.46 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.102 . . . . 0.0 109.3 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.555 HG21 ' N ' ' A' ' 58' ' ' ALA . 3.4 mt -126.02 116.9 47.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.552 1.158 . . . . 0.0 109.261 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.533 ' C ' ' CD1' ' A' ' 44' ' ' TRP . 1.7 m -149.25 157.75 43.61 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.512 1.133 . . . . 0.0 110.429 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.984 ' CZ3' ' HB3' ' A' ' 88' ' ' CYS . 7.8 m95 -139.76 129.96 25.21 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.538 1.149 . . . . 0.0 108.009 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -95.6 118.0 31.49 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.39 1.056 . . . . 0.0 109.29 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.506 ' OE1' ' CG1' ' A' ' 50' ' ' VAL . 4.6 tm-20 -99.08 146.34 26.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 110.331 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.478 ' CB ' ' HB ' ' A' ' 85' ' ' THR . 0.1 OUTLIER -146.94 96.89 2.82 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.426 1.079 . . . . 0.0 109.264 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.502 ' O ' ' C ' ' A' ' 49' ' ' GLN . . . 161.41 38.03 0.02 OUTLIER Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.484 1.115 . . . . 0.0 111.004 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.502 ' C ' ' O ' ' A' ' 48' ' ' GLY . 0.0 OUTLIER 30.09 68.19 0.1 Allowed 'General case' 0 C--N 1.327 -0.388 0 O-C-N 124.483 0.755 . . . . 0.0 110.389 -179.939 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.506 ' CG1' ' OE1' ' A' ' 46' ' ' GLU . 4.1 p -86.84 114.65 26.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.527 1.142 . . . . 0.0 109.238 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' MET . . . . . 0.406 ' O ' ' O ' ' A' ' 52' ' ' ASP . 0.0 OUTLIER -86.06 -33.34 21.01 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.433 1.083 . . . . 0.0 111.004 179.941 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.483 ' CG ' ' N ' ' A' ' 53' ' ' VAL . 5.5 p-10 -59.97 -151.44 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 109.224 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.483 ' N ' ' CG ' ' A' ' 52' ' ' ASP . 0.0 OUTLIER -116.43 72.6 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.44 1.088 . . . . 0.0 109.242 -179.9 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.504 ' CB ' ' HB2' ' A' ' 75' ' ' LEU . 47.8 t0 -97.25 84.88 3.56 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.451 1.094 . . . . 0.0 109.331 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.637 ' CD2' ' N ' ' A' ' 56' ' ' SER . 0.0 OUTLIER -134.2 152.58 51.9 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.449 1.093 . . . . 0.0 109.277 -179.942 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.931 ' HB2' ' CE2' ' A' ' 44' ' ' TRP . 0.0 OUTLIER -129.53 135.68 48.9 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.11 . . . . 0.0 109.947 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' THR . . . . . 0.416 ' O ' ' N ' ' A' ' 72' ' ' GLU . 0.2 OUTLIER -129.02 153.25 47.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.603 1.189 . . . . 0.0 110.428 179.929 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.767 ' CB ' ' HA ' ' A' ' 71' ' ' SER . . . -133.45 155.04 50.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 109.259 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' SER . . . . . 0.534 ' O ' ' HA ' ' A' ' 69' ' ' THR . 8.6 t -109.51 170.45 8.05 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 110.016 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 2.4 t -104.09 146.97 27.96 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.555 1.159 . . . . 0.0 110.378 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' THR . . . . . 0.469 ' OG1' ' C ' ' A' ' 68' ' ' SER . 0.6 OUTLIER -137.4 158.95 43.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 110.403 -179.932 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 11.6 mt-30 -116.32 131.99 56.79 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.596 1.185 . . . . 0.0 110.315 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -137.04 63.99 1.55 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.424 1.078 . . . . 0.0 110.305 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 72.24 -108.47 2.5 Favored Glycine 0 CA--C 1.528 0.867 0 O-C-N 124.608 1.193 . . . . 0.0 111.008 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -94.83 -2.07 51.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.363 0.684 . . . . 0.0 110.317 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.524 ' HB3' ' HA2' ' A' ' 34' ' ' GLY . 2.4 mp -108.26 169.04 8.88 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.42 1.075 . . . . 0.0 109.322 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.711 ' CB ' ' O ' ' A' ' 36' ' ' THR . . . -134.76 121.21 20.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 109.33 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' SER . . . . . 0.877 ' HA ' ' CB ' ' A' ' 33' ' ' SER . 11.7 t -96.43 179.9 4.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.619 1.199 . . . . 0.0 110.078 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' THR . . . . . 0.697 ' HB ' ' OH ' ' A' ' 35' ' ' TYR . 1.0 OUTLIER -170.9 122.48 0.59 Allowed 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.407 1.067 . . . . 0.0 110.311 179.894 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . 0.719 ' O ' ' HA ' ' A' ' 58' ' ' ALA . 46.7 mt-30 -97.92 117.26 31.85 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 110.329 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.767 ' HA ' ' CB ' ' A' ' 58' ' ' ALA . 0.7 OUTLIER -106.54 146.33 30.76 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.434 1.084 . . . . 0.0 109.938 -179.957 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.705 ' HA ' ' HA ' ' A' ' 29' ' ' LEU . 0.2 OUTLIER -138.62 151.33 47.15 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.495 1.122 . . . . 0.0 110.333 179.926 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.644 ' HA ' ' HB3' ' A' ' 56' ' ' SER . 8.9 tt -131.14 140.82 50.03 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.391 1.057 . . . . 0.0 109.265 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -140.48 117.72 11.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.439 1.087 . . . . 0.0 110.43 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.623 ' CD2' ' CE2' ' A' ' 86' ' ' TYR . 0.2 OUTLIER -149.91 146.66 27.2 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.511 1.132 . . . . 0.0 109.233 -179.965 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' SER . . . . . 0.497 ' O ' ' CD1' ' A' ' 75' ' ' LEU . 0.2 OUTLIER -63.76 138.39 58.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 110.075 179.942 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . 0.444 ' HB3' ' HG2' ' A' ' 23' ' ' PRO . 2.0 mm-40 -67.01 -33.83 76.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.115 . . . . 0.0 110.328 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.18 -53.12 47.17 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 0.0 109.317 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . 0.53 ' ND1' ' CZ ' ' A' ' 84' ' ' ARG . 0.5 OUTLIER -60.4 -38.16 83.1 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.609 179.955 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' TRP . . . . . 0.857 ' CE3' ' CZ ' ' A' ' 86' ' ' TYR . 5.2 t-105 -59.16 -40.29 85.1 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.051 -1.092 . . . . 0.0 108.051 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -68.92 -31.76 70.89 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.444 1.09 . . . . 0.0 109.317 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' SER . . . . . 0.677 ' O ' ' HB2' ' A' ' 83' ' ' ASP . 47.4 m -77.22 5.46 8.41 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.49 1.119 . . . . 0.0 110.042 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . 0.698 ' CG ' ' CB ' ' A' ' 104' ' ' SER . 26.0 m-20 84.07 148.17 0.07 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.125 . . . . 0.0 109.346 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . 0.53 ' CZ ' ' ND1' ' A' ' 79' ' ' HIS . 0.0 OUTLIER 179.66 170.67 1.07 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.613 1.196 . . . . 0.0 110.289 -179.906 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' THR . . . . . 0.478 ' HB ' ' CB ' ' A' ' 47' ' ' ASP . 1.7 m -138.27 103.12 4.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.593 1.183 . . . . 0.0 110.299 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . 0.857 ' CZ ' ' CE3' ' A' ' 80' ' ' TRP . 0.0 OUTLIER -107.78 138.09 44.63 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.473 1.108 . . . . 0.0 111.126 179.89 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' THR . . . . . 1.273 ' HA ' ' CB ' ' A' ' 100' ' ' SER . 0.2 OUTLIER -149.44 124.43 10.0 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.13 . . . . 0.0 110.373 -179.927 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' CYS . . . . . 0.984 ' HB3' ' CZ3' ' A' ' 44' ' ' TRP . 8.9 p -84.79 97.01 9.46 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.457 1.098 . . . . 0.0 108.398 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . 0.529 ' CA ' ' HG3' ' A' ' 98' ' ' GLU . 1.6 tt0 -88.69 101.16 13.71 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.454 1.096 . . . . 0.0 110.329 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.63 HG11 ' CE1' ' A' ' 92' ' ' TYR . 3.3 t -93.79 126.7 46.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.424 1.077 . . . . 0.0 109.275 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' THR . . . . . 0.928 ' O ' ' HB ' ' A' ' 40' ' ' ILE . 0.4 OUTLIER -99.14 171.61 7.9 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 110.405 179.935 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . 0.81 ' CD2' HG22 ' A' ' 40' ' ' ILE . 7.8 m-85 -146.95 157.07 43.53 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.548 1.155 . . . . 0.0 110.908 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -46.3 -25.71 0.68 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.486 1.117 . . . . 0.0 110.285 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -157.83 36.24 0.54 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.482 1.114 . . . . 0.0 111.031 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . 0.506 ' CA ' ' HB2' ' A' ' 92' ' ' TYR . 2.6 t-80 -161.34 171.33 18.48 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.45 0.736 . . . . 0.0 109.532 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 5.8 t -161.42 161.56 30.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.558 1.161 . . . . 0.0 110.397 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . 0.612 ' CD1' HG13 ' A' ' 9' ' ' VAL . 22.9 t80 -171.73 166.37 6.56 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.622 1.202 . . . . 0.0 110.97 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . 0.577 ' N ' ' CD1' ' A' ' 97' ' ' PHE . 14.2 tt0 -149.32 133.47 17.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.42 1.075 . . . . 0.0 110.362 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . 0.637 ' O ' ' SG ' ' A' ' 88' ' ' CYS . 0.0 OUTLIER -151.79 123.05 7.72 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.575 1.172 . . . . 0.0 109.222 -179.971 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' SER . . . . . 1.273 ' CB ' ' HA ' ' A' ' 87' ' ' THR . 26.9 t -168.6 -147.88 0.07 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 110.017 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' THR . . . . . 0.578 ' O ' ' O ' ' A' ' 86' ' ' TYR . 4.6 t -134.11 177.34 7.82 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.432 1.082 . . . . 0.0 110.385 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . 0.406 ' N ' ' OG1' ' A' ' 101' ' ' THR . 16.3 pttt -168.31 108.74 0.53 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.432 1.083 . . . . 0.0 109.28 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . 0.552 ' HG3' ' N ' ' A' ' 104' ' ' SER . 0.0 OUTLIER -87.21 157.36 19.36 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.509 1.131 . . . . 0.0 109.297 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' SER . . . . . 0.698 ' CB ' ' CG ' ' A' ' 83' ' ' ASP . 1.0 OUTLIER 49.28 19.37 0.32 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.451 1.094 . . . . 0.0 109.965 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . 0.433 ' N ' ' C ' ' A' ' 103' ' ' LYS . . . . . . . . 0 C--N 1.323 -0.557 0 O-C-N 124.591 1.182 . . . . 0.0 109.305 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 5.8 m . . . . . 0 N--CA 1.452 -0.366 0 N-CA-C 110.023 -0.362 . . . . 0.0 110.023 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 178.3 47.46 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.561 1.163 . . . . 0.0 110.324 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -65.82 87.81 0.1 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.415 179.906 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.468 ' CE1' ' HD3' ' A' ' 37' ' ' PRO . 3.0 m-85 45.79 -171.11 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.4 0 O-C-N 124.432 1.083 . . . . 0.0 110.977 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.524 ' OG1' ' HD2' ' A' ' 6' ' ' PRO . 0.5 OUTLIER -71.4 170.12 12.97 Favored Pre-proline 0 C--N 1.323 -0.545 0 O-C-N 124.495 1.122 . . . . 0.0 110.342 -179.976 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.524 ' HD2' ' OG1' ' A' ' 5' ' ' THR . 18.1 Cg_endo -75.09 114.75 4.09 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.51 1.795 . . . . 0.0 111.0 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.478 ' HA ' ' HB3' ' A' ' 35' ' ' TYR . 18.6 Cg_endo -74.87 155.78 43.57 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.443 1.759 . . . . 0.0 111.025 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.608 ' O ' HG22 ' A' ' 32' ' ' VAL . 0.0 OUTLIER -154.19 128.07 8.83 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.545 1.153 . . . . 0.0 110.345 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.595 HG13 ' CD1' ' A' ' 97' ' ' PHE . 3.1 p -125.5 145.79 32.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 109.354 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.582 ' N ' ' O ' ' A' ' 31' ' ' LEU . 30.6 mmtt -136.35 155.1 50.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.12 . . . . 0.0 109.246 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.566 HD12 ' N ' ' A' ' 12' ' ' LEU . 0.0 OUTLIER -130.31 109.73 17.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 109.325 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.566 ' N ' HD12 ' A' ' 11' ' ' ILE . 30.9 mt -117.41 137.43 52.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.143 . . . . 0.0 109.294 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.5 ' CB ' HD22 ' A' ' 28' ' ' LEU . 0.0 OUTLIER -107.68 150.26 27.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.561 1.163 . . . . 0.0 110.332 -179.912 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.487 ' HB2' ' O ' ' A' ' 27' ' ' GLN . 2.2 m -132.46 72.74 1.5 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.421 1.076 . . . . 0.0 109.975 -179.915 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.427 ' OG ' ' O ' ' A' ' 15' ' ' SER . 7.0 t -122.52 34.98 4.99 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.563 1.165 . . . . 0.0 110.018 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.436 ' O ' ' C ' ' A' ' 17' ' ' ASP . 3.2 m -69.29 -60.86 2.06 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.51 1.131 . . . . 0.0 110.021 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.436 ' C ' ' O ' ' A' ' 16' ' ' SER . 15.9 t70 -37.98 156.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 109.294 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -101.93 -66.15 0.77 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.509 1.13 . . . . 0.0 111.026 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 154.34 160.66 9.96 Favored Glycine 0 CA--C 1.53 0.992 0 N-CA-C 111.032 -0.827 . . . . 0.0 111.032 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -174.1 104.35 0.19 Allowed Glycine 0 CA--C 1.53 0.991 0 N-CA-C 111.057 -0.817 . . . . 0.0 111.057 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 3.8 t-80 74.65 -64.93 0.37 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 0.78 . . . . 0.0 109.54 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 7.3 m-85 -79.71 163.01 60.67 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.481 1.113 . . . . 0.0 110.958 -179.875 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 140.34 25.41 Favored 'Trans proline' 0 C--N 1.358 1.071 0 O-C-N 124.478 1.778 . . . . 0.0 110.933 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.06 158.24 42.09 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.493 1.786 . . . . 0.0 110.955 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 24.8 p -143.31 -174.49 4.23 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.523 1.139 . . . . 0.0 110.386 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.671 ' CD1' ' CZ3' ' A' ' 80' ' ' TRP . 0.3 OUTLIER -135.4 136.97 50.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 O-C-N 124.495 1.122 . . . . 0.0 109.294 179.954 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.497 ' HA ' ' O ' ' A' ' 73' ' ' LEU . 0.6 OUTLIER -114.32 96.19 5.66 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.489 1.118 . . . . 0.0 110.236 -179.973 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.627 ' O ' ' CB ' ' A' ' 73' ' ' LEU . 3.5 mt -101.08 103.31 14.4 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.52 1.138 . . . . 0.0 109.297 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.788 ' HA ' ' HA ' ' A' ' 72' ' ' GLU . 0.4 OUTLIER -110.11 128.91 55.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.403 1.064 . . . . 0.0 109.341 179.966 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.479 ' SG ' ' O ' ' A' ' 10' ' ' LYS . 0.1 OUTLIER -93.66 135.52 34.87 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.469 1.105 . . . . 0.0 108.315 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.582 ' O ' ' N ' ' A' ' 10' ' ' LYS . 3.4 mp -103.12 100.95 10.89 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.572 1.17 . . . . 0.0 109.268 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.808 ' CG2' ' CE2' ' A' ' 35' ' ' TYR . 3.8 p -131.42 122.1 49.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 O-C-N 124.52 1.137 . . . . 0.0 109.268 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.877 ' CB ' ' HA ' ' A' ' 68' ' ' SER . 21.7 p -154.98 -176.0 5.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.12 . . . . 0.0 109.929 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.533 ' O ' ' HB3' ' A' ' 66' ' ' LEU . . . 78.81 -47.24 3.04 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.456 1.098 . . . . 0.0 110.987 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.871 ' OH ' ' HB ' ' A' ' 69' ' ' THR . 12.1 p90 -60.86 143.01 55.68 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 0.769 . . . . 0.0 110.871 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.739 ' O ' ' CB ' ' A' ' 67' ' ' ALA . 9.4 m 48.87 138.63 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.612 1.195 . . . . 0.0 110.411 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.468 ' HD3' ' CE1' ' A' ' 4' ' ' PHE . 18.2 Cg_endo -75.13 -8.07 19.61 Favored 'Trans proline' 0 C--N 1.361 1.226 0 O-C-N 124.55 1.816 . . . . 0.0 111.01 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.64 ' O ' ' CB ' ' A' ' 39' ' ' THR . . . -124.77 4.8 8.54 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.394 1.059 . . . . 0.0 111.027 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.64 ' CB ' ' O ' ' A' ' 38' ' ' GLY . 0.6 OUTLIER 92.82 -164.59 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.581 0.812 . . . . 0.0 110.3 -179.959 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 1.036 ' HB ' ' O ' ' A' ' 91' ' ' THR . 2.3 pt -133.83 -141.21 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 O-C-N 124.476 1.11 . . . . 0.0 109.179 -179.898 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 24.8 t-20 -113.85 159.63 19.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.543 1.152 . . . . 0.0 109.383 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.538 ' CG2' ' CB ' ' A' ' 58' ' ' ALA . 1.4 mm -117.0 127.86 74.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 O-C-N 124.531 1.144 . . . . 0.0 109.287 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.569 ' C ' ' CD1' ' A' ' 44' ' ' TRP . 2.0 m -154.42 158.68 40.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 110.397 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 1.066 ' CZ3' ' HB3' ' A' ' 88' ' ' CYS . 18.3 m95 -146.79 130.55 17.03 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.139 . . . . 0.0 108.025 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -94.83 110.8 22.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.436 1.085 . . . . 0.0 109.279 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -98.97 148.76 23.66 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.465 1.103 . . . . 0.0 110.338 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.509 ' CB ' ' HB ' ' A' ' 85' ' ' THR . 0.4 OUTLIER -156.73 90.78 1.17 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.451 1.094 . . . . 0.0 109.308 179.957 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 162.81 49.42 0.02 OUTLIER Glycine 0 CA--C 1.532 1.104 0 O-C-N 124.647 1.217 . . . . 0.0 110.904 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 5.0 mp0 58.82 89.12 0.06 Allowed 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.529 0.782 . . . . 0.0 110.316 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.465 ' CG1' ' O ' ' A' ' 50' ' ' VAL . 2.4 p -85.36 44.19 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.458 1.099 . . . . 0.0 109.265 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' MET . . . . . 0.452 ' CG ' ' N ' ' A' ' 52' ' ' ASP . 15.7 ptm -79.83 -38.61 32.5 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.453 1.096 . . . . 0.0 111.011 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.47 ' HB2' ' CE1' ' A' ' 79' ' ' HIS . 4.6 t0 -64.02 -146.93 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.543 1.152 . . . . 0.0 109.276 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -130.35 89.24 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.435 1.084 . . . . 0.0 109.26 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -142.67 108.92 5.25 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.42 1.075 . . . . 0.0 109.259 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.653 ' CD2' ' N ' ' A' ' 56' ' ' SER . 0.0 OUTLIER -136.17 161.62 35.23 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 0.0 109.259 179.973 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 1.014 ' HB2' ' CE2' ' A' ' 44' ' ' TRP . 0.0 OUTLIER -130.01 134.04 47.15 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.442 1.089 . . . . 0.0 110.005 -179.975 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' THR . . . . . 0.443 ' O ' ' N ' ' A' ' 72' ' ' GLU . 0.3 OUTLIER -132.2 156.12 47.03 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.549 1.156 . . . . 0.0 110.5 179.942 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.723 ' CB ' ' HA ' ' A' ' 71' ' ' SER . . . -130.22 151.59 50.57 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.59 1.182 . . . . 0.0 109.403 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' SER . . . . . 0.515 ' N ' ' O ' ' A' ' 70' ' ' GLN . 0.2 OUTLIER -106.34 162.61 13.53 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.533 1.145 . . . . 0.0 109.967 -179.964 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' THR . . . . . 0.559 HG23 ' CB ' ' A' ' 39' ' ' THR . 2.3 m -107.13 141.69 38.0 Favored 'General case' 0 C--N 1.323 -0.573 0 O-C-N 124.571 1.17 . . . . 0.0 110.354 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' THR . . . . . 0.663 ' OG1' ' O ' ' A' ' 68' ' ' SER . 0.0 OUTLIER -145.0 156.42 43.94 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.482 1.113 . . . . 0.0 110.423 179.95 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 2.9 tt0 -99.08 129.32 45.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.122 . . . . 0.0 110.293 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.449 ' O ' ' CD1' ' A' ' 66' ' ' LEU . 0.1 OUTLIER -127.03 64.07 1.31 Allowed 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.469 1.106 . . . . 0.0 110.323 179.957 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 73.69 -107.07 2.14 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.419 1.075 . . . . 0.0 111.018 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -101.14 0.19 37.26 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.432 0.725 . . . . 0.0 110.303 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.533 ' HB3' ' O ' ' A' ' 34' ' ' GLY . 0.0 OUTLIER -112.95 178.77 4.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 109.295 179.982 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.739 ' CB ' ' O ' ' A' ' 36' ' ' THR . . . -128.72 120.22 26.06 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.507 1.129 . . . . 0.0 109.301 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' SER . . . . . 0.877 ' HA ' ' CB ' ' A' ' 33' ' ' SER . 43.7 t -106.23 121.08 43.47 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.374 1.046 . . . . 0.0 110.005 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' THR . . . . . 0.871 ' HB ' ' OH ' ' A' ' 35' ' ' TYR . 0.7 OUTLIER -122.34 121.98 37.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.567 1.167 . . . . 0.0 110.379 -179.95 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . 0.602 ' O ' ' HA ' ' A' ' 58' ' ' ALA . 0.1 OUTLIER -95.87 125.66 40.58 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.448 1.092 . . . . 0.0 110.3 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.723 ' HA ' ' CB ' ' A' ' 58' ' ' ALA . 0.7 OUTLIER -108.29 144.59 35.58 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.477 1.111 . . . . 0.0 109.945 -179.95 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.788 ' HA ' ' HA ' ' A' ' 29' ' ' LEU . 44.2 tt0 -133.58 160.83 36.31 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.475 1.11 . . . . 0.0 110.324 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.627 ' CB ' ' O ' ' A' ' 28' ' ' LEU . 18.2 tp -139.04 146.24 40.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.45 1.094 . . . . 0.0 109.357 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -139.87 118.42 12.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.449 1.093 . . . . 0.0 110.425 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.709 ' N ' ' CD1' ' A' ' 75' ' ' LEU . 0.0 OUTLIER -140.58 162.49 35.24 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 109.364 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -89.12 137.92 31.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.11 . . . . 0.0 110.076 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 21.1 tp60 -56.35 -36.39 68.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.313 1.008 . . . . 0.0 110.236 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.56 -46.94 73.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.117 . . . . 0.0 109.347 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . 0.47 ' CE1' ' HB2' ' A' ' 52' ' ' ASP . 0.0 OUTLIER -60.75 -39.81 90.12 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.516 1.135 . . . . 0.0 109.537 -179.969 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' TRP . . . . . 0.869 ' CZ3' ' CZ ' ' A' ' 86' ' ' TYR . 19.4 t-105 -62.63 -34.4 76.96 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.31 -39.74 85.93 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.354 1.034 . . . . 0.0 109.389 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' SER . . . . . 0.524 ' O ' ' HB2' ' A' ' 83' ' ' ASP . 0.2 OUTLIER -77.31 6.9 5.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.431 1.082 . . . . 0.0 109.993 179.943 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . 0.569 ' HB3' ' HA ' ' A' ' 104' ' ' SER . 49.3 m-20 65.73 152.83 0.06 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.404 1.065 . . . . 0.0 109.233 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . 0.517 ' HG3' ' CE2' ' A' ' 86' ' ' TYR . 0.5 OUTLIER -179.64 -172.25 0.21 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.524 1.14 . . . . 0.0 110.146 -179.947 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' THR . . . . . 0.509 ' HB ' ' CB ' ' A' ' 47' ' ' ASP . 1.0 OUTLIER -136.06 113.64 10.92 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.437 1.086 . . . . 0.0 110.501 179.939 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . 0.869 ' CZ ' ' CZ3' ' A' ' 80' ' ' TRP . 0.0 OUTLIER -119.95 123.67 44.09 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.51 1.131 . . . . 0.0 111.052 179.986 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' THR . . . . . 1.386 ' HA ' ' CB ' ' A' ' 100' ' ' SER . 1.4 m -142.4 136.83 29.95 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.513 1.133 . . . . 0.0 110.413 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' CYS . . . . . 1.066 ' HB3' ' CZ3' ' A' ' 44' ' ' TRP . 1.4 p -96.38 101.4 13.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 108.279 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . 0.452 ' N ' ' O ' ' A' ' 43' ' ' THR . 55.3 tt0 -93.68 106.38 18.35 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.437 1.085 . . . . 0.0 110.258 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.616 HG13 ' CE1' ' A' ' 92' ' ' TYR . 0.4 OUTLIER -98.25 121.73 49.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 O-C-N 124.438 1.086 . . . . 0.0 109.294 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' THR . . . . . 1.036 ' O ' ' HB ' ' A' ' 40' ' ' ILE . 0.8 OUTLIER -98.24 166.29 11.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.587 1.18 . . . . 0.0 110.385 179.999 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . 0.798 ' HA ' ' HB ' ' A' ' 40' ' ' ILE . 3.8 m-85 -135.79 153.64 51.46 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.437 1.086 . . . . 0.0 111.078 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 3.3 pp0? -52.16 -20.46 2.58 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.478 1.111 . . . . 0.0 110.303 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -152.77 33.81 0.81 Allowed Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.469 1.106 . . . . 0.0 110.947 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . 0.535 ' CA ' ' HB2' ' A' ' 92' ' ' TYR . 6.4 t60 -166.97 175.13 7.84 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.457 0.739 . . . . 0.0 109.626 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 14.8 t -161.25 151.33 17.35 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.128 . . . . 0.0 110.443 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . 0.595 ' CD1' HG13 ' A' ' 9' ' ' VAL . 2.8 t80 -163.84 162.53 23.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.541 1.151 . . . . 0.0 110.986 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . 0.422 ' HG2' ' CG2' ' A' ' 87' ' ' THR . 32.3 tt0 -154.69 136.84 14.76 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.55 1.156 . . . . 0.0 110.356 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . 0.682 ' O ' ' SG ' ' A' ' 88' ' ' CYS . 22.8 m-20 -155.87 131.16 9.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.446 1.091 . . . . 0.0 109.27 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' SER . . . . . 1.386 ' CB ' ' HA ' ' A' ' 87' ' ' THR . 0.6 OUTLIER -172.38 -150.02 0.05 Allowed 'General case' 0 C--N 1.327 -0.39 0 O-C-N 124.426 1.079 . . . . 0.0 109.982 -179.964 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' THR . . . . . 0.49 HG21 ' CE1' ' A' ' 86' ' ' TYR . 5.2 t -133.69 172.99 12.0 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.117 . . . . 0.0 110.417 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -170.73 139.19 1.5 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.564 1.165 . . . . 0.0 109.229 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . 0.663 ' HG2' ' N ' ' A' ' 104' ' ' SER . 0.0 OUTLIER -151.08 158.44 44.06 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.494 1.121 . . . . 0.0 109.263 -179.964 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' SER . . . . . 0.663 ' N ' ' HG2' ' A' ' 103' ' ' LYS . 7.5 t -148.53 15.64 1.0 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.496 1.123 . . . . 0.0 110.024 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.431 0 O-C-N 124.488 1.118 . . . . 0.0 109.31 -179.989 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 35.8 p . . . . . 0 N--CA 1.451 -0.395 0 N-CA-C 110.122 -0.325 . . . . 0.0 110.122 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 173.98 64.35 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.449 1.093 . . . . 0.0 110.234 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . 0.652 ' O ' ' CB ' ' A' ' 4' ' ' PHE . 6.7 t70 -155.13 -179.95 8.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 109.357 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.652 ' CB ' ' O ' ' A' ' 3' ' ' ASP . 2.0 m-30 86.22 -173.26 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 111.035 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.728 ' N ' ' HD3' ' A' ' 6' ' ' PRO . 0.6 OUTLIER 66.03 46.66 0.48 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.441 1.088 . . . . 0.0 110.439 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.728 ' HD3' ' N ' ' A' ' 5' ' ' THR . 18.6 Cg_endo -74.89 111.87 3.43 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.621 1.853 . . . . 0.0 111.043 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.461 ' HA ' ' HB3' ' A' ' 35' ' ' TYR . 18.4 Cg_endo -75.01 105.09 2.02 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.48 1.779 . . . . 0.0 110.985 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.586 ' O ' ' HA ' ' A' ' 32' ' ' VAL . 0.0 OUTLIER -128.3 117.61 21.78 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.6 1.188 . . . . 0.0 110.351 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.551 HG11 ' CE1' ' A' ' 97' ' ' PHE . 1.0 OUTLIER -131.07 146.5 33.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.565 1.165 . . . . 0.0 109.36 179.907 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.605 ' N ' ' O ' ' A' ' 31' ' ' LEU . 18.9 mmtt -134.41 154.13 51.54 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 109.27 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.467 HG12 ' HA ' ' A' ' 100' ' ' SER . 5.3 tp -116.35 119.18 61.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.422 1.077 . . . . 0.0 109.35 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.475 ' O ' ' HA ' ' A' ' 28' ' ' LEU . 36.4 mt -120.99 136.7 54.92 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.538 1.149 . . . . 0.0 109.278 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.46 ' NE2' HG13 ' A' ' 11' ' ' ILE . 0.0 OUTLIER -108.72 143.2 38.16 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.462 1.101 . . . . 0.0 110.356 179.933 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.447 ' HB3' ' CB ' ' A' ' 27' ' ' GLN . 13.5 t -136.21 79.23 1.76 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.51 1.131 . . . . 0.0 109.911 -179.92 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 15.2 t -125.84 132.77 52.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.444 1.09 . . . . 0.0 110.055 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.402 ' O ' ' C ' ' A' ' 17' ' ' ASP . 0.1 OUTLIER -154.87 138.85 16.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 109.912 -179.914 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.402 ' C ' ' O ' ' A' ' 16' ' ' SER . 22.0 t70 -40.37 159.26 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.488 1.117 . . . . 0.0 109.325 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -101.62 -76.55 1.19 Allowed Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.485 1.116 . . . . 0.0 111.033 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 168.33 -107.61 0.28 Allowed Glycine 0 CA--C 1.531 1.084 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -102.64 -80.07 1.43 Allowed Glycine 0 CA--C 1.529 0.924 0 O-C-N 124.561 0.801 . . . . 0.0 111.107 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -83.58 176.8 8.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 0.784 . . . . 0.0 109.601 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER 69.36 127.39 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 111.021 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.93 154.01 42.54 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.438 1.757 . . . . 0.0 111.082 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.9 162.85 36.62 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.486 1.782 . . . . 0.0 111.026 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.48 ' OG1' ' N ' ' A' ' 26' ' ' ILE . 3.1 t -139.38 -177.67 5.03 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.436 1.085 . . . . 0.0 110.369 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.708 ' CD1' ' CZ3' ' A' ' 80' ' ' TRP . 0.2 OUTLIER -140.5 137.29 36.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.523 1.139 . . . . 0.0 109.347 179.925 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.729 ' HA ' ' O ' ' A' ' 73' ' ' LEU . 4.0 mt-30 -124.27 99.95 6.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.415 1.072 . . . . 0.0 110.344 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.637 ' HB2' ' HB3' ' A' ' 73' ' ' LEU . 1.8 mt -97.75 96.69 8.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.584 1.178 . . . . 0.0 109.28 -179.92 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.585 ' HA ' ' HA ' ' A' ' 72' ' ' GLU . 9.9 mp -89.36 120.31 30.59 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.578 1.174 . . . . 0.0 109.272 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.502 ' HB2' ' CH2' ' A' ' 44' ' ' TRP . 0.5 OUTLIER -91.23 132.01 36.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.125 . . . . 0.0 108.356 179.964 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.605 ' O ' ' N ' ' A' ' 10' ' ' LYS . 2.5 mp -104.14 102.42 12.16 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.587 1.18 . . . . 0.0 109.278 -179.917 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.721 ' O ' HG11 ' A' ' 32' ' ' VAL . 3.2 p -130.01 121.83 52.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.538 1.149 . . . . 0.0 109.301 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.879 ' CB ' ' HA ' ' A' ' 68' ' ' SER . 10.9 p -157.97 -176.82 6.14 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.493 1.121 . . . . 0.0 110.03 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.59 ' HA2' ' HB3' ' A' ' 66' ' ' LEU . . . 79.0 -44.5 2.61 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.41 1.069 . . . . 0.0 110.952 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.758 ' CD1' HG21 ' A' ' 40' ' ' ILE . 5.2 p90 -64.56 153.72 38.31 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.434 0.726 . . . . 0.0 110.874 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.72 ' O ' ' O ' ' A' ' 35' ' ' TYR . 3.0 m 48.8 142.19 0.01 OUTLIER Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.466 1.104 . . . . 0.0 110.378 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.54 ' C ' ' HB3' ' A' ' 67' ' ' ALA . 18.4 Cg_endo -74.99 -11.02 21.47 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.444 1.76 . . . . 0.0 110.975 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.537 ' O ' ' CB ' ' A' ' 39' ' ' THR . . . -125.2 -54.12 0.17 Allowed Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.568 1.167 . . . . 0.0 110.967 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.577 ' CG2' ' N ' ' A' ' 40' ' ' ILE . 0.9 OUTLIER 164.11 174.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 0.762 . . . . 0.0 110.468 -179.946 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.97 ' HB ' ' O ' ' A' ' 91' ' ' THR . 1.4 pt -120.35 -138.65 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.412 1.07 . . . . 0.0 109.272 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . 0.502 ' HB3' ' CG2' ' A' ' 91' ' ' THR . 11.5 t-20 -120.42 160.04 23.89 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.496 1.122 . . . . 0.0 109.295 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.506 ' CG2' ' HB2' ' A' ' 58' ' ' ALA . 0.3 OUTLIER -117.62 129.67 73.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.622 1.202 . . . . 0.0 109.337 179.914 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.569 ' C ' ' CD1' ' A' ' 44' ' ' TRP . 1.9 m -155.16 154.26 32.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.553 1.158 . . . . 0.0 110.316 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 1.008 ' CZ3' ' HB3' ' A' ' 88' ' ' CYS . 12.7 m95 -144.27 129.69 18.92 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 107.948 -1.13 . . . . 0.0 107.948 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -97.34 113.11 24.7 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.563 1.165 . . . . 0.0 109.394 179.901 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.433 ' HG2' ' N ' ' A' ' 47' ' ' ASP . 23.1 tt0 -101.71 142.11 33.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 110.293 -179.917 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.532 ' CB ' ' HB ' ' A' ' 85' ' ' THR . 0.1 OUTLIER -144.22 99.89 3.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.557 1.161 . . . . 0.0 109.3 -179.969 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.574 ' O ' ' CB ' ' A' ' 49' ' ' GLN . . . 145.58 71.62 0.02 OUTLIER Glycine 0 CA--C 1.531 1.073 0 O-C-N 124.536 1.148 . . . . 0.0 111.025 -179.893 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.574 ' CB ' ' O ' ' A' ' 48' ' ' GLY . 1.3 tp-100 93.24 110.49 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.563 0.802 . . . . 0.0 110.277 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 11.7 p -71.91 41.16 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.129 . . . . 0.0 109.373 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' MET . . . . . 0.546 ' H ' ' C ' ' A' ' 49' ' ' GLN . 0.0 OUTLIER -91.72 112.73 24.77 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.549 1.156 . . . . 0.0 111.073 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -65.47 65.89 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.525 1.141 . . . . 0.0 109.312 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.631 ' CG1' ' O ' ' A' ' 53' ' ' VAL . 0.9 OUTLIER -135.52 9.7 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.448 1.092 . . . . 0.0 109.363 179.957 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.514 ' HB2' ' HB2' ' A' ' 75' ' ' LEU . 7.3 t70 -141.63 88.16 2.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.439 1.087 . . . . 0.0 109.32 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.635 ' CD2' ' N ' ' A' ' 56' ' ' SER . 0.0 OUTLIER -133.72 148.02 51.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 109.244 179.965 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.818 ' HB3' ' CD2' ' A' ' 44' ' ' TRP . 31.2 t -131.11 150.86 51.96 Favored 'General case' 0 N--CA 1.451 -0.397 0 O-C-N 124.343 1.027 . . . . 0.0 110.027 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' THR . . . . . 0.436 ' O ' ' N ' ' A' ' 72' ' ' GLU . 0.1 OUTLIER -138.81 152.87 48.24 Favored 'General case' 0 C--N 1.327 -0.383 0 O-C-N 124.539 1.149 . . . . 0.0 110.332 179.971 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.767 ' HA ' ' O ' ' A' ' 70' ' ' GLN . . . -133.02 152.66 51.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.571 1.169 . . . . 0.0 109.258 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' SER . . . . . 0.513 ' O ' ' HA ' ' A' ' 69' ' ' THR . 3.4 m -109.47 174.3 5.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.433 1.083 . . . . 0.0 109.956 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' THR . . . . . 0.416 ' HB ' HG22 ' A' ' 39' ' ' THR . 1.9 t -105.55 146.95 28.93 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.554 1.159 . . . . 0.0 110.341 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' THR . . . . . 0.483 ' OG1' ' C ' ' A' ' 68' ' ' SER . 0.8 OUTLIER -138.82 163.63 31.72 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.485 1.115 . . . . 0.0 110.336 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -108.98 126.32 52.98 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.555 1.16 . . . . 0.0 110.296 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -127.07 61.54 1.35 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.445 1.091 . . . . 0.0 110.308 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 70.74 -104.8 1.46 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.522 1.139 . . . . 0.0 111.02 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 34.3 tp10 -96.67 -1.65 46.23 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.467 0.746 . . . . 0.0 110.34 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.59 ' HB3' ' HA2' ' A' ' 34' ' ' GLY . 45.7 mt -112.45 -179.23 3.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.113 . . . . 0.0 109.325 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.69 ' CB ' ' O ' ' A' ' 36' ' ' THR . . . -135.4 122.08 20.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.573 1.171 . . . . 0.0 109.216 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' SER . . . . . 0.879 ' HA ' ' CB ' ' A' ' 33' ' ' SER . 10.1 t -92.99 179.04 5.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.434 1.084 . . . . 0.0 110.064 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' THR . . . . . 0.646 ' CB ' ' OH ' ' A' ' 35' ' ' TYR . 1.0 OUTLIER -169.9 132.25 1.11 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.109 . . . . 0.0 110.357 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . 0.767 ' O ' ' HA ' ' A' ' 58' ' ' ALA . 1.7 tp60 -112.63 121.31 44.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.579 1.174 . . . . 0.0 110.271 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.713 ' HA ' ' HA ' ' A' ' 58' ' ' ALA . 0.7 OUTLIER -110.69 146.13 36.78 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.505 1.128 . . . . 0.0 110.009 179.964 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.585 ' HA ' ' HA ' ' A' ' 29' ' ' LEU . 0.0 OUTLIER -135.93 133.35 37.53 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.608 1.193 . . . . 0.0 110.34 -179.966 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.729 ' O ' ' HA ' ' A' ' 27' ' ' GLN . 0.7 OUTLIER -109.71 144.48 38.03 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.414 1.071 . . . . 0.0 109.304 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' THR . . . . . 0.665 ' N ' HD12 ' A' ' 73' ' ' LEU . 1.0 OUTLIER -143.66 123.82 13.71 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 110.407 179.959 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.528 ' CD2' HG21 ' A' ' 26' ' ' ILE . 0.2 OUTLIER -156.08 163.19 39.96 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.454 1.096 . . . . 0.0 109.387 179.956 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' SER . . . . . 0.467 ' N ' HD11 ' A' ' 75' ' ' LEU . 1.1 t -77.41 134.35 38.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.112 . . . . 0.0 110.067 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 7.1 tp60 -61.83 -33.07 73.49 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.537 1.148 . . . . 0.0 110.323 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 18.9 tttt -53.14 -53.78 45.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.125 . . . . 0.0 109.349 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . 0.483 ' HD1' ' NH2' ' A' ' 84' ' ' ARG . 14.3 m-70 -53.35 -41.42 65.78 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.547 1.154 . . . . 0.0 109.633 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' TRP . . . . . 0.806 ' CE3' ' CZ ' ' A' ' 86' ' ' TYR . 7.5 t-105 -59.38 -38.19 79.84 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.56 1.163 . . . . 0.0 107.974 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -57.35 -40.72 78.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.445 1.091 . . . . 0.0 109.3 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' SER . . . . . 0.494 ' O ' ' HB3' ' A' ' 83' ' ' ASP . 0.7 OUTLIER -77.41 6.74 6.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.443 1.089 . . . . 0.0 110.029 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . 0.512 ' CA ' ' HB2' ' A' ' 104' ' ' SER . 0.0 OUTLIER 68.42 148.67 0.06 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.46 1.1 . . . . 0.0 109.278 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . 0.483 ' NH2' ' HD1' ' A' ' 79' ' ' HIS . 0.0 OUTLIER -168.63 -175.8 2.57 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.589 1.181 . . . . 0.0 110.28 179.881 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' THR . . . . . 0.532 ' HB ' ' CB ' ' A' ' 47' ' ' ASP . 1.0 OUTLIER -131.65 99.65 4.86 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.512 1.132 . . . . 0.0 110.337 -179.899 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . 0.806 ' CZ ' ' CE3' ' A' ' 80' ' ' TRP . 0.0 OUTLIER -109.49 121.46 45.25 Favored 'General case' 0 C--N 1.327 -0.402 0 O-C-N 124.504 1.128 . . . . 0.0 110.985 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' THR . . . . . 1.393 ' HA ' ' CB ' ' A' ' 100' ' ' SER . 0.6 OUTLIER -139.42 132.29 29.25 Favored 'General case' 0 C--N 1.323 -0.567 0 O-C-N 124.502 1.127 . . . . 0.0 110.402 179.963 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' CYS . . . . . 1.008 ' HB3' ' CZ3' ' A' ' 44' ' ' TRP . 30.1 p -89.63 96.19 10.59 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.551 1.157 . . . . 0.0 108.31 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . 0.485 ' N ' ' O ' ' A' ' 43' ' ' THR . 2.1 tt0 -88.47 102.16 14.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.485 1.116 . . . . 0.0 110.363 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.647 HG12 ' CZ ' ' A' ' 92' ' ' TYR . 31.2 t -93.86 132.35 38.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.418 1.074 . . . . 0.0 109.302 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' THR . . . . . 0.97 ' O ' ' HB ' ' A' ' 40' ' ' ILE . 0.3 OUTLIER -101.53 163.55 12.21 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.487 1.117 . . . . 0.0 110.331 -179.935 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . 0.777 ' CD2' HG22 ' A' ' 40' ' ' ILE . 3.6 m-85 -144.7 146.83 32.41 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.608 1.193 . . . . 0.0 110.932 -179.916 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -64.68 -6.36 7.68 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.506 1.129 . . . . 0.0 110.325 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -114.56 -20.9 5.65 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.415 1.072 . . . . 0.0 111.075 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . 0.477 ' O ' ' HB2' ' A' ' 92' ' ' TYR . 5.8 t60 -175.15 -158.1 0.07 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.424 0.72 . . . . 0.0 109.553 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 13.4 t -150.14 164.77 34.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 110.369 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . 0.551 ' CE1' HG11 ' A' ' 9' ' ' VAL . 46.5 t80 -168.14 164.99 13.44 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.498 1.124 . . . . 0.0 110.964 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . 0.542 ' N ' ' CD1' ' A' ' 97' ' ' PHE . 28.2 tt0 -156.35 146.47 21.31 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.553 1.158 . . . . 0.0 110.371 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . 0.561 ' O ' ' SG ' ' A' ' 88' ' ' CYS . 5.8 m-20 -160.01 129.93 5.37 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.618 1.199 . . . . 0.0 109.296 -179.904 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' SER . . . . . 1.393 ' CB ' ' HA ' ' A' ' 87' ' ' THR . 2.4 t -170.65 -149.21 0.06 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.477 1.111 . . . . 0.0 110.021 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' THR . . . . . 0.547 HG22 ' CE1' ' A' ' 86' ' ' TYR . 5.0 t -133.25 -177.87 4.72 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.531 1.145 . . . . 0.0 110.385 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . 0.434 ' N ' ' OG1' ' A' ' 101' ' ' THR . 0.0 OUTLIER -151.62 -166.82 2.61 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.566 1.167 . . . . 0.0 109.269 -179.947 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . 0.997 ' HG2' ' N ' ' A' ' 104' ' ' SER . 0.0 OUTLIER 57.6 -176.9 0.07 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.479 1.112 . . . . 0.0 109.22 179.848 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' SER . . . . . 0.997 ' N ' ' HG2' ' A' ' 103' ' ' LYS . 43.0 t -88.21 31.02 0.82 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.453 1.095 . . . . 0.0 110.08 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . 0.531 ' HA ' ' HE1' ' A' ' 80' ' ' TRP . . . . . . . . 0 C--N 1.326 -0.435 0 O-C-N 124.462 1.101 . . . . 0.0 109.377 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 54.7 m . . . . . 0 N--CA 1.453 -0.275 0 N-CA-C 110.001 -0.37 . . . . 0.0 110.001 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -179.46 53.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.107 . . . . 0.0 110.195 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . 0.444 ' O ' ' O ' ' A' ' 4' ' ' PHE . 28.8 t70 -173.43 59.63 0.02 OUTLIER 'General case' 0 C--N 1.322 -0.605 0 O-C-N 124.613 1.196 . . . . 0.0 109.285 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.542 ' CE1' ' OE1' ' A' ' 93' ' ' GLN . 31.1 m-85 43.62 -171.1 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.532 1.145 . . . . 0.0 110.929 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.444 ' CG2' ' HD2' ' A' ' 6' ' ' PRO . 0.2 OUTLIER -85.21 172.55 8.58 Favored Pre-proline 0 C--N 1.326 -0.417 0 O-C-N 124.483 1.115 . . . . 0.0 110.405 179.966 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.444 ' HD2' ' CG2' ' A' ' 5' ' ' THR . 18.4 Cg_endo -74.94 113.08 3.71 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.51 1.795 . . . . 0.0 110.984 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.552 ' HA ' ' HB3' ' A' ' 35' ' ' TYR . 18.1 Cg_endo -75.04 159.59 41.02 Favored 'Trans proline' 0 C--N 1.357 1.023 0 O-C-N 124.563 1.823 . . . . 0.0 110.982 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.494 ' O ' ' HA ' ' A' ' 32' ' ' VAL . 0.0 OUTLIER -156.45 130.81 8.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.459 1.099 . . . . 0.0 110.405 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.703 ' CG2' HG21 ' A' ' 32' ' ' VAL . 2.4 p -132.35 140.6 47.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.537 1.148 . . . . 0.0 109.448 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.507 ' N ' ' O ' ' A' ' 31' ' ' LEU . 5.1 mmtt -138.45 156.68 47.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.294 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.54 ' CD1' ' SG ' ' A' ' 30' ' ' CYS . 0.4 OUTLIER -129.19 111.43 22.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.632 1.207 . . . . 0.0 109.275 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.498 ' CD1' ' CD2' ' A' ' 31' ' ' LEU . 83.1 mt -112.35 132.2 55.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.447 1.092 . . . . 0.0 109.261 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.497 ' HB3' ' CD2' ' A' ' 28' ' ' LEU . 0.0 OUTLIER -105.31 142.36 35.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.568 1.168 . . . . 0.0 110.301 179.964 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.495 ' HB3' ' CB ' ' A' ' 27' ' ' GLN . 0.3 OUTLIER -132.03 71.36 1.47 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.114 . . . . 0.0 110.014 -179.964 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.429 ' O ' ' N ' ' A' ' 17' ' ' ASP . 3.2 t -125.32 167.36 15.02 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.448 1.092 . . . . 0.0 109.912 -179.89 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.405 ' O ' ' O ' ' A' ' 17' ' ' ASP . 4.9 t 69.31 -59.34 0.49 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.441 1.088 . . . . 0.0 110.01 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.506 ' CG ' ' N ' ' A' ' 18' ' ' GLY . 0.1 OUTLIER 54.64 169.26 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.265 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.506 ' N ' ' CG ' ' A' ' 17' ' ' ASP . . . -128.24 167.51 20.45 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.596 1.185 . . . . 0.0 111.071 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 97.97 51.92 1.44 Allowed Glycine 0 CA--C 1.531 1.05 0 N-CA-C 110.933 -0.867 . . . . 0.0 110.933 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 62.04 163.41 0.29 Allowed Glycine 0 CA--C 1.531 1.063 0 N-CA-C 110.929 -0.869 . . . . 0.0 110.929 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . 0.413 ' C ' ' CG ' ' A' ' 22' ' ' PHE . 0.3 OUTLIER 63.88 -175.65 0.16 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.546 0.792 . . . . 0.0 109.631 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.413 ' CG ' ' C ' ' A' ' 21' ' ' HIS . 64.3 m-85 -157.49 142.12 11.93 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 111.002 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -75.0 119.9 5.84 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.527 1.804 . . . . 0.0 110.948 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.401 ' C ' ' HB2' ' A' ' 77' ' ' GLN . 18.4 Cg_endo -75.12 5.1 4.24 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.45 1.763 . . . . 0.0 110.923 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.479 ' CG2' ' HA ' ' A' ' 76' ' ' SER . 2.2 p -136.35 -167.74 2.11 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 110.473 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.728 ' CD1' ' CZ3' ' A' ' 80' ' ' TRP . 1.2 tt -134.25 137.75 51.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.445 1.091 . . . . 0.0 109.304 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.503 ' HA ' ' O ' ' A' ' 73' ' ' LEU . 9.0 mt-30 -120.73 86.8 2.64 Favored 'General case' 0 C--N 1.323 -0.578 0 O-C-N 124.554 1.159 . . . . 0.0 110.332 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.549 ' O ' ' CB ' ' A' ' 73' ' ' LEU . 0.3 OUTLIER -101.86 108.68 20.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.101 . . . . 0.0 109.325 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.734 ' HA ' ' HA ' ' A' ' 72' ' ' GLU . 0.5 OUTLIER -114.13 126.75 55.43 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 0.0 109.363 179.97 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.6 ' SG ' ' CH2' ' A' ' 44' ' ' TRP . 13.2 m -92.55 152.16 19.77 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.534 1.146 . . . . 0.0 108.419 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.507 ' O ' ' N ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -116.08 102.35 9.55 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.445 1.091 . . . . 0.0 109.325 -179.97 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.734 ' CG2' ' HE2' ' A' ' 35' ' ' TYR . 2.0 p -129.49 116.62 39.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 109.273 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.842 ' CB ' ' HA ' ' A' ' 68' ' ' SER . 6.8 p -155.79 -179.45 8.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.553 1.158 . . . . 0.0 109.921 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.499 ' HA2' ' HB3' ' A' ' 66' ' ' LEU . . . 80.91 -45.51 3.18 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.536 1.147 . . . . 0.0 110.928 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.774 ' OH ' ' HB ' ' A' ' 69' ' ' THR . 2.6 p90 -61.85 152.13 32.52 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 0.779 . . . . 0.0 111.008 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.702 ' O ' ' O ' ' A' ' 35' ' ' TYR . 1.9 m 48.98 140.39 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.585 1.178 . . . . 0.0 110.3 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.435 ' C ' ' HB2' ' A' ' 67' ' ' ALA . 18.3 Cg_endo -75.01 -14.07 21.22 Favored 'Trans proline' 0 C--N 1.362 1.24 0 O-C-N 124.396 1.735 . . . . 0.0 110.977 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.659 ' O ' ' CB ' ' A' ' 39' ' ' THR . . . -127.16 6.88 7.21 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.503 1.127 . . . . 0.0 111.053 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.659 ' CB ' ' O ' ' A' ' 38' ' ' GLY . 0.7 OUTLIER 94.32 -169.95 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.499 0.764 . . . . 0.0 110.39 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.931 ' HB ' ' O ' ' A' ' 91' ' ' THR . 0.8 OUTLIER -131.51 -139.88 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 O-C-N 124.548 1.155 . . . . 0.0 109.311 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . 0.438 ' CB ' ' HB ' ' A' ' 91' ' ' THR . 0.3 OUTLIER -116.81 156.67 26.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.55 1.156 . . . . 0.0 109.216 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.561 ' CG2' ' CB ' ' A' ' 58' ' ' ALA . 4.2 mt -119.41 125.9 74.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.463 1.102 . . . . 0.0 109.354 179.854 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.567 ' C ' ' CD1' ' A' ' 44' ' ' TRP . 4.3 m -149.13 162.51 39.82 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.552 1.157 . . . . 0.0 110.426 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 1.013 ' CZ3' ' HB3' ' A' ' 88' ' ' CYS . 20.3 m95 -147.81 131.25 16.67 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.548 1.155 . . . . 0.0 107.983 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.413 ' N ' ' O ' ' A' ' 87' ' ' THR . 13.4 tp -99.5 107.93 20.24 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.526 1.141 . . . . 0.0 109.379 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.514 ' CD ' ' CZ ' ' A' ' 84' ' ' ARG . 0.1 OUTLIER -98.99 151.87 20.44 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 110.306 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.506 ' HB2' ' CG2' ' A' ' 85' ' ' THR . 0.4 OUTLIER -151.56 102.56 2.89 Favored 'General case' 0 C--N 1.327 -0.408 0 O-C-N 124.535 1.147 . . . . 0.0 109.283 179.995 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 146.68 43.76 0.04 OUTLIER Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.432 1.082 . . . . 0.0 110.967 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.405 ' HG2' ' CE ' ' A' ' 51' ' ' MET . 1.4 mt-30 66.64 77.01 0.29 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.459 0.74 . . . . 0.0 110.248 179.896 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 8.7 p -86.36 43.98 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 109.333 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' MET . . . . . 0.405 ' CE ' ' HG2' ' A' ' 49' ' ' GLN . 10.5 ptp -86.32 -26.63 24.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 110.972 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -64.12 -153.05 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.519 1.137 . . . . 0.0 109.273 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.655 ' CG1' ' O ' ' A' ' 53' ' ' VAL . 15.2 t -110.88 28.53 2.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 O-C-N 124.456 1.097 . . . . 0.0 109.29 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.478 ' CB ' ' HB2' ' A' ' 75' ' ' LEU . 0.4 OUTLIER -92.28 98.0 11.23 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.571 1.17 . . . . 0.0 109.292 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.631 ' CD2' ' N ' ' A' ' 56' ' ' SER . 0.0 OUTLIER -138.64 161.07 38.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.217 -179.958 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.804 ' HB2' ' CE2' ' A' ' 44' ' ' TRP . 0.7 OUTLIER -127.29 131.86 50.41 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.413 1.071 . . . . 0.0 109.97 -179.979 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -131.41 159.9 36.66 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.496 1.123 . . . . 0.0 110.404 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.745 ' CB ' ' HA ' ' A' ' 71' ' ' SER . . . -132.51 154.77 49.61 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.392 1.057 . . . . 0.0 109.295 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' SER . . . . . 0.507 ' N ' ' O ' ' A' ' 70' ' ' GLN . 2.2 t -107.14 169.55 8.49 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.471 1.107 . . . . 0.0 109.975 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' THR . . . . . 0.489 HG22 ' CG2' ' A' ' 39' ' ' THR . 2.8 m -107.76 146.48 32.11 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.515 1.134 . . . . 0.0 110.479 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' THR . . . . . 0.535 ' OG1' ' CB ' ' A' ' 68' ' ' SER . 0.6 OUTLIER -137.32 157.75 45.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 110.399 -179.954 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 13.1 pt20 -118.17 134.27 55.16 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 110.288 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 -139.6 63.45 1.49 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.452 1.095 . . . . 0.0 110.202 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 71.79 -106.68 1.97 Allowed Glycine 0 CA--C 1.528 0.862 0 O-C-N 124.576 1.173 . . . . 0.0 111.094 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 9.7 tt0 -96.07 -1.86 47.87 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.416 0.715 . . . . 0.0 110.337 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.499 ' HB3' ' HA2' ' A' ' 34' ' ' GLY . 2.9 mp -105.18 166.34 10.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.105 . . . . 0.0 109.331 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.693 ' CB ' ' O ' ' A' ' 36' ' ' THR . . . -133.43 119.09 19.18 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.515 1.134 . . . . 0.0 109.243 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' SER . . . . . 0.842 ' HA ' ' CB ' ' A' ' 33' ' ' SER . 10.3 t -96.37 175.11 6.55 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.418 1.074 . . . . 0.0 109.979 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' THR . . . . . 0.774 ' HB ' ' OH ' ' A' ' 35' ' ' TYR . 1.2 m -171.38 119.54 0.48 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.491 1.12 . . . . 0.0 110.361 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . 0.61 ' O ' ' HA ' ' A' ' 58' ' ' ALA . 4.9 tt0 -96.73 120.44 37.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.434 1.084 . . . . 0.0 110.291 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.745 ' HA ' ' CB ' ' A' ' 58' ' ' ALA . 0.3 OUTLIER -104.72 140.0 38.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.605 1.191 . . . . 0.0 109.956 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.734 ' HA ' ' HA ' ' A' ' 29' ' ' LEU . 19.1 tt0 -134.38 160.66 37.28 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 110.325 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.672 ' CB ' ' HB3' ' A' ' 56' ' ' SER . 10.5 tt -141.18 139.79 33.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.542 1.151 . . . . 0.0 109.342 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' THR . . . . . 0.424 ' O ' ' HA ' ' A' ' 54' ' ' ASP . 0.0 OUTLIER -139.37 114.52 9.61 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 110.34 -179.946 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.503 ' CD2' HG21 ' A' ' 26' ' ' ILE . 0.1 OUTLIER -141.83 159.17 42.78 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.405 1.066 . . . . 0.0 109.321 179.964 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' SER . . . . . 0.482 ' O ' ' CD1' ' A' ' 75' ' ' LEU . 67.4 m -84.69 138.71 32.5 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.12 . . . . 0.0 110.03 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . 0.401 ' HB2' ' C ' ' A' ' 24' ' ' PRO . 13.9 tm0? -57.28 -28.21 62.81 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.461 1.101 . . . . 0.0 110.303 179.88 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 14.5 tptp -53.12 -58.68 6.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.639 1.212 . . . . 0.0 109.29 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 32.5 m80 -55.82 -41.18 73.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.39 1.056 . . . . 0.0 109.653 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' TRP . . . . . 0.919 ' CZ3' ' CZ ' ' A' ' 86' ' ' TYR . 18.0 t-105 -57.28 -40.6 78.09 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.451 ' C ' ' H ' ' A' ' 83' ' ' ASP . 0.3 OUTLIER -70.15 -40.3 74.83 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.61 1.194 . . . . 0.0 109.291 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -79.78 23.01 0.45 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.904 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . 0.498 ' HB2' ' HA ' ' A' ' 104' ' ' SER . 0.0 OUTLIER 63.22 148.07 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.557 1.161 . . . . 0.0 109.255 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . 0.514 ' CZ ' ' CD ' ' A' ' 46' ' ' GLU . 0.1 OUTLIER -177.33 174.9 1.54 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.457 1.098 . . . . 0.0 110.303 179.967 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' THR . . . . . 0.506 ' CG2' ' HB2' ' A' ' 47' ' ' ASP . 0.9 OUTLIER -135.12 118.89 17.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 110.432 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . 0.919 ' CZ ' ' CZ3' ' A' ' 80' ' ' TRP . 0.0 OUTLIER -121.1 122.43 40.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.422 1.076 . . . . 0.0 110.912 -179.91 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' THR . . . . . 1.403 ' HA ' ' CB ' ' A' ' 100' ' ' SER . 1.1 m -145.15 128.91 17.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.438 1.086 . . . . 0.0 110.384 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' CYS . . . . . 1.013 ' HB3' ' CZ3' ' A' ' 44' ' ' TRP . 13.7 p -94.86 101.4 13.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 108.277 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . 0.452 ' N ' ' O ' ' A' ' 43' ' ' THR . 49.5 tt0 -87.98 104.44 16.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 110.32 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.625 ' CG1' ' CE1' ' A' ' 92' ' ' TYR . 4.0 t -93.4 125.65 45.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.462 1.101 . . . . 0.0 109.293 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' THR . . . . . 0.931 ' O ' ' HB ' ' A' ' 40' ' ' ILE . 1.0 OUTLIER -96.03 165.4 12.27 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.58 1.175 . . . . 0.0 110.366 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . 0.773 ' CE1' HD13 ' A' ' 40' ' ' ILE . 25.0 m-85 -145.8 140.65 27.26 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.482 1.114 . . . . 0.0 110.946 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . 0.542 ' OE1' ' CE1' ' A' ' 4' ' ' PHE . 3.4 pt20 -56.42 -11.58 1.31 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.425 1.078 . . . . 0.0 110.261 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . 0.406 ' N ' ' C ' ' A' ' 92' ' ' TYR . . . -109.37 -28.37 4.37 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.502 1.126 . . . . 0.0 111.105 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . 0.504 ' O ' ' N ' ' A' ' 92' ' ' TYR . 1.1 t-160 -167.83 -151.5 0.11 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 0.766 . . . . 0.0 109.625 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 6.0 t -155.06 161.54 41.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.549 1.155 . . . . 0.0 110.38 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . 0.591 ' CD2' HG13 ' A' ' 9' ' ' VAL . 73.1 t80 -155.99 168.5 27.06 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.579 1.175 . . . . 0.0 110.925 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . 0.486 ' HG2' ' CG2' ' A' ' 87' ' ' THR . 25.2 tt0 -144.81 142.98 30.4 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.513 1.133 . . . . 0.0 110.346 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . 0.561 ' O ' ' SG ' ' A' ' 88' ' ' CYS . 0.1 OUTLIER -155.99 119.89 4.45 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.548 1.155 . . . . 0.0 109.334 179.882 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' SER . . . . . 1.403 ' CB ' ' HA ' ' A' ' 87' ' ' THR . 0.8 OUTLIER -170.74 -151.36 0.08 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 0.0 110.011 -179.938 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' THR . . . . . 0.552 HG22 ' CE1' ' A' ' 86' ' ' TYR . 4.4 t -142.64 -179.7 6.47 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.48 1.113 . . . . 0.0 110.42 -179.892 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . 0.432 ' N ' ' OG1' ' A' ' 101' ' ' THR . 5.0 pttp -162.62 143.94 10.2 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.527 1.142 . . . . 0.0 109.299 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . 0.911 ' HZ3' ' HE1' ' A' ' 80' ' ' TRP . 0.0 OUTLIER -148.92 166.84 27.39 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 0.0 109.314 -179.992 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' SER . . . . . 0.498 ' HA ' ' HB2' ' A' ' 83' ' ' ASP . 8.4 t -134.56 43.77 2.73 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.551 1.157 . . . . 0.0 109.97 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . 0.435 ' H ' ' CG ' ' A' ' 103' ' ' LYS . . . . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.501 1.126 . . . . 0.0 109.325 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.551 ' O ' ' HA ' ' A' ' 32' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.269 0 N-CA-C 110.343 -0.243 . . . . 0.0 110.343 . . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.717 HG23 ' HB ' ' A' ' 32' ' ' VAL . 2.5 p -129.22 145.81 35.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.544 1.153 . . . . 0.0 109.341 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.55 ' HB2' ' CD1' ' A' ' 31' ' ' LEU . 0.0 OUTLIER -134.23 166.83 21.88 Favored 'General case' 0 C--N 1.323 -0.565 0 O-C-N 124.568 1.168 . . . . 0.0 109.323 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.582 HD12 ' OE1' ' A' ' 13' ' ' GLN . 0.0 OUTLIER -130.12 120.59 49.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 109.39 -179.928 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.693 ' HB2' HD12 ' A' ' 29' ' ' LEU . 22.3 mt -123.16 129.31 51.25 Favored 'General case' 0 C--N 1.323 -0.583 0 O-C-N 124.584 1.178 . . . . 0.0 109.3 -179.899 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' GLN . . . . . 0.592 ' HB3' HD23 ' A' ' 28' ' ' LEU . 0.0 OUTLIER -106.94 140.52 39.62 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.554 1.159 . . . . 0.0 110.299 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.459 ' HB3' ' CB ' ' A' ' 27' ' ' GLN . 0.1 OUTLIER -134.23 75.43 1.59 Allowed 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.41 1.069 . . . . 0.0 110.073 179.919 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 23.5 p . . . . . 0 C--N 1.326 -0.414 0 O-C-N 124.543 1.152 . . . . 0.0 109.935 -179.988 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.404 ' HA ' ' N ' ' A' ' 77' ' ' GLN . 53.0 p . . . . . 0 N--CA 1.454 -0.27 0 N-CA-C 110.431 -0.211 . . . . 0.0 110.431 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.905 HD12 ' CE3' ' A' ' 80' ' ' TRP . 0.1 OUTLIER -134.0 131.75 55.96 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 O-C-N 124.674 1.234 . . . . 0.0 109.357 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.595 ' HA ' ' O ' ' A' ' 73' ' ' LEU . 0.7 OUTLIER -117.86 81.58 1.69 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.621 1.2 . . . . 0.0 110.276 -179.931 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.903 HD11 HD13 ' A' ' 26' ' ' ILE . 1.6 mt -96.39 103.42 15.32 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.58 1.175 . . . . 0.0 109.272 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.713 ' HA ' ' HA ' ' A' ' 72' ' ' GLU . 2.0 pp -111.73 125.83 54.4 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.496 1.123 . . . . 0.0 109.323 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.501 ' HB2' ' HB2' ' A' ' 71' ' ' SER . 33.0 m -92.29 155.55 17.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.61 1.193 . . . . 0.0 108.192 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.829 HD22 ' C ' ' A' ' 31' ' ' LEU . 0.0 OUTLIER -115.98 103.87 11.02 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.567 1.167 . . . . 0.0 109.375 179.954 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 1.116 HG22 ' CE2' ' A' ' 35' ' ' TYR . 1.6 p -127.55 116.87 45.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.599 1.187 . . . . 0.0 109.347 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.853 ' CB ' ' HA ' ' A' ' 68' ' ' SER . 56.4 p -151.86 -179.05 7.12 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.442 1.089 . . . . 0.0 110.112 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.511 ' HA2' ' CB ' ' A' ' 66' ' ' LEU . . . 83.3 -49.88 4.31 Favored Glycine 0 CA--C 1.532 1.125 0 O-C-N 124.505 1.128 . . . . 0.0 110.951 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 1.116 ' CE2' HG22 ' A' ' 32' ' ' VAL . 4.7 p90 -62.24 153.05 31.71 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.563 0.802 . . . . 0.0 110.998 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.673 HG21 ' O ' ' A' ' 39' ' ' THR . 2.9 m 50.18 144.93 0.02 OUTLIER Pre-proline 0 C--N 1.324 -0.531 0 O-C-N 124.667 1.229 . . . . 0.0 110.446 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.658 ' HD2' HG22 ' A' ' 36' ' ' THR . 18.1 Cg_endo -75.02 -16.89 19.91 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.64 1.863 . . . . 0.0 111.004 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.604 ' O ' ' CB ' ' A' ' 39' ' ' THR . . . -121.22 -49.53 0.27 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.503 1.127 . . . . 0.0 110.994 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.697 ' OG1' HG23 ' A' ' 60' ' ' THR . 1.0 OUTLIER 159.2 171.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.456 0.739 . . . . 0.0 110.334 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.91 ' HB ' ' O ' ' A' ' 91' ' ' THR . 1.0 OUTLIER -111.75 -139.38 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.589 1.181 . . . . 0.0 109.272 -179.902 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ASN . . . . . 0.572 ' O ' HD13 ' A' ' 42' ' ' ILE . 0.2 OUTLIER -111.15 155.22 23.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.623 1.202 . . . . 0.0 109.356 179.895 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.827 HG21 ' CB ' ' A' ' 58' ' ' ALA . 3.6 mm -122.17 121.57 64.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 109.306 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.481 ' C ' ' CD1' ' A' ' 44' ' ' TRP . 2.4 m -155.56 157.53 36.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.44 1.087 . . . . 0.0 110.509 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 1.039 ' CZ3' ' HB3' ' A' ' 88' ' ' CYS . 13.8 m95 -140.13 128.08 22.1 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 108.056 -1.091 . . . . 0.0 108.056 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -86.5 110.27 19.65 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.502 1.126 . . . . 0.0 109.277 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -99.38 140.32 33.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.441 1.088 . . . . 0.0 110.362 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.507 ' CB ' ' HB ' ' A' ' 85' ' ' THR . 0.3 OUTLIER . . . . . 0 C--N 1.326 -0.439 0 O-C-N 124.533 1.146 . . . . 0.0 109.318 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.465 ' CB ' ' HB2' ' A' ' 75' ' ' LEU . 1.2 p-10 . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.23 -0.656 . . . . 0.0 109.23 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 1.126 HD22 ' N ' ' A' ' 56' ' ' SER . 0.0 OUTLIER -137.48 159.36 42.16 Favored 'General case' 0 C--N 1.327 -0.397 0 O-C-N 124.429 1.081 . . . . 0.0 109.258 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 56' ' ' SER . . . . . 1.126 ' N ' HD22 ' A' ' 55' ' ' LEU . 0.0 OUTLIER -123.32 130.63 52.99 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.446 1.091 . . . . 0.0 110.056 -179.963 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.464 ' O ' ' N ' ' A' ' 72' ' ' GLU . 0.2 OUTLIER -130.64 157.69 42.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.115 . . . . 0.0 110.371 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.827 ' CB ' HG21 ' A' ' 42' ' ' ILE . . . -128.9 153.15 47.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.396 1.06 . . . . 0.0 109.369 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' SER . . . . . 0.573 ' N ' ' O ' ' A' ' 70' ' ' GLN . 0.0 OUTLIER -105.11 164.62 11.68 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 0.0 109.923 -179.943 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 60' ' ' THR . . . . . 0.697 HG23 ' OG1' ' A' ' 39' ' ' THR . 2.4 m -107.63 141.48 39.05 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 110.382 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' THR . . . . . 0.824 ' OG1' ' O ' ' A' ' 68' ' ' SER . 0.0 OUTLIER -144.1 160.36 41.05 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.556 1.16 . . . . 0.0 110.465 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 15.0 pt20 -104.98 130.32 53.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.399 1.062 . . . . 0.0 110.148 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -126.91 60.59 1.36 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.567 1.167 . . . . 0.0 110.322 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 72.09 -105.77 1.77 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.379 1.05 . . . . 0.0 110.864 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -98.8 -1.1 41.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.439 0.729 . . . . 0.0 110.311 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.511 ' CB ' ' HA2' ' A' ' 34' ' ' GLY . 0.1 OUTLIER -111.86 179.41 4.02 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.579 1.175 . . . . 0.0 109.274 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.641 ' HB3' ' O ' ' A' ' 36' ' ' THR . . . -128.42 120.09 26.24 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.444 1.09 . . . . 0.0 109.412 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' SER . . . . . 0.853 ' HA ' ' CB ' ' A' ' 33' ' ' SER . 23.1 t -104.13 120.34 40.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.639 1.212 . . . . 0.0 109.905 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.812 ' HB ' ' OH ' ' A' ' 35' ' ' TYR . 0.8 OUTLIER -123.01 118.51 27.94 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.399 1.062 . . . . 0.0 110.412 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.601 ' O ' ' HA ' ' A' ' 58' ' ' ALA . 7.8 pt20 -91.71 126.22 36.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.377 1.048 . . . . 0.0 110.256 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.737 ' HA ' ' CB ' ' A' ' 58' ' ' ALA . 0.8 OUTLIER -106.86 140.91 38.94 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.437 1.086 . . . . 0.0 110.14 179.955 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.713 ' HA ' ' HA ' ' A' ' 29' ' ' LEU . 0.5 OUTLIER -134.02 155.24 50.34 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.1 . . . . 0.0 110.286 -179.963 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 1.036 HD12 ' CE3' ' A' ' 44' ' ' TRP . 9.1 tt -134.26 138.13 44.82 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.542 1.151 . . . . 0.0 109.377 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.432 ' O ' ' HA ' ' A' ' 54' ' ' ASP . 0.0 OUTLIER -137.05 116.13 12.45 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.381 1.051 . . . . 0.0 110.467 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.816 HD12 ' O ' ' A' ' 76' ' ' SER . 0.4 OUTLIER -142.84 145.29 33.03 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.559 1.162 . . . . 0.0 109.36 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 76' ' ' SER . . . . . 0.816 ' O ' HD12 ' A' ' 75' ' ' LEU . 5.1 t -66.53 136.47 55.7 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.448 1.092 . . . . 0.0 109.965 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' GLN . . . . . 0.404 ' N ' ' HA ' ' A' ' 25' ' ' THR . 8.6 tp60 -57.71 -32.5 67.44 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 110.37 179.882 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 9.5 tttp -52.86 -51.3 61.55 Favored 'General case' 0 C--N 1.323 -0.563 0 O-C-N 124.6 1.187 . . . . 0.0 109.274 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' HIS . . . . . 0.582 ' CE1' HH21 ' A' ' 84' ' ' ARG . 3.4 m170 -58.69 -39.72 81.53 Favored 'General case' 0 N--CA 1.45 -0.435 0 O-C-N 124.577 1.173 . . . . 0.0 109.753 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 80' ' ' TRP . . . . . 0.905 ' CE3' HD12 ' A' ' 26' ' ' ILE . 28.2 t-105 -60.86 -33.77 73.59 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 107.994 -1.113 . . . . 0.0 107.994 179.902 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 4.4 tt -65.6 -38.61 89.97 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.452 1.095 . . . . 0.0 109.295 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 3.2 m -78.09 6.11 8.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.654 1.221 . . . . 0.0 109.918 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' ASP . . . . . 0.493 ' O ' ' HD2' ' A' ' 84' ' ' ARG . 0.0 OUTLIER 66.88 151.46 0.07 Allowed 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.463 1.102 . . . . 0.0 109.438 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.582 HH21 ' CE1' ' A' ' 79' ' ' HIS . 0.6 OUTLIER -173.11 -173.87 0.99 Allowed 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.613 1.196 . . . . 0.0 110.351 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 85' ' ' THR . . . . . 0.507 ' HB ' ' CB ' ' A' ' 47' ' ' ASP . 0.9 OUTLIER -138.65 103.46 4.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.39 1.056 . . . . 0.0 110.451 179.972 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 86' ' ' TYR . . . . . 0.857 ' CE1' ' CZ3' ' A' ' 80' ' ' TRP . 0.0 OUTLIER -107.97 135.49 49.26 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.508 1.13 . . . . 0.0 110.942 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 87' ' ' THR . . . . . 1.167 ' HA ' ' CB ' ' A' ' 100' ' ' SER . 0.2 OUTLIER -149.29 124.79 10.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.353 1.033 . . . . 0.0 110.417 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 88' ' ' CYS . . . . . 1.039 ' HB3' ' CZ3' ' A' ' 44' ' ' TRP . 9.9 p -83.51 97.56 9.08 Favored 'General case' 0 C--N 1.323 -0.583 0 O-C-N 124.475 1.109 . . . . 0.0 108.259 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 89' ' ' GLN . . . . . 0.543 ' HA ' ' O ' ' A' ' 97' ' ' PHE . 19.6 tt0 -89.48 103.24 15.9 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.568 1.168 . . . . 0.0 110.305 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 1.026 HG11 HG21 ' A' ' 32' ' ' VAL . 4.1 t -94.76 125.7 47.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.614 1.196 . . . . 0.0 109.283 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 91' ' ' THR . . . . . 0.91 ' O ' ' HB ' ' A' ' 40' ' ' ILE . 0.9 OUTLIER -97.84 169.09 9.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.386 1.054 . . . . 0.0 110.421 179.954 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 92' ' ' TYR . . . . . 0.902 ' CE1' HG12 ' A' ' 90' ' ' VAL . 18.3 m-85 -145.9 159.16 43.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 0.0 111.088 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 93' ' ' GLN . . . . . 0.479 ' CD ' HG23 ' A' ' 36' ' ' THR . 2.6 mt-30 -45.8 -27.57 0.87 Allowed 'General case' 0 C--N 1.322 -0.613 0 O-C-N 124.511 1.132 . . . . 0.0 110.248 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -157.7 35.76 0.54 Allowed Glycine 0 CA--C 1.529 0.913 0 O-C-N 124.502 1.126 . . . . 0.0 110.975 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 95' ' ' HIS . . . . . 0.479 ' CA ' ' HB2' ' A' ' 92' ' ' TYR . 2.0 t-80 -159.55 173.46 16.12 Favored 'General case' 0 N--CA 1.45 -0.441 0 O-C-N 124.374 0.691 . . . . 0.0 109.605 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 6.1 t -160.58 166.12 29.56 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.64 1.212 . . . . 0.0 110.445 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 97' ' ' PHE . . . . . 0.652 ' CD1' HG11 ' A' ' 9' ' ' VAL . 2.3 t80 -169.1 167.94 10.26 Favored 'General case' 0 C--N 1.323 -0.564 0 O-C-N 124.471 1.107 . . . . 0.0 111.001 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 98' ' ' GLU . . . . . 0.52 ' HG2' ' CG2' ' A' ' 87' ' ' THR . 8.6 tt0 -156.59 129.07 7.59 Favored 'General case' 0 C--N 1.323 -0.558 0 O-C-N 124.463 1.102 . . . . 0.0 110.324 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 99' ' ' ASP . . . . . 0.624 ' O ' ' SG ' ' A' ' 88' ' ' CYS . 66.7 m-20 -154.51 126.74 7.83 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.15 . . . . 0.0 109.276 179.873 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 100' ' ' SER . . . . . 1.167 ' CB ' ' HA ' ' A' ' 87' ' ' THR . 46.6 t -166.52 -142.01 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.335 1.022 . . . . 0.0 110.043 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 101' ' ' THR . . . . . 0.77 HG23 ' CD1' ' A' ' 86' ' ' TYR . 9.2 t -133.41 176.61 8.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.457 1.098 . . . . 0.0 110.411 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.516 0 O-C-N 124.576 1.172 . . . . 0.0 109.358 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.571 ' O ' ' HA ' ' A' ' 32' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.247 0 CA-C-O 120.518 0.199 . . . . 0.0 110.528 . . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.718 HG11 ' CG ' ' A' ' 97' ' ' PHE . 5.0 p -135.39 135.31 51.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 O-C-N 124.472 1.107 . . . . 0.0 109.265 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.788 ' CG ' HD12 ' A' ' 31' ' ' LEU . 11.1 mmmt -141.16 174.42 10.54 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.565 1.166 . . . . 0.0 109.384 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.552 ' CG1' ' O ' ' A' ' 99' ' ' ASP . 0.2 OUTLIER -128.47 126.89 66.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 O-C-N 124.404 1.065 . . . . 0.0 109.354 179.906 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.628 ' HB2' HD12 ' A' ' 29' ' ' LEU . 46.8 mt -120.87 127.4 51.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.454 1.096 . . . . 0.0 109.279 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -107.29 140.07 40.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.442 1.088 . . . . 0.0 110.386 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.491 ' HB3' ' CB ' ' A' ' 27' ' ' GLN . 0.2 OUTLIER -132.04 69.8 1.47 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.417 1.073 . . . . 0.0 109.961 -179.884 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 44.0 p . . . . . 0 C--N 1.326 -0.416 0 O-C-N 124.433 1.083 . . . . 0.0 110.005 -179.934 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 29.7 p . . . . . 0 N--CA 1.453 -0.3 0 CA-C-O 120.622 0.249 . . . . 0.0 110.381 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.936 HD12 ' CE3' ' A' ' 80' ' ' TRP . 0.4 OUTLIER -137.68 130.89 42.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 O-C-N 124.442 1.089 . . . . 0.0 109.293 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.526 ' HA ' ' O ' ' A' ' 73' ' ' LEU . 0.3 OUTLIER -117.59 86.07 2.45 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.57 1.169 . . . . 0.0 110.362 179.948 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.913 HD11 HD13 ' A' ' 26' ' ' ILE . 2.9 mt -101.11 105.76 16.95 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.558 1.161 . . . . 0.0 109.282 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.81 ' HA ' ' HA ' ' A' ' 72' ' ' GLU . 0.3 OUTLIER -110.36 134.76 51.98 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.528 1.142 . . . . 0.0 109.339 179.918 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.496 ' SG ' ' O ' ' A' ' 10' ' ' LYS . 0.1 OUTLIER -90.74 162.52 14.85 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.474 1.109 . . . . 0.0 108.387 179.927 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 1.01 ' O ' HD13 ' A' ' 31' ' ' LEU . 0.2 OUTLIER -127.65 102.65 6.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.605 1.191 . . . . 0.0 109.246 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 1.185 HG22 ' CE2' ' A' ' 35' ' ' TYR . 1.5 p -136.58 110.78 9.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 O-C-N 124.53 1.143 . . . . 0.0 109.227 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.863 ' CB ' ' HA ' ' A' ' 68' ' ' SER . 17.8 p -150.35 -179.03 6.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.581 1.176 . . . . 0.0 109.955 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.701 ' HA2' ' HB2' ' A' ' 66' ' ' LEU . . . 80.48 -46.66 3.3 Favored Glycine 0 CA--C 1.529 0.925 0 O-C-N 124.43 1.081 . . . . 0.0 111.009 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 1.185 ' CE2' HG22 ' A' ' 32' ' ' VAL . 14.7 p90 -65.67 152.43 44.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 0.752 . . . . 0.0 110.988 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.76 HG21 ' O ' ' A' ' 39' ' ' THR . 4.1 m 49.56 139.64 0.01 OUTLIER Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.59 1.181 . . . . 0.0 110.376 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.458 ' HD3' ' HA ' ' A' ' 36' ' ' THR . 17.9 Cg_endo -75.09 -14.44 20.95 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.498 1.788 . . . . 0.0 110.981 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.655 ' O ' ' CB ' ' A' ' 39' ' ' THR . . . -125.42 0.17 8.04 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.528 1.142 . . . . 0.0 110.984 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.76 ' O ' HG21 ' A' ' 36' ' ' THR . 0.7 OUTLIER 95.12 -168.24 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.451 0.736 . . . . 0.0 110.363 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.901 ' HB ' ' O ' ' A' ' 91' ' ' THR . 1.3 pt -128.47 -142.23 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.49 1.119 . . . . 0.0 109.394 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ASN . . . . . 0.404 ' HB3' ' HB ' ' A' ' 91' ' ' THR . 58.8 t30 -108.58 153.6 23.15 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.31 1.006 . . . . 0.0 109.319 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.969 HG21 ' HB3' ' A' ' 58' ' ' ALA . 7.1 mt -117.33 128.02 74.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.552 1.157 . . . . 0.0 109.291 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.486 ' C ' ' CD1' ' A' ' 44' ' ' TRP . 7.6 m -157.65 163.65 38.01 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.112 . . . . 0.0 110.44 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 1.009 ' CZ3' ' HB3' ' A' ' 88' ' ' CYS . 19.2 m95 -143.0 130.65 21.34 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 124.516 1.135 . . . . 0.0 108.035 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.616 HD23 ' OE2' ' A' ' 98' ' ' GLU . 8.2 tp -84.32 104.79 14.64 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.617 1.198 . . . . 0.0 109.338 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.459 ' HG2' ' NH1' ' A' ' 84' ' ' ARG . 5.6 tm-20 -98.43 142.12 30.45 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.469 1.105 . . . . 0.0 110.339 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.53 ' CB ' ' HB ' ' A' ' 85' ' ' THR . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 109.425 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.528 ' HA ' ' O ' ' A' ' 74' ' ' THR . 1.1 t0 . . . . . 0 N--CA 1.451 -0.395 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 1.132 HD22 ' N ' ' A' ' 56' ' ' SER . 0.0 OUTLIER -140.0 163.35 32.92 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 109.397 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 56' ' ' SER . . . . . 1.132 ' N ' HD22 ' A' ' 55' ' ' LEU . 0.0 OUTLIER -127.92 133.81 49.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.564 1.165 . . . . 0.0 110.002 -179.939 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -133.34 156.71 47.13 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.523 1.139 . . . . 0.0 110.374 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.969 ' HB3' HG21 ' A' ' 42' ' ' ILE . . . -133.69 150.71 51.54 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.673 1.233 . . . . 0.0 109.352 179.843 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' SER . . . . . 0.635 ' O ' ' HA ' ' A' ' 69' ' ' THR . 0.4 OUTLIER -109.84 146.4 35.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 0.0 110.011 179.954 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 60' ' ' THR . . . . . 0.416 ' CB ' HG21 ' A' ' 39' ' ' THR . 2.0 t -104.63 144.29 31.91 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.396 1.06 . . . . 0.0 110.472 179.883 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' THR . . . . . 0.716 ' OG1' ' O ' ' A' ' 68' ' ' SER . 1.2 p -138.86 159.44 42.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 110.41 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 34.2 tt0 -100.73 121.71 42.13 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.367 1.042 . . . . 0.0 110.248 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.585 ' O ' ' HG ' ' A' ' 66' ' ' LEU . 1.0 OUTLIER -120.33 60.82 0.87 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 0.0 110.247 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 75.66 -102.84 1.56 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.377 1.048 . . . . 0.0 110.981 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -101.87 -1.65 31.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 0.784 . . . . 0.0 110.277 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.701 ' HB2' ' HA2' ' A' ' 34' ' ' GLY . 0.3 OUTLIER -112.23 177.91 4.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 109.364 179.919 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.717 ' CB ' ' O ' ' A' ' 36' ' ' THR . . . -135.81 121.12 19.12 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.458 1.099 . . . . 0.0 109.203 -179.884 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' SER . . . . . 0.863 ' HA ' ' CB ' ' A' ' 33' ' ' SER . 19.1 t -101.98 118.77 37.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.954 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.635 ' HA ' ' O ' ' A' ' 59' ' ' SER . 0.9 OUTLIER -123.76 113.9 19.19 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.53 1.144 . . . . 0.0 110.424 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.564 ' O ' ' HA ' ' A' ' 58' ' ' ALA . 6.0 pt20 -97.78 125.81 42.8 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.625 1.203 . . . . 0.0 110.31 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.823 ' HA ' ' CB ' ' A' ' 58' ' ' ALA . 0.7 OUTLIER -104.97 151.6 23.71 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.506 1.128 . . . . 0.0 110.035 179.983 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.81 ' HA ' ' HA ' ' A' ' 29' ' ' LEU . 1.5 mt-10 -143.09 155.07 44.53 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.428 1.08 . . . . 0.0 110.316 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.934 HD13 ' OG ' ' A' ' 56' ' ' SER . 11.4 tp -134.43 143.47 47.58 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.474 1.109 . . . . 0.0 109.413 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.825 ' H ' HD12 ' A' ' 73' ' ' LEU . 0.1 OUTLIER -141.62 117.02 10.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.456 1.098 . . . . 0.0 110.345 -179.94 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.847 HD13 HH21 ' A' ' 84' ' ' ARG . 0.1 OUTLIER -145.28 158.81 43.74 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.462 1.101 . . . . 0.0 109.313 179.934 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 76' ' ' SER . . . . . 0.484 ' N ' HD12 ' A' ' 75' ' ' LEU . 38.7 t -77.56 136.26 38.27 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.473 1.108 . . . . 0.0 110.065 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' GLN . . . . . 0.411 ' O ' ' HB3' ' A' ' 80' ' ' TRP . 0.0 OUTLIER -59.14 -34.59 72.25 Favored 'General case' 0 C--N 1.327 -0.399 0 O-C-N 124.521 1.138 . . . . 0.0 110.38 179.968 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 19.1 tttm -53.36 -51.09 63.59 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.42 1.075 . . . . 0.0 109.316 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -56.72 -38.28 72.13 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 124.608 1.193 . . . . 0.0 109.691 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' TRP . . . . . 0.936 ' CE3' HD12 ' A' ' 26' ' ' ILE . 13.1 t-105 -60.01 -33.86 72.56 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.547 1.154 . . . . 0.0 108.026 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 1.1 mt -65.36 -38.92 91.54 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.512 1.132 . . . . 0.0 109.325 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' SER . . . . . 0.501 ' O ' ' HB3' ' A' ' 83' ' ' ASP . 0.2 OUTLIER -79.4 8.22 6.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.597 1.185 . . . . 0.0 109.987 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 83' ' ' ASP . . . . . 0.501 ' HB3' ' O ' ' A' ' 82' ' ' SER . 0.0 OUTLIER 69.1 149.14 0.07 Allowed 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.561 1.163 . . . . 0.0 109.309 179.949 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.847 HH21 HD13 ' A' ' 75' ' ' LEU . 8.7 ttp85 -170.4 178.05 3.86 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.432 1.082 . . . . 0.0 110.318 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 85' ' ' THR . . . . . 0.53 ' HB ' ' CB ' ' A' ' 47' ' ' ASP . 1.2 m -132.09 97.83 4.26 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.116 . . . . 0.0 110.495 -179.911 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 86' ' ' TYR . . . . . 0.869 ' CZ ' ' CE3' ' A' ' 80' ' ' TRP . 0.0 OUTLIER -114.12 119.54 37.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.573 1.171 . . . . 0.0 110.939 -179.886 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 87' ' ' THR . . . . . 1.387 ' HA ' ' CB ' ' A' ' 100' ' ' SER . 0.9 OUTLIER -139.69 141.59 36.96 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 110.295 -179.951 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 88' ' ' CYS . . . . . 1.009 ' HB3' ' CZ3' ' A' ' 44' ' ' TRP . 29.6 p -94.36 100.25 12.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.596 1.185 . . . . 0.0 108.349 179.827 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 89' ' ' GLN . . . . . 0.481 ' H ' ' HA ' ' A' ' 44' ' ' TRP . 25.8 tt0 -94.62 104.82 16.76 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.676 1.235 . . . . 0.0 110.317 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 1.039 HG11 HG21 ' A' ' 32' ' ' VAL . 0.5 OUTLIER -100.18 122.04 51.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.521 1.138 . . . . 0.0 109.257 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 91' ' ' THR . . . . . 0.901 ' O ' ' HB ' ' A' ' 40' ' ' ILE . 0.6 OUTLIER -94.52 166.39 12.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.13 . . . . 0.0 110.295 -179.959 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 92' ' ' TYR . . . . . 0.882 ' CD1' HD12 ' A' ' 40' ' ' ILE . 31.6 m-85 -134.43 157.04 47.47 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 111.057 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -49.37 -21.82 0.97 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.535 1.147 . . . . 0.0 110.36 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -157.16 35.19 0.56 Allowed Glycine 0 CA--C 1.528 0.896 0 O-C-N 124.456 1.098 . . . . 0.0 111.054 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 95' ' ' HIS . . . . . 0.472 ' CA ' ' HB2' ' A' ' 92' ' ' TYR . 5.6 t60 -162.7 177.83 9.02 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.487 0.757 . . . . 0.0 109.566 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 13.3 t -160.94 152.98 19.95 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 110.392 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 97' ' ' PHE . . . . . 0.718 ' CG ' HG11 ' A' ' 9' ' ' VAL . 3.4 t80 -161.42 158.64 27.07 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.619 1.199 . . . . 0.0 110.998 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 98' ' ' GLU . . . . . 0.616 ' OE2' HD23 ' A' ' 45' ' ' LEU . 3.5 tt0 -156.11 133.07 10.51 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.584 1.177 . . . . 0.0 110.355 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 99' ' ' ASP . . . . . 0.588 ' O ' ' SG ' ' A' ' 88' ' ' CYS . 0.7 OUTLIER -158.03 130.93 7.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.661 1.225 . . . . 0.0 109.387 -179.955 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 100' ' ' SER . . . . . 1.387 ' CB ' ' HA ' ' A' ' 87' ' ' THR . 7.8 t -171.82 -143.27 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.549 1.155 . . . . 0.0 110.05 -179.846 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 101' ' ' THR . . . . . 0.845 HG23 ' CD1' ' A' ' 86' ' ' TYR . 3.7 t -134.5 -176.15 4.12 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.292 0.995 . . . . 0.0 110.419 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 102' ' ' LYS . . . . . 0.488 ' N ' ' OG1' ' A' ' 101' ' ' THR . 16.3 pttt . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.586 1.179 . . . . 0.0 109.275 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.661 ' O ' ' HA ' ' A' ' 32' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.349 0 N-CA-C 110.43 -0.211 . . . . 0.0 110.43 . . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.72 HG11 ' CD2' ' A' ' 97' ' ' PHE . 6.9 p -131.36 137.8 54.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.592 1.183 . . . . 0.0 109.394 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.555 ' HB2' ' CD1' ' A' ' 31' ' ' LEU . 24.8 mttt -142.96 165.71 26.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.613 1.196 . . . . 0.0 109.253 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.588 HD13 ' SG ' ' A' ' 30' ' ' CYS . 4.4 tp -126.57 117.21 47.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.384 1.053 . . . . 0.0 109.262 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.725 ' HB2' HD12 ' A' ' 29' ' ' LEU . 47.9 mt -113.13 129.52 56.48 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.505 1.128 . . . . 0.0 109.268 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' GLN . . . . . 0.52 ' HB3' HD22 ' A' ' 28' ' ' LEU . 0.0 OUTLIER -106.31 138.95 41.57 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.422 1.076 . . . . 0.0 110.372 179.917 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.469 ' HB3' ' CB ' ' A' ' 27' ' ' GLN . 0.2 OUTLIER -132.61 71.59 1.47 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.496 1.122 . . . . 0.0 110.037 179.919 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 8.4 t . . . . . 0 C--N 1.327 -0.411 0 O-C-N 124.414 1.071 . . . . 0.0 109.988 -179.982 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.825 HG22 ' HA ' ' A' ' 76' ' ' SER . 67.5 p . . . . . 0 N--CA 1.455 -0.189 0 N-CA-C 110.355 -0.239 . . . . 0.0 110.355 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.945 HD13 HD11 ' A' ' 28' ' ' LEU . 2.6 tt -109.85 133.81 53.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.417 1.073 . . . . 0.0 109.212 -179.845 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.469 ' CB ' ' HB3' ' A' ' 14' ' ' SER . 4.2 mt-30 -118.19 77.7 1.18 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.598 1.186 . . . . 0.0 110.34 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.945 HD11 HD13 ' A' ' 26' ' ' ILE . 3.5 mt -96.39 106.45 18.68 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.494 1.121 . . . . 0.0 109.414 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.725 HD12 ' HB2' ' A' ' 12' ' ' LEU . 0.5 OUTLIER -115.48 131.83 56.81 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 109.325 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.588 ' SG ' HD13 ' A' ' 11' ' ' ILE . 1.1 m -90.62 168.04 12.09 Favored 'General case' 0 C--N 1.327 -0.379 0 O-C-N 124.529 1.143 . . . . 0.0 108.229 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.877 HD22 ' C ' ' A' ' 31' ' ' LEU . 0.0 OUTLIER -128.42 97.91 4.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.464 1.102 . . . . 0.0 109.354 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 1.137 HG22 ' CE2' ' A' ' 35' ' ' TYR . 1.4 p -129.93 106.8 13.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 O-C-N 124.535 1.147 . . . . 0.0 109.319 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.923 ' CB ' ' HA ' ' A' ' 68' ' ' SER . 8.3 p -148.86 -178.04 6.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.387 1.055 . . . . 0.0 109.89 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.634 ' HA2' ' HB3' ' A' ' 66' ' ' LEU . . . 80.31 -46.73 3.28 Favored Glycine 0 CA--C 1.531 1.083 0 O-C-N 124.496 1.123 . . . . 0.0 110.965 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 1.137 ' CE2' HG22 ' A' ' 32' ' ' VAL . 15.3 p90 -65.23 148.94 50.79 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.582 0.813 . . . . 0.0 110.958 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.752 ' O ' ' HB3' ' A' ' 67' ' ' ALA . 4.1 m 51.48 139.56 0.01 OUTLIER Pre-proline 0 C--N 1.326 -0.42 0 O-C-N 124.448 1.092 . . . . 0.0 110.394 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.45 ' C ' ' HB2' ' A' ' 67' ' ' ALA . 18.3 Cg_endo -74.98 -14.19 21.25 Favored 'Trans proline' 0 C--N 1.361 1.211 0 O-C-N 124.614 1.849 . . . . 0.0 111.076 179.906 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.582 ' O ' ' CB ' ' A' ' 39' ' ' THR . . . -124.94 3.93 8.47 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.364 1.04 . . . . 0.0 110.931 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.801 HG23 ' N ' ' A' ' 40' ' ' ILE . 0.5 OUTLIER 88.58 -168.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.407 0.71 . . . . 0.0 110.417 -179.942 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.87 ' HB ' ' O ' ' A' ' 91' ' ' THR . 1.2 pt -125.94 -139.92 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 0.0 109.354 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ASN . . . . . 0.529 ' C ' HD13 ' A' ' 42' ' ' ILE . 63.7 t30 -114.11 157.04 23.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.401 1.063 . . . . 0.0 109.342 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.844 HG21 ' HB3' ' A' ' 58' ' ' ALA . 3.5 mm -115.05 128.96 72.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.449 1.093 . . . . 0.0 109.264 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.527 ' C ' ' CD1' ' A' ' 44' ' ' TRP . 1.2 m -153.39 159.27 42.37 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.519 1.137 . . . . 0.0 110.424 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 1.065 ' CZ3' ' HB3' ' A' ' 88' ' ' CYS . 20.2 m95 -146.17 130.34 17.49 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.047 -1.094 . . . . 0.0 108.047 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.414 ' HB2' ' OE1' ' A' ' 98' ' ' GLU . 0.5 OUTLIER -96.81 111.83 23.84 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.478 1.111 . . . . 0.0 109.453 179.962 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.4 ' HA ' ' O ' ' A' ' 85' ' ' THR . 2.4 tm-20 -101.89 142.97 32.38 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.525 1.141 . . . . 0.0 110.36 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.513 ' CB ' ' HB ' ' A' ' 85' ' ' THR . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.57 1.169 . . . . 0.0 109.311 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.524 ' HB2' ' CB ' ' A' ' 75' ' ' LEU . 3.0 p30 . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 1.106 HD22 ' N ' ' A' ' 56' ' ' SER . 0.0 OUTLIER -141.95 162.59 35.08 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.37 1.044 . . . . 0.0 109.28 -179.964 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 56' ' ' SER . . . . . 1.106 ' N ' HD22 ' A' ' 55' ' ' LEU . 2.6 p -125.8 127.72 46.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 110.002 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.472 ' O ' ' N ' ' A' ' 72' ' ' GLU . 0.2 OUTLIER -130.84 163.84 26.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.606 1.191 . . . . 0.0 110.437 179.973 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.844 ' HB3' HG21 ' A' ' 42' ' ' ILE . . . -131.11 150.99 51.9 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.118 . . . . 0.0 109.295 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' SER . . . . . 0.562 ' O ' ' HA ' ' A' ' 69' ' ' THR . 2.3 t -104.33 152.61 22.04 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.406 1.066 . . . . 0.0 109.976 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' THR . . . . . 0.48 HG23 ' CB ' ' A' ' 39' ' ' THR . 22.2 m -108.27 142.51 38.45 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.613 1.195 . . . . 0.0 110.38 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' THR . . . . . 0.665 ' OG1' ' O ' ' A' ' 68' ' ' SER . 0.7 OUTLIER -142.02 156.04 45.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.568 1.167 . . . . 0.0 110.423 179.964 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -99.88 127.45 46.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.449 1.093 . . . . 0.0 110.359 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -125.94 61.47 1.26 Allowed 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.396 1.06 . . . . 0.0 110.37 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 74.23 -105.42 1.83 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.512 1.133 . . . . 0.0 111.052 -179.872 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -100.99 0.32 37.95 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.582 0.813 . . . . 0.0 110.25 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.634 ' HB3' ' HA2' ' A' ' 34' ' ' GLY . 5.7 mp -111.37 176.91 4.83 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.563 1.164 . . . . 0.0 109.235 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.752 ' HB3' ' O ' ' A' ' 36' ' ' THR . . . -133.14 121.26 22.33 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.457 1.098 . . . . 0.0 109.321 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' SER . . . . . 0.923 ' HA ' ' CB ' ' A' ' 33' ' ' SER . 39.8 t -103.69 120.17 40.39 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.983 -179.911 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.611 ' HB ' ' OH ' ' A' ' 35' ' ' TYR . 0.9 OUTLIER -124.25 112.22 16.77 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.485 1.115 . . . . 0.0 110.464 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.534 ' O ' ' N ' ' A' ' 59' ' ' SER . 4.5 tt0 -93.25 126.72 38.51 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.459 1.1 . . . . 0.0 110.262 -179.897 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.77 ' HA ' ' CB ' ' A' ' 58' ' ' ALA . 0.0 OUTLIER -100.9 146.37 27.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.972 -179.95 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.678 ' HA ' ' HA ' ' A' ' 29' ' ' LEU . 0.4 OUTLIER -140.88 154.05 45.98 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.352 1.032 . . . . 0.0 110.294 -179.973 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.857 HD22 HD12 ' A' ' 28' ' ' LEU . 8.8 tt -137.55 134.9 36.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.45 1.094 . . . . 0.0 109.329 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.432 ' HA ' ' O ' ' A' ' 26' ' ' ILE . 0.0 OUTLIER -133.59 114.68 13.81 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.473 1.108 . . . . 0.0 110.456 179.904 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.789 HD12 ' O ' ' A' ' 76' ' ' SER . 0.3 OUTLIER -145.09 137.54 26.03 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.415 1.072 . . . . 0.0 109.34 -179.967 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 76' ' ' SER . . . . . 0.825 ' HA ' HG22 ' A' ' 25' ' ' THR . 48.2 m -65.38 137.88 57.78 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.485 1.116 . . . . 0.0 110.058 179.892 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 6.9 mm-40 -53.8 -28.01 32.64 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.463 1.102 . . . . 0.0 110.154 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 3.8 mttt -54.63 -54.81 36.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.456 1.097 . . . . 0.0 109.279 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' HIS . . . . . 0.554 ' HD1' ' NH2' ' A' ' 84' ' ' ARG . 0.6 OUTLIER -57.46 -37.83 73.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.595 1.184 . . . . 0.0 109.541 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 80' ' ' TRP . . . . . 0.922 ' CZ3' ' CE1' ' A' ' 86' ' ' TYR . 22.5 t-105 -60.28 -37.57 80.88 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.607 1.192 . . . . 0.0 108.063 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -68.69 -32.27 71.97 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.514 1.134 . . . . 0.0 109.322 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 82' ' ' SER . . . . . 0.515 ' O ' ' HB2' ' A' ' 83' ' ' ASP . 0.3 OUTLIER -76.8 5.11 8.28 Favored 'General case' 0 C--N 1.326 -0.413 0 O-C-N 124.488 1.118 . . . . 0.0 109.994 179.929 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 83' ' ' ASP . . . . . 0.515 ' HB2' ' O ' ' A' ' 82' ' ' SER . 20.0 m-20 70.1 146.72 0.06 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.464 1.102 . . . . 0.0 109.311 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.554 ' NH2' ' HD1' ' A' ' 79' ' ' HIS . 6.7 ttp85 177.58 175.02 0.47 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.523 1.139 . . . . 0.0 110.214 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 85' ' ' THR . . . . . 0.513 ' HB ' ' CB ' ' A' ' 47' ' ' ASP . 0.8 OUTLIER -134.81 105.51 6.47 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.432 1.082 . . . . 0.0 110.452 179.902 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 86' ' ' TYR . . . . . 0.922 ' CE1' ' CZ3' ' A' ' 80' ' ' TRP . 0.0 OUTLIER -104.29 132.48 50.5 Favored 'General case' 0 C--N 1.322 -0.592 0 O-C-N 124.495 1.122 . . . . 0.0 111.023 -179.965 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 87' ' ' THR . . . . . 1.216 ' HA ' ' CB ' ' A' ' 100' ' ' SER . 0.2 OUTLIER -148.27 126.27 12.05 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.609 1.193 . . . . 0.0 110.417 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 88' ' ' CYS . . . . . 1.065 ' HB3' ' CZ3' ' A' ' 44' ' ' TRP . 17.1 p -84.51 99.39 10.69 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.524 1.14 . . . . 0.0 108.233 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 89' ' ' GLN . . . . . 0.473 ' HA ' ' O ' ' A' ' 97' ' ' PHE . 52.5 tt0 -93.06 102.45 14.78 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.454 1.096 . . . . 0.0 110.297 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 1.003 HG11 HG21 ' A' ' 32' ' ' VAL . 0.5 OUTLIER -96.44 122.88 48.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.432 1.083 . . . . 0.0 109.168 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 91' ' ' THR . . . . . 0.87 ' O ' ' HB ' ' A' ' 40' ' ' ILE . 0.6 OUTLIER -92.53 165.85 12.81 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.538 1.149 . . . . 0.0 110.362 179.957 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 92' ' ' TYR . . . . . 0.836 ' CD1' HD12 ' A' ' 40' ' ' ILE . 36.7 m-85 -135.53 159.63 41.01 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.477 1.111 . . . . 0.0 111.05 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 93' ' ' GLN . . . . . 0.417 ' CD ' ' CG2' ' A' ' 36' ' ' THR . 0.8 OUTLIER -47.45 -26.35 1.33 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 110.339 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -156.65 33.58 0.58 Allowed Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.414 1.071 . . . . 0.0 110.938 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 95' ' ' HIS . . . . . 0.49 ' C ' ' HB2' ' A' ' 92' ' ' TYR . 2.7 t-160 -157.79 178.92 9.71 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.536 0.786 . . . . 0.0 109.569 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 12.5 t -159.37 156.5 28.62 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.466 1.103 . . . . 0.0 110.404 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 97' ' ' PHE . . . . . 0.72 ' CD2' HG11 ' A' ' 9' ' ' VAL . 18.1 t80 -160.7 160.01 30.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 111.007 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 98' ' ' GLU . . . . . 0.568 ' HG2' HG22 ' A' ' 87' ' ' THR . 29.5 tt0 -157.72 130.81 7.59 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.46 1.1 . . . . 0.0 110.293 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 99' ' ' ASP . . . . . 0.602 ' O ' ' SG ' ' A' ' 88' ' ' CYS . 4.4 m-20 -158.28 129.64 6.56 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.617 1.198 . . . . 0.0 109.271 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 100' ' ' SER . . . . . 1.216 ' CB ' ' HA ' ' A' ' 87' ' ' THR . 40.7 t -167.02 -141.84 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.471 1.107 . . . . 0.0 109.929 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 101' ' ' THR . . . . . 0.662 HG23 ' CD1' ' A' ' 86' ' ' TYR . 9.0 t -132.17 173.02 11.67 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.476 1.11 . . . . 0.0 110.458 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 102' ' ' LYS . . . . . 0.416 ' CB ' ' OG1' ' A' ' 85' ' ' THR . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.555 1.159 . . . . 0.0 109.317 -179.833 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 110.332 -0.248 . . . . 0.0 110.332 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.96 HG23 ' HB ' ' A' ' 32' ' ' VAL . 9.3 p -132.37 148.45 31.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.605 1.19 . . . . 0.0 109.191 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.711 ' CB ' HD12 ' A' ' 31' ' ' LEU . 1.9 mtpt -135.77 162.84 31.65 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.589 1.181 . . . . 0.0 109.304 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.615 HG13 ' HA ' ' A' ' 100' ' ' SER . 0.0 OUTLIER -133.5 116.01 23.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 O-C-N 124.482 1.114 . . . . 0.0 109.324 179.982 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.995 HD12 HD21 ' A' ' 31' ' ' LEU . 72.5 mt -114.85 132.43 56.51 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.57 1.169 . . . . 0.0 109.322 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -107.18 148.99 28.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.332 1.02 . . . . 0.0 110.21 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.487 ' N ' ' O ' ' A' ' 27' ' ' GLN . 1.8 t -132.54 69.81 1.48 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.548 1.155 . . . . 0.0 109.881 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 35.1 p . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 0.0 109.983 179.877 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.99 HG22 ' HA ' ' A' ' 76' ' ' SER . 2.2 p . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 110.336 -0.246 . . . . 0.0 110.336 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.945 HD11 HD12 ' A' ' 28' ' ' LEU . 0.0 OUTLIER -135.6 134.09 51.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.524 1.14 . . . . 0.0 109.311 -179.961 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.769 ' HG3' HG23 ' A' ' 74' ' ' THR . 0.9 OUTLIER -113.79 112.22 23.05 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.606 1.191 . . . . 0.0 110.344 179.916 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.945 HD12 HD11 ' A' ' 26' ' ' ILE . 1.6 mt -110.75 106.07 15.15 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.561 1.163 . . . . 0.0 109.376 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.899 ' N ' HD13 ' A' ' 29' ' ' LEU . 0.0 OUTLIER -112.04 125.47 54.12 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.529 1.143 . . . . 0.0 109.193 -179.895 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.483 ' HB3' ' O ' ' A' ' 10' ' ' LYS . 84.0 m -93.62 160.22 14.87 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.652 1.22 . . . . 0.0 108.29 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.995 HD21 HD12 ' A' ' 12' ' ' LEU . 0.1 OUTLIER -122.47 101.84 7.73 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.38 1.05 . . . . 0.0 109.337 179.943 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 1.171 HG22 ' CE2' ' A' ' 35' ' ' TYR . 6.5 p -133.47 124.52 48.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 109.309 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.9 ' CB ' ' HA ' ' A' ' 68' ' ' SER . 26.8 p -153.08 -179.88 8.09 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 109.937 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.755 ' HA2' ' HB3' ' A' ' 66' ' ' LEU . . . 90.16 -40.24 3.04 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.479 1.112 . . . . 0.0 111.128 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 1.171 ' CE2' HG22 ' A' ' 32' ' ' VAL . 7.0 p90 -66.13 146.11 55.03 Favored 'General case' 0 C--N 1.328 -0.364 0 O-C-N 124.536 0.786 . . . . 0.0 110.925 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.777 ' O ' ' O ' ' A' ' 35' ' ' TYR . 0.2 OUTLIER 43.58 158.22 0.01 OUTLIER Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.537 1.148 . . . . 0.0 110.344 179.948 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.888 ' C ' ' HB2' ' A' ' 67' ' ' ALA . 18.1 Cg_endo -75.11 -12.29 21.3 Favored 'Trans proline' 0 C--N 1.362 1.284 0 O-C-N 124.428 1.751 . . . . 0.0 110.925 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.757 ' C ' ' HB1' ' A' ' 67' ' ' ALA . . . -121.89 -45.62 0.33 Allowed Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.593 1.183 . . . . 0.0 111.029 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.646 ' CB ' ' O ' ' A' ' 38' ' ' GLY . 1.0 OUTLIER 155.02 169.86 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 0.775 . . . . 0.0 110.435 179.979 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 1.068 HG23 ' CD1' ' A' ' 35' ' ' TYR . 0.3 OUTLIER -98.45 -147.95 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.49 1.119 . . . . 0.0 109.285 -179.959 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ASN . . . . . 0.598 ' N ' HG12 ' A' ' 40' ' ' ILE . 0.3 OUTLIER -97.98 132.86 43.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.607 1.192 . . . . 0.0 109.235 -179.967 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.855 HG21 ' HB3' ' A' ' 58' ' ' ALA . 6.8 mt -105.76 121.17 57.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.417 1.073 . . . . 0.0 109.376 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.526 ' C ' ' CD1' ' A' ' 44' ' ' TRP . 4.7 m -156.84 162.2 39.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.572 1.17 . . . . 0.0 110.418 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 1.077 ' CZ3' ' HB3' ' A' ' 88' ' ' CYS . 10.0 m95 -141.57 130.46 23.06 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.639 1.212 . . . . 0.0 107.973 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -91.95 112.09 23.89 Favored 'General case' 0 C--N 1.328 -0.363 0 O-C-N 124.519 1.137 . . . . 0.0 109.266 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.44 ' HG3' ' N ' ' A' ' 47' ' ' ASP . 1.2 tt0 -98.34 143.05 29.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 110.343 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.502 ' CB ' ' HB ' ' A' ' 85' ' ' THR . 0.1 OUTLIER . . . . . 0 C--N 1.323 -0.55 0 O-C-N 124.581 1.175 . . . . 0.0 109.413 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.464 ' HA ' ' O ' ' A' ' 74' ' ' THR . 25.8 m-20 . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 1.116 HD22 ' N ' ' A' ' 56' ' ' SER . 0.0 OUTLIER -137.28 162.26 34.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 0.0 109.41 179.944 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 56' ' ' SER . . . . . 1.116 ' N ' HD22 ' A' ' 55' ' ' LEU . 0.0 OUTLIER -128.76 133.09 47.99 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.514 1.134 . . . . 0.0 109.972 179.949 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.499 ' O ' ' N ' ' A' ' 72' ' ' GLU . 0.2 OUTLIER -133.11 156.6 47.13 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 110.48 179.951 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.855 ' HB3' HG21 ' A' ' 42' ' ' ILE . . . -128.5 151.39 49.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.457 1.098 . . . . 0.0 109.262 -179.848 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' SER . . . . . 0.599 ' O ' ' HA ' ' A' ' 69' ' ' THR . 0.4 OUTLIER -105.03 156.97 17.56 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.443 1.089 . . . . 0.0 109.993 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 60' ' ' THR . . . . . 0.595 ' HA ' ' OG1' ' A' ' 69' ' ' THR . 2.2 t -106.41 141.62 37.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.553 1.158 . . . . 0.0 110.331 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' THR . . . . . 0.793 ' OG1' ' O ' ' A' ' 68' ' ' SER . 0.0 OUTLIER -143.6 162.35 36.13 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.441 1.088 . . . . 0.0 110.433 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -98.43 129.21 45.05 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.56 1.162 . . . . 0.0 110.369 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -127.65 64.19 1.36 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.51 1.131 . . . . 0.0 110.351 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 73.86 -107.64 2.3 Favored Glycine 0 CA--C 1.531 1.077 0 O-C-N 124.428 1.08 . . . . 0.0 111.038 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -100.14 0.23 40.2 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.381 0.695 . . . . 0.0 110.33 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.755 ' HB3' ' HA2' ' A' ' 34' ' ' GLY . 5.3 mp -115.91 -175.82 2.81 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.557 1.161 . . . . 0.0 109.181 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.888 ' HB2' ' C ' ' A' ' 37' ' ' PRO . . . -131.63 124.06 29.13 Favored 'General case' 0 C--N 1.327 -0.371 0 O-C-N 124.53 1.144 . . . . 0.0 109.36 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' SER . . . . . 0.9 ' HA ' ' CB ' ' A' ' 33' ' ' SER . 47.6 t -108.5 117.63 34.66 Favored 'General case' 0 C--N 1.323 -0.564 0 O-C-N 124.529 1.143 . . . . 0.0 110.135 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.894 ' HB ' ' OH ' ' A' ' 35' ' ' TYR . 0.7 OUTLIER -117.57 125.04 50.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.632 1.208 . . . . 0.0 110.451 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.617 ' O ' ' HA ' ' A' ' 58' ' ' ALA . 2.3 tt0 -93.53 124.95 37.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.11 . . . . 0.0 110.247 -179.884 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.753 ' HA ' ' HB2' ' A' ' 58' ' ' ALA . 0.1 OUTLIER -97.13 143.67 27.72 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.463 1.102 . . . . 0.0 110.034 179.979 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.66 ' HA ' ' HA ' ' A' ' 29' ' ' LEU . 1.0 OUTLIER -136.88 155.83 49.26 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.569 1.168 . . . . 0.0 110.215 -179.962 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.991 ' HG ' HD11 ' A' ' 75' ' ' LEU . 13.3 tp -140.39 147.43 39.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.59 1.181 . . . . 0.0 109.287 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.863 ' H ' HD12 ' A' ' 73' ' ' LEU . 0.1 OUTLIER -148.01 120.71 8.63 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.128 . . . . 0.0 110.313 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.991 HD11 ' HG ' ' A' ' 73' ' ' LEU . 0.0 OUTLIER -141.82 167.05 23.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.603 1.189 . . . . 0.0 109.292 179.858 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 76' ' ' SER . . . . . 0.99 ' HA ' HG22 ' A' ' 25' ' ' THR . 41.0 t -87.8 141.13 28.83 Favored 'General case' 0 C--N 1.327 -0.408 0 O-C-N 124.433 1.083 . . . . 0.0 110.015 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -59.53 -34.12 72.23 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.504 1.128 . . . . 0.0 110.373 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 15.5 tptt -54.14 -56.82 14.53 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.456 1.097 . . . . 0.0 109.257 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' HIS . . . . . 0.468 ' CB ' ' NH2' ' A' ' 84' ' ' ARG . 17.0 m80 -55.6 -34.97 65.34 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.412 1.07 . . . . 0.0 109.634 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' TRP . . . . . 0.918 ' CZ3' ' CZ ' ' A' ' 86' ' ' TYR . 25.2 t-105 -61.63 -41.24 97.21 Favored 'General case' 0 N--CA 1.451 -0.394 0 O-C-N 124.452 1.095 . . . . 0.0 108.06 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 9.3 tt -70.43 -32.41 69.99 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 109.36 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' SER . . . . . 0.551 ' O ' ' HB3' ' A' ' 83' ' ' ASP . 0.2 OUTLIER -77.42 8.01 4.72 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.586 1.179 . . . . 0.0 109.947 179.945 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 83' ' ' ASP . . . . . 0.551 ' HB3' ' O ' ' A' ' 82' ' ' SER . 0.7 OUTLIER 68.42 146.21 0.05 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.504 1.127 . . . . 0.0 109.397 -179.971 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.468 ' NH2' ' CB ' ' A' ' 79' ' ' HIS . 1.0 OUTLIER -179.19 177.36 0.79 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.46 1.1 . . . . 0.0 110.272 -179.978 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 85' ' ' THR . . . . . 0.502 ' HB ' ' CB ' ' A' ' 47' ' ' ASP . 0.9 OUTLIER -135.41 110.48 8.87 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.527 1.142 . . . . 0.0 110.314 179.954 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 86' ' ' TYR . . . . . 0.918 ' CZ ' ' CZ3' ' A' ' 80' ' ' TRP . 0.0 OUTLIER -112.67 121.82 45.87 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.518 1.136 . . . . 0.0 110.931 179.916 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 87' ' ' THR . . . . . 1.477 ' HA ' ' CB ' ' A' ' 100' ' ' SER . 6.1 m -139.15 138.36 36.91 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.54 1.15 . . . . 0.0 110.365 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 88' ' ' CYS . . . . . 1.077 ' HB3' ' CZ3' ' A' ' 44' ' ' TRP . 8.9 p -100.44 101.71 12.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.1 . . . . 0.0 108.307 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 89' ' ' GLN . . . . . 0.486 ' N ' ' O ' ' A' ' 43' ' ' THR . 27.5 tt0 -94.14 110.48 22.2 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.119 . . . . 0.0 110.322 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.948 HG11 HG21 ' A' ' 32' ' ' VAL . 0.3 OUTLIER -107.48 117.67 53.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 O-C-N 124.553 1.158 . . . . 0.0 109.344 -179.965 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 91' ' ' THR . . . . . 1.024 ' O ' ' HB ' ' A' ' 40' ' ' ILE . 7.0 m -100.1 154.15 18.65 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.398 1.061 . . . . 0.0 110.458 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 92' ' ' TYR . . . . . 0.796 ' CD2' HG21 ' A' ' 40' ' ' ILE . 0.7 OUTLIER -119.3 160.43 22.25 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.432 1.082 . . . . 0.0 111.098 179.905 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 6.4 pt20 -50.76 -23.69 2.89 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.463 1.102 . . . . 0.0 110.334 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -152.06 31.55 0.89 Allowed Glycine 0 CA--C 1.529 0.93 0 O-C-N 124.379 1.05 . . . . 0.0 111.023 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 95' ' ' HIS . . . . . 0.491 ' CB ' ' HB2' ' A' ' 92' ' ' TYR . 1.4 t-80 -157.73 179.46 9.2 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.445 0.732 . . . . 0.0 109.711 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.478 ' HA ' ' HA ' ' A' ' 91' ' ' THR . 8.8 t -160.14 152.85 21.23 Favored 'General case' 0 C--N 1.323 -0.573 0 O-C-N 124.453 1.096 . . . . 0.0 110.554 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 97' ' ' PHE . . . . . 0.43 ' HD2' ' HH ' ' A' ' 92' ' ' TYR . 1.4 m-85 -155.24 159.39 40.03 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.526 1.141 . . . . 0.0 110.967 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 98' ' ' GLU . . . . . 0.461 ' HG3' ' CG ' ' A' ' 89' ' ' GLN . 1.7 tt0 -155.67 110.28 2.91 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.489 1.118 . . . . 0.0 110.257 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 99' ' ' ASP . . . . . 0.506 ' O ' ' SG ' ' A' ' 88' ' ' CYS . 5.0 m-20 -138.45 127.05 23.39 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.457 1.098 . . . . 0.0 109.307 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 100' ' ' SER . . . . . 1.477 ' CB ' ' HA ' ' A' ' 87' ' ' THR . 0.3 OUTLIER -169.61 -152.92 0.1 Allowed 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.5 1.125 . . . . 0.0 110.044 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 101' ' ' THR . . . . . 0.605 HG23 ' CD1' ' A' ' 86' ' ' TYR . 9.0 t -137.85 173.78 11.27 Favored 'General case' 0 C--N 1.323 -0.563 0 O-C-N 124.511 1.132 . . . . 0.0 110.495 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 13.4 pttt . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.558 1.161 . . . . 0.0 109.3 -179.976 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.513 ' O ' ' HA ' ' A' ' 32' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.335 0 N-CA-C 110.389 -0.226 . . . . 0.0 110.389 . . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 1.055 HG11 ' CD1' ' A' ' 97' ' ' PHE . 4.4 p -131.95 141.92 44.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.531 1.144 . . . . 0.0 109.238 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.63 ' CD ' HD12 ' A' ' 31' ' ' LEU . 7.0 mtpt -139.15 166.63 24.03 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.54 1.15 . . . . 0.0 109.226 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.486 HD11 ' SG ' ' A' ' 88' ' ' CYS . 0.3 OUTLIER -124.66 122.14 63.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 O-C-N 124.438 1.086 . . . . 0.0 109.407 179.925 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 22.4 mt -122.03 128.35 51.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.563 1.164 . . . . 0.0 109.364 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -107.33 139.84 41.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.383 1.052 . . . . 0.0 110.345 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.507 ' HB2' ' CB ' ' A' ' 27' ' ' GLN . 75.7 m -133.44 76.53 1.67 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 0.0 110.015 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.436 ' HB3' ' CG1' ' A' ' 26' ' ' ILE . 16.3 p . . . . . 0 C--N 1.324 -0.517 0 O-C-N 124.475 1.11 . . . . 0.0 110.032 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.466 ' HB ' ' O ' ' A' ' 75' ' ' LEU . 76.5 p . . . . . 0 N--CA 1.454 -0.26 0 N-CA-C 110.444 -0.206 . . . . 0.0 110.444 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.867 HD12 ' CZ3' ' A' ' 80' ' ' TRP . 0.2 OUTLIER -135.23 139.11 47.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.545 1.153 . . . . 0.0 109.229 -179.964 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.6 ' HA ' ' O ' ' A' ' 73' ' ' LEU . 24.8 mt-30 -120.71 86.47 2.58 Favored 'General case' 0 C--N 1.327 -0.4 0 O-C-N 124.414 1.071 . . . . 0.0 110.342 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.65 ' O ' ' HB3' ' A' ' 73' ' ' LEU . 0.8 OUTLIER -95.12 101.76 13.53 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.442 1.089 . . . . 0.0 109.408 179.92 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.682 ' HA ' ' HA ' ' A' ' 72' ' ' GLU . 8.5 mp -99.85 118.59 36.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.565 1.166 . . . . 0.0 109.321 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.548 ' CB ' ' HB2' ' A' ' 71' ' ' SER . 0.4 OUTLIER -92.15 127.9 37.8 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.406 1.066 . . . . 0.0 108.254 -179.965 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.851 ' C ' HD13 ' A' ' 31' ' ' LEU . 0.2 OUTLIER -94.94 119.85 34.16 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.12 . . . . 0.0 109.385 179.955 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 1.12 HG22 ' CE2' ' A' ' 35' ' ' TYR . 1.3 p -147.74 108.61 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.411 1.07 . . . . 0.0 109.285 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.912 ' CB ' ' HA ' ' A' ' 68' ' ' SER . 25.6 p -147.46 -178.45 6.24 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.365 1.041 . . . . 0.0 110.052 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.527 ' O ' ' HB3' ' A' ' 66' ' ' LEU . . . 81.91 -49.52 4.1 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.484 1.115 . . . . 0.0 111.063 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 1.12 ' CE2' HG22 ' A' ' 32' ' ' VAL . 4.0 p90 -62.1 146.93 49.04 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 0.753 . . . . 0.0 110.954 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.781 ' O ' ' HB3' ' A' ' 67' ' ' ALA . 3.7 m 50.58 138.07 0.01 OUTLIER Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.572 1.17 . . . . 0.0 110.338 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.1 -12.88 21.34 Favored 'Trans proline' 0 C--N 1.362 1.257 0 O-C-N 124.373 1.723 . . . . 0.0 110.971 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.659 ' O ' HG22 ' A' ' 39' ' ' THR . . . -124.39 4.65 8.8 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.484 1.115 . . . . 0.0 111.101 179.9 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.722 HG23 ' N ' ' A' ' 40' ' ' ILE . 0.7 OUTLIER 93.6 -166.39 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.452 0.736 . . . . 0.0 110.418 179.971 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.947 ' HB ' ' O ' ' A' ' 91' ' ' THR . 0.9 OUTLIER -135.01 -141.66 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.582 1.177 . . . . 0.0 109.359 179.938 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ASN . . . . . 0.8 ' C ' HD13 ' A' ' 42' ' ' ILE . 56.5 t30 -115.93 160.78 19.76 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.442 1.089 . . . . 0.0 109.232 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.8 HD13 ' C ' ' A' ' 41' ' ' ASN . 0.8 OUTLIER -114.06 136.45 50.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 O-C-N 124.51 1.131 . . . . 0.0 109.329 179.968 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.515 ' C ' ' CD1' ' A' ' 44' ' ' TRP . 1.1 m -155.6 151.52 27.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.564 1.165 . . . . 0.0 110.416 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 1.037 ' CZ3' ' HB3' ' A' ' 88' ' ' CYS . 20.9 m95 -144.82 130.55 19.07 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.024 -1.102 . . . . 0.0 108.024 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -105.68 117.75 34.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.438 1.086 . . . . 0.0 109.333 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.519 ' CD ' ' CZ ' ' A' ' 84' ' ' ARG . 1.0 OUTLIER -102.72 156.79 17.39 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.451 1.094 . . . . 0.0 110.255 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.572 ' CB ' ' HB ' ' A' ' 85' ' ' THR . 0.2 OUTLIER . . . . . 0 C--N 1.326 -0.445 0 O-C-N 124.529 1.143 . . . . 0.0 109.236 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.845 ' HB3' ' O ' ' A' ' 74' ' ' THR . 0.2 OUTLIER . . . . . 0 N--CA 1.454 -0.233 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 . . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 1.01 HD22 ' N ' ' A' ' 56' ' ' SER . 0.0 OUTLIER -154.08 179.48 8.89 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.641 1.213 . . . . 0.0 109.286 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 56' ' ' SER . . . . . 1.01 ' N ' HD22 ' A' ' 55' ' ' LEU . 0.1 OUTLIER -135.05 135.04 40.98 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.481 1.113 . . . . 0.0 109.981 -179.915 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -130.21 158.65 39.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.549 1.156 . . . . 0.0 110.437 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.788 ' HB3' ' CG2' ' A' ' 42' ' ' ILE . . . -132.76 151.85 51.9 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.117 . . . . 0.0 109.216 -179.896 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' SER . . . . . 0.529 ' O ' ' HA ' ' A' ' 69' ' ' THR . 0.6 OUTLIER -107.93 154.44 21.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 0.0 110.024 179.977 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 60' ' ' THR . . . . . 0.548 ' HA ' ' OG1' ' A' ' 69' ' ' THR . 1.5 t -105.0 141.64 36.22 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.557 1.161 . . . . 0.0 110.452 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' THR . . . . . 0.735 ' OG1' ' O ' ' A' ' 68' ' ' SER . 0.0 OUTLIER -142.4 159.19 42.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.406 1.066 . . . . 0.0 110.504 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 -95.86 130.47 42.8 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.458 1.099 . . . . 0.0 110.271 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.981 ' O ' HD12 ' A' ' 66' ' ' LEU . 7.7 mt-10 -129.53 64.23 1.5 Allowed 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.509 1.131 . . . . 0.0 110.258 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 73.39 -107.92 2.36 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.559 1.162 . . . . 0.0 110.996 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -99.81 0.32 41.33 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 0.779 . . . . 0.0 110.255 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.981 HD12 ' O ' ' A' ' 63' ' ' GLU . 0.0 OUTLIER -115.73 179.22 4.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.558 1.161 . . . . 0.0 109.331 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.781 ' HB3' ' O ' ' A' ' 36' ' ' THR . . . -129.53 118.98 22.93 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.582 1.176 . . . . 0.0 109.283 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' SER . . . . . 0.912 ' HA ' ' CB ' ' A' ' 33' ' ' SER . 23.0 t -102.82 115.29 30.31 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.54 1.15 . . . . 0.0 109.996 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.829 ' HB ' ' OH ' ' A' ' 35' ' ' TYR . 0.8 OUTLIER -116.37 119.63 36.27 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.49 1.119 . . . . 0.0 110.398 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.498 ' O ' ' HA ' ' A' ' 58' ' ' ALA . 0.7 OUTLIER -93.26 125.87 38.08 Favored 'General case' 0 C--N 1.323 -0.559 0 O-C-N 124.54 1.15 . . . . 0.0 110.271 -179.951 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.779 ' HA ' ' CB ' ' A' ' 58' ' ' ALA . 0.8 OUTLIER -106.15 141.71 37.05 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.559 1.162 . . . . 0.0 110.107 179.949 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.682 ' HA ' ' HA ' ' A' ' 29' ' ' LEU . 0.5 OUTLIER -133.86 150.09 51.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.364 1.04 . . . . 0.0 110.381 -179.914 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 1.009 HD12 ' N ' ' A' ' 74' ' ' THR . 1.3 tp -129.6 138.2 51.13 Favored 'General case' 0 C--N 1.323 -0.562 0 O-C-N 124.598 1.186 . . . . 0.0 109.41 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' THR . . . . . 1.009 ' N ' HD12 ' A' ' 73' ' ' LEU . 0.0 OUTLIER -137.55 117.08 12.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.449 1.093 . . . . 0.0 110.372 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.857 HD23 HG21 ' A' ' 26' ' ' ILE . 0.1 OUTLIER -145.44 158.02 43.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 109.278 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 76' ' ' SER . . . . . 0.508 ' O ' HD12 ' A' ' 75' ' ' LEU . 0.4 OUTLIER -84.97 141.38 30.38 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 109.973 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -60.12 -28.33 67.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.451 1.094 . . . . 0.0 110.258 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.48 -54.89 26.42 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.489 1.118 . . . . 0.0 109.376 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' HIS . . . . . 0.458 ' HB2' ' CD1' ' A' ' 75' ' ' LEU . 18.3 m170 -58.24 -42.74 87.01 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.112 . . . . 0.0 109.585 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 80' ' ' TRP . . . . . 1.028 ' CZ3' ' CZ ' ' A' ' 86' ' ' TYR . 6.4 t-105 -60.63 -19.17 57.34 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.496 1.123 . . . . 0.0 108.044 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.425 ' C ' ' H ' ' A' ' 83' ' ' ASP . 0.1 OUTLIER -81.52 -43.55 18.61 Favored 'General case' 0 C--N 1.328 -0.355 0 O-C-N 124.428 1.08 . . . . 0.0 109.271 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 1.1 p -82.24 30.63 0.4 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.566 1.166 . . . . 0.0 110.039 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' ASP . . . . . 0.425 ' H ' ' C ' ' A' ' 81' ' ' LEU . 0.0 OUTLIER 60.72 149.59 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.539 1.149 . . . . 0.0 109.292 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.543 HH12 ' N ' ' A' ' 47' ' ' ASP . 0.0 OUTLIER -178.42 165.35 1.77 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.586 1.179 . . . . 0.0 110.171 -179.921 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 85' ' ' THR . . . . . 0.572 ' HB ' ' CB ' ' A' ' 47' ' ' ASP . 0.9 OUTLIER -129.98 118.15 21.18 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.54 1.15 . . . . 0.0 110.45 -179.97 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 86' ' ' TYR . . . . . 1.028 ' CZ ' ' CZ3' ' A' ' 80' ' ' TRP . 0.0 OUTLIER -109.12 130.37 55.48 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.584 1.178 . . . . 0.0 110.963 -179.905 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 87' ' ' THR . . . . . 1.351 ' HA ' ' CB ' ' A' ' 100' ' ' SER . 1.8 m -145.23 123.97 12.59 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.531 1.144 . . . . 0.0 110.466 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 88' ' ' CYS . . . . . 1.037 ' HB3' ' CZ3' ' A' ' 44' ' ' TRP . 20.4 p -96.58 96.81 8.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 108.262 -179.869 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 89' ' ' GLN . . . . . 0.439 ' N ' ' O ' ' A' ' 43' ' ' THR . 33.9 tt0 -92.27 114.44 26.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.144 . . . . 0.0 110.316 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.938 HG11 HG21 ' A' ' 32' ' ' VAL . 3.1 t -103.5 133.81 46.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.448 1.092 . . . . 0.0 109.3 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 91' ' ' THR . . . . . 0.947 ' O ' ' HB ' ' A' ' 40' ' ' ILE . 1.2 m -107.89 163.86 12.76 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.563 1.164 . . . . 0.0 110.375 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 92' ' ' TYR . . . . . 0.809 ' CE1' HG12 ' A' ' 90' ' ' VAL . 2.1 m-85 -138.41 150.65 46.72 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.473 1.108 . . . . 0.0 111.043 179.862 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 5.8 pt20 -50.42 -21.63 1.54 Allowed 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.52 1.137 . . . . 0.0 110.354 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -154.28 36.44 0.7 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.44 1.088 . . . . 0.0 111.047 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 95' ' ' HIS . . . . . 0.559 ' CA ' ' HB2' ' A' ' 92' ' ' TYR . 2.2 t-80 -166.08 172.75 11.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 0.755 . . . . 0.0 109.677 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 13.6 t -160.73 154.78 22.86 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.455 1.097 . . . . 0.0 110.454 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 97' ' ' PHE . . . . . 1.055 ' CD1' HG11 ' A' ' 9' ' ' VAL . 24.4 t80 -169.94 164.54 9.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.441 1.088 . . . . 0.0 111.067 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 98' ' ' GLU . . . . . 0.775 ' HG2' HG22 ' A' ' 87' ' ' THR . 41.8 tt0 -152.07 133.51 14.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.149 . . . . 0.0 110.397 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 99' ' ' ASP . . . . . 0.744 ' O ' ' SG ' ' A' ' 88' ' ' CYS . 0.1 OUTLIER -148.39 125.29 11.27 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.501 1.126 . . . . 0.0 109.279 -179.97 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 100' ' ' SER . . . . . 1.351 ' CB ' ' HA ' ' A' ' 87' ' ' THR . 0.3 OUTLIER -167.4 -155.27 0.18 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.54 1.15 . . . . 0.0 110.058 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 101' ' ' THR . . . . . 0.704 HG23 ' CD1' ' A' ' 86' ' ' TYR . 4.5 t -143.08 173.96 11.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.368 1.042 . . . . 0.0 110.441 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.438 1.086 . . . . 0.0 109.317 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.52 HG22 ' O ' ' A' ' 33' ' ' SER . 2.8 t . . . . . 0 N--CA 1.452 -0.353 0 N-CA-C 110.459 -0.2 . . . . 0.0 110.459 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.603 HG11 ' CD1' ' A' ' 97' ' ' PHE . 5.0 p -135.95 143.45 36.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.547 1.154 . . . . 0.0 109.27 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.57 ' N ' ' O ' ' A' ' 31' ' ' LEU . 0.1 OUTLIER -135.96 165.53 25.45 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.456 1.098 . . . . 0.0 109.296 -179.966 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.51 ' CG1' ' O ' ' A' ' 99' ' ' ASP . 0.1 OUTLIER -135.86 120.95 27.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.587 1.179 . . . . 0.0 109.287 -179.871 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 1.009 HD11 HD12 ' A' ' 29' ' ' LEU . 0.0 OUTLIER -129.36 136.47 50.03 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.577 1.173 . . . . 0.0 109.185 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 13' ' ' GLN . . . . . 0.631 ' HB3' HD23 ' A' ' 28' ' ' LEU . 0.0 OUTLIER -103.56 146.46 28.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.372 1.045 . . . . 0.0 110.272 179.932 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.435 ' HB3' ' CB ' ' A' ' 27' ' ' GLN . 0.1 OUTLIER -132.8 76.19 1.67 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.625 1.203 . . . . 0.0 109.97 -179.965 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 6.5 p . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.582 1.176 . . . . 0.0 109.958 -179.937 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.888 HG22 ' HA ' ' A' ' 76' ' ' SER . 6.0 p . . . . . 0 N--CA 1.452 -0.325 0 N-CA-C 110.396 -0.224 . . . . 0.0 110.396 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.875 HD13 HD11 ' A' ' 28' ' ' LEU . 0.1 OUTLIER -138.1 135.14 44.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 109.231 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.51 ' HA ' ' O ' ' A' ' 73' ' ' LEU . 6.9 mt-30 -117.68 83.61 2.02 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.571 1.169 . . . . 0.0 110.396 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.875 HD11 HD13 ' A' ' 26' ' ' ILE . 1.5 mt -99.04 110.75 23.3 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 109.288 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 1.009 HD12 HD11 ' A' ' 12' ' ' LEU . 0.0 OUTLIER -114.62 154.47 28.3 Favored 'General case' 0 C--N 1.323 -0.56 0 O-C-N 124.51 1.131 . . . . 0.0 109.34 179.955 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.502 ' HB2' ' HB3' ' A' ' 71' ' ' SER . 0.1 OUTLIER -108.97 159.39 16.86 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.503 1.127 . . . . 0.0 108.37 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.593 HD13 HD12 ' A' ' 12' ' ' LEU . 6.6 mp -123.03 90.05 3.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.422 1.076 . . . . 0.0 109.302 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 1.095 HG22 ' CE2' ' A' ' 35' ' ' TYR . 0.9 OUTLIER -124.1 114.14 39.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.511 1.132 . . . . 0.0 109.338 179.969 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.872 ' CB ' ' HA ' ' A' ' 68' ' ' SER . 16.9 p -154.09 -179.79 8.21 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.553 1.158 . . . . 0.0 110.072 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.709 ' HA2' ' HB3' ' A' ' 66' ' ' LEU . . . 81.85 -46.16 3.43 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.555 1.159 . . . . 0.0 110.99 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 1.095 ' CE2' HG22 ' A' ' 32' ' ' VAL . 7.3 p90 -65.73 152.5 44.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.415 0.715 . . . . 0.0 111.001 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.756 ' O ' ' CB ' ' A' ' 67' ' ' ALA . 4.4 m 47.26 138.21 0.0 OUTLIER Pre-proline 0 C--N 1.327 -0.392 0 O-C-N 124.44 1.087 . . . . 0.0 110.368 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.425 ' C ' ' HB2' ' A' ' 67' ' ' ALA . 18.0 Cg_endo -74.99 -12.94 21.55 Favored 'Trans proline' 0 C--N 1.362 1.251 0 O-C-N 124.453 1.765 . . . . 0.0 111.013 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.676 ' O ' HG22 ' A' ' 39' ' ' THR . . . -124.87 2.73 8.56 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.546 1.154 . . . . 0.0 111.039 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.71 HG23 ' N ' ' A' ' 40' ' ' ILE . 0.7 OUTLIER 93.53 -166.72 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.542 0.789 . . . . 0.0 110.417 179.949 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.948 ' HB ' ' O ' ' A' ' 91' ' ' THR . 0.8 OUTLIER -133.72 -141.21 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 109.319 179.921 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ASN . . . . . 0.412 ' HB2' ' HB ' ' A' ' 91' ' ' THR . 2.1 m120 -108.42 155.48 20.52 Favored 'General case' 0 C--N 1.322 -0.59 0 O-C-N 124.573 1.171 . . . . 0.0 109.34 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.889 HG21 ' HB3' ' A' ' 58' ' ' ALA . 6.6 mt -120.07 130.26 74.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.495 1.122 . . . . 0.0 109.268 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.467 ' OG1' ' C ' ' A' ' 42' ' ' ILE . 3.5 m -159.09 161.74 36.46 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.421 1.076 . . . . 0.0 110.505 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 1.088 ' CZ3' ' HB3' ' A' ' 88' ' ' CYS . 21.5 m95 -140.66 129.54 23.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.57 1.169 . . . . 0.0 108.007 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 7.7 tp -91.0 104.55 17.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.547 1.154 . . . . 0.0 109.278 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.465 ' HA ' ' O ' ' A' ' 85' ' ' THR . 1.0 OUTLIER -100.51 152.93 19.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.629 1.206 . . . . 0.0 110.349 179.977 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.492 ' CB ' ' HB ' ' A' ' 85' ' ' THR . 0.4 OUTLIER . . . . . 0 C--N 1.324 -0.519 0 O-C-N 124.463 1.102 . . . . 0.0 109.315 -179.908 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.497 ' HB2' ' CB ' ' A' ' 75' ' ' LEU . 3.5 p30 . . . . . 0 N--CA 1.452 -0.336 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 1.182 HD22 ' N ' ' A' ' 56' ' ' SER . 0.0 OUTLIER -136.58 160.88 37.46 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.47 1.106 . . . . 0.0 109.375 179.944 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 56' ' ' SER . . . . . 1.182 ' N ' HD22 ' A' ' 55' ' ' LEU . 0.1 OUTLIER -126.14 128.73 47.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.14 . . . . 0.0 109.984 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.628 ' OG1' HD21 ' A' ' 55' ' ' LEU . 0.3 OUTLIER -133.16 159.07 41.23 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.442 1.089 . . . . 0.0 110.362 179.969 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.889 ' HB3' HG21 ' A' ' 42' ' ' ILE . . . -134.6 150.96 50.75 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.541 1.151 . . . . 0.0 109.327 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' SER . . . . . 0.64 ' O ' ' HA ' ' A' ' 69' ' ' THR . 0.1 OUTLIER -107.96 148.02 30.24 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.554 1.159 . . . . 0.0 109.998 -179.94 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 60' ' ' THR . . . . . 0.403 ' HA ' ' OG1' ' A' ' 69' ' ' THR . 2.2 t -105.16 143.49 33.27 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.539 1.149 . . . . 0.0 110.501 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' THR . . . . . 0.741 ' OG1' ' O ' ' A' ' 68' ' ' SER . 0.8 OUTLIER -138.36 158.58 44.0 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.523 1.139 . . . . 0.0 110.357 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -99.68 125.56 45.56 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.417 1.073 . . . . 0.0 110.276 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -128.1 66.0 1.37 Allowed 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.357 1.036 . . . . 0.0 110.295 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 74.41 -108.08 2.43 Favored Glycine 0 CA--C 1.529 0.932 0 O-C-N 124.5 1.125 . . . . 0.0 111.047 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -100.84 0.64 38.99 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.508 0.77 . . . . 0.0 110.32 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.709 ' HB3' ' HA2' ' A' ' 34' ' ' GLY . 5.9 mp -112.5 176.54 4.97 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.53 1.144 . . . . 0.0 109.296 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.756 ' CB ' ' O ' ' A' ' 36' ' ' THR . . . -134.95 121.59 20.72 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.501 1.125 . . . . 0.0 109.169 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' SER . . . . . 0.872 ' HA ' ' CB ' ' A' ' 33' ' ' SER . 26.7 t -102.68 120.12 40.02 Favored 'General case' 0 C--N 1.327 -0.375 0 O-C-N 124.413 1.07 . . . . 0.0 110.006 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.65 ' HB ' ' OH ' ' A' ' 35' ' ' TYR . 0.9 OUTLIER -123.89 115.72 21.74 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.355 1.034 . . . . 0.0 110.348 -179.944 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.532 ' O ' ' HA ' ' A' ' 58' ' ' ALA . 1.2 pt20 -97.8 122.89 41.43 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.387 1.055 . . . . 0.0 110.227 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.885 ' HA ' ' CB ' ' A' ' 58' ' ' ALA . 1.1 t -100.4 154.03 18.84 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.468 1.105 . . . . 0.0 110.025 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.734 ' HA ' ' HA ' ' A' ' 29' ' ' LEU . 1.1 mt-10 -146.45 156.3 43.19 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.492 1.12 . . . . 0.0 110.264 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.777 HD13 ' CB ' ' A' ' 56' ' ' SER . 25.0 tp -135.77 141.26 44.78 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.437 1.086 . . . . 0.0 109.245 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.569 ' H ' HD12 ' A' ' 73' ' ' LEU . 0.0 OUTLIER -138.16 115.9 11.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.433 1.083 . . . . 0.0 110.436 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.816 HD12 ' O ' ' A' ' 76' ' ' SER . 0.4 OUTLIER -141.45 157.6 44.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.254 -179.977 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 76' ' ' SER . . . . . 0.888 ' HA ' HG22 ' A' ' 25' ' ' THR . 0.2 OUTLIER -84.95 143.66 28.83 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.53 1.143 . . . . 0.0 109.984 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 77' ' ' GLN . . . . . 0.411 ' HG3' ' N ' ' A' ' 78' ' ' LYS . 19.0 pt20 -57.16 -31.7 65.64 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.499 1.124 . . . . 0.0 110.246 -179.875 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.411 ' N ' ' HG3' ' A' ' 77' ' ' GLN . 0.0 OUTLIER -52.79 -57.51 9.94 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.571 1.17 . . . . 0.0 109.323 -179.981 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -56.7 -37.86 71.5 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 109.583 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 80' ' ' TRP . . . . . 0.922 ' CZ3' ' CZ ' ' A' ' 86' ' ' TYR . 8.9 t-105 -62.47 -36.98 84.18 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 107.962 -1.125 . . . . 0.0 107.962 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -69.84 -32.8 71.4 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.579 1.174 . . . . 0.0 109.251 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 82' ' ' SER . . . . . 0.46 ' O ' ' HB3' ' A' ' 83' ' ' ASP . 1.4 t -76.25 4.7 8.22 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.461 1.1 . . . . 0.0 110.017 -179.908 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 83' ' ' ASP . . . . . 0.463 ' OD1' ' N ' ' A' ' 84' ' ' ARG . 0.2 OUTLIER 67.38 143.67 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.398 0 O-C-N 124.534 1.146 . . . . 0.0 109.314 -179.968 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.595 ' NH2' HD13 ' A' ' 75' ' ' LEU . 0.0 OUTLIER 179.33 -171.25 0.14 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 110.28 179.921 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 85' ' ' THR . . . . . 0.492 ' HB ' ' CB ' ' A' ' 47' ' ' ASP . 0.7 OUTLIER -134.05 129.72 36.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 0.0 110.463 179.968 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 86' ' ' TYR . . . . . 0.922 ' CZ ' ' CZ3' ' A' ' 80' ' ' TRP . 0.0 OUTLIER -127.44 116.44 20.44 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.485 1.116 . . . . 0.0 111.092 179.929 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 87' ' ' THR . . . . . 1.448 ' HA ' ' CB ' ' A' ' 100' ' ' SER . 8.6 m -139.4 137.71 35.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.669 1.231 . . . . 0.0 110.408 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 88' ' ' CYS . . . . . 1.088 ' HB3' ' CZ3' ' A' ' 44' ' ' TRP . 22.2 p -97.21 100.24 11.71 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.487 1.117 . . . . 0.0 108.332 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 89' ' ' GLN . . . . . 0.441 ' CB ' ' HG3' ' A' ' 98' ' ' GLU . 6.4 tt0 -93.04 116.94 29.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.149 . . . . 0.0 110.333 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 1.061 HG11 HG21 ' A' ' 32' ' ' VAL . 2.7 t -105.03 136.51 38.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.385 1.053 . . . . 0.0 109.283 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 91' ' ' THR . . . . . 0.948 ' O ' ' HB ' ' A' ' 40' ' ' ILE . 1.0 OUTLIER -110.76 165.7 11.62 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.616 1.197 . . . . 0.0 110.326 -179.948 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 92' ' ' TYR . . . . . 0.858 ' CE1' HG12 ' A' ' 90' ' ' VAL . 8.8 m-85 -140.85 156.61 46.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.45 1.094 . . . . 0.0 110.993 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -47.82 -24.79 1.07 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.487 1.117 . . . . 0.0 110.319 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -156.78 35.83 0.57 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.401 1.063 . . . . 0.0 110.973 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 95' ' ' HIS . . . . . 0.509 ' CA ' ' HB2' ' A' ' 92' ' ' TYR . 1.2 t-80 -161.71 178.52 8.92 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.553 0.796 . . . . 0.0 109.591 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.415 ' O ' ' CD2' ' A' ' 97' ' ' PHE . 6.0 t -159.22 167.09 29.91 Favored 'General case' 0 C--N 1.323 -0.576 0 O-C-N 124.519 1.137 . . . . 0.0 110.448 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 97' ' ' PHE . . . . . 0.603 ' CD1' HG11 ' A' ' 9' ' ' VAL . 4.4 m-85 -162.48 161.85 27.24 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.538 1.149 . . . . 0.0 111.033 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 98' ' ' GLU . . . . . 0.441 ' HG3' ' CB ' ' A' ' 89' ' ' GLN . 7.7 tt0 -159.2 115.04 2.56 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.393 1.058 . . . . 0.0 110.289 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 99' ' ' ASP . . . . . 0.567 ' O ' ' SG ' ' A' ' 88' ' ' CYS . 1.0 OUTLIER -144.17 125.12 14.34 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.414 1.071 . . . . 0.0 109.357 -179.973 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 100' ' ' SER . . . . . 1.448 ' CB ' ' HA ' ' A' ' 87' ' ' THR . 0.3 OUTLIER -173.13 -151.32 0.05 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.471 1.107 . . . . 0.0 109.984 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 101' ' ' THR . . . . . 0.8 HG23 ' CD1' ' A' ' 86' ' ' TYR . 3.8 t -138.0 -179.78 5.98 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 110.406 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 102' ' ' LYS . . . . . 0.449 ' N ' ' OG1' ' A' ' 101' ' ' THR . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.516 0 O-C-N 124.586 1.179 . . . . 0.0 109.306 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.595 ' O ' ' HA ' ' A' ' 32' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.451 -0.391 0 N-CA-C 110.426 -0.212 . . . . 0.0 110.426 . . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.679 HG23 ' HB ' ' A' ' 32' ' ' VAL . 3.3 p -128.91 139.7 51.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.52 1.138 . . . . 0.0 109.252 -179.876 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.554 ' N ' ' O ' ' A' ' 31' ' ' LEU . 8.8 tptt -136.89 149.93 47.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 109.268 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.649 HD13 ' SG ' ' A' ' 88' ' ' CYS . 0.5 OUTLIER -128.09 118.71 49.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.426 1.079 . . . . 0.0 109.268 -179.939 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.842 HD13 ' N ' ' A' ' 12' ' ' LEU . 0.0 OUTLIER -128.38 148.09 50.68 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.468 1.105 . . . . 0.0 109.341 -179.944 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -108.97 146.29 34.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.125 . . . . 0.0 110.384 179.86 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.484 ' HB3' ' CB ' ' A' ' 27' ' ' GLN . 6.5 t -132.52 79.13 1.84 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.462 1.101 . . . . 0.0 109.918 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 42.7 t . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.521 1.138 . . . . 0.0 109.971 179.963 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.446 ' HB ' ' O ' ' A' ' 75' ' ' LEU . 82.4 p . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 110.365 -0.235 . . . . 0.0 110.365 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.78 HD12 ' CE3' ' A' ' 80' ' ' TRP . 0.4 OUTLIER -143.51 137.44 25.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.533 1.145 . . . . 0.0 109.305 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.499 ' HA ' ' O ' ' A' ' 73' ' ' LEU . 23.1 mt-30 -115.69 84.92 2.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.378 1.049 . . . . 0.0 110.355 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.893 ' HB2' HD22 ' A' ' 73' ' ' LEU . 1.3 mt -92.62 104.51 16.8 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 109.354 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.716 ' O ' HD22 ' A' ' 12' ' ' LEU . 8.6 mp -104.35 132.71 50.3 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 109.346 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.525 ' CB ' ' HB2' ' A' ' 71' ' ' SER . 0.1 OUTLIER -106.99 116.57 32.16 Favored 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.507 1.129 . . . . 0.0 108.26 -179.96 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.944 ' O ' HD13 ' A' ' 31' ' ' LEU . 0.2 OUTLIER -92.08 113.0 25.15 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.556 1.16 . . . . 0.0 109.295 179.93 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 1.167 HG22 ' CE2' ' A' ' 35' ' ' TYR . 3.7 p -142.6 114.13 3.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.513 1.133 . . . . 0.0 109.265 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.934 ' CB ' ' HA ' ' A' ' 68' ' ' SER . 24.3 p -148.5 -175.94 5.12 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.599 1.187 . . . . 0.0 109.973 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.502 ' O ' ' HB3' ' A' ' 66' ' ' LEU . . . 80.37 -47.65 3.47 Favored Glycine 0 CA--C 1.529 0.923 0 O-C-N 124.352 1.033 . . . . 0.0 111.061 -179.895 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 1.167 ' CE2' HG22 ' A' ' 32' ' ' VAL . 7.4 p90 -60.63 144.93 50.76 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.504 0.767 . . . . 0.0 111.123 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.813 ' O ' ' HB3' ' A' ' 67' ' ' ALA . 7.7 m 48.64 138.34 0.0 OUTLIER Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.42 1.075 . . . . 0.0 110.395 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.405 ' C ' ' HB2' ' A' ' 67' ' ' ALA . 17.9 Cg_endo -75.08 -9.59 20.73 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.656 1.871 . . . . 0.0 111.018 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.686 ' O ' HG22 ' A' ' 39' ' ' THR . . . -124.07 3.55 9.08 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.393 1.058 . . . . 0.0 111.108 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.686 HG22 ' O ' ' A' ' 38' ' ' GLY . 0.8 OUTLIER 95.41 -167.91 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.39 0 O-C-N 124.456 0.739 . . . . 0.0 110.398 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 1.077 HG21 ' CD2' ' A' ' 92' ' ' TYR . 2.0 pt -132.9 -143.11 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.544 1.152 . . . . 0.0 109.226 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ASN . . . . . 0.4 ' HB2' ' HB ' ' A' ' 91' ' ' THR . 8.0 m-80 -111.9 150.19 30.81 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.512 1.132 . . . . 0.0 109.295 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.874 HG21 ' HB3' ' A' ' 58' ' ' ALA . 4.7 mt -115.23 123.27 70.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 109.403 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.531 ' C ' ' CD1' ' A' ' 44' ' ' TRP . 2.6 m -148.98 160.98 42.81 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.582 1.176 . . . . 0.0 110.276 -179.915 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 1.112 ' CZ3' ' HB3' ' A' ' 88' ' ' CYS . 18.9 m95 -145.27 131.34 19.33 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.475 1.109 . . . . 0.0 108.027 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 14.4 tp -94.56 103.7 15.65 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.468 1.105 . . . . 0.0 109.268 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 52.4 tt0 -100.5 86.59 3.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.113 . . . . 0.0 110.341 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.56 ' CB ' ' HB ' ' A' ' 85' ' ' THR . 0.4 OUTLIER . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.399 1.062 . . . . 0.0 109.332 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.542 ' HB2' ' CB ' ' A' ' 75' ' ' LEU . 2.7 p30 . . . . . 0 N--CA 1.454 -0.23 0 N-CA-C 109.238 -0.652 . . . . 0.0 109.238 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 1.12 HD22 ' N ' ' A' ' 56' ' ' SER . 0.0 OUTLIER -139.06 161.84 36.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 109.279 179.883 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 56' ' ' SER . . . . . 1.12 ' N ' HD22 ' A' ' 55' ' ' LEU . 1.4 p -128.21 129.56 46.64 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.444 1.09 . . . . 0.0 109.944 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -130.94 159.42 37.51 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 0.0 110.377 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.874 ' HB3' HG21 ' A' ' 42' ' ' ILE . . . -130.95 152.19 50.54 Favored 'General case' 0 C--N 1.327 -0.403 0 O-C-N 124.424 1.077 . . . . 0.0 109.301 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' SER . . . . . 0.589 ' N ' ' O ' ' A' ' 70' ' ' GLN . 0.1 OUTLIER -105.8 163.11 12.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 0.0 110.001 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 60' ' ' THR . . . . . 0.624 ' CG2' HG21 ' A' ' 39' ' ' THR . 1.4 m -108.65 141.83 40.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 110.43 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' THR . . . . . 0.789 ' OG1' ' O ' ' A' ' 68' ' ' SER . 0.0 OUTLIER -142.84 159.26 42.57 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.601 1.188 . . . . 0.0 110.49 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -102.77 130.78 49.85 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.101 . . . . 0.0 110.331 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -127.82 60.28 1.45 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.618 1.199 . . . . 0.0 110.342 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 73.58 -105.12 1.72 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.36 1.038 . . . . 0.0 111.036 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -100.1 -1.28 37.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 0.755 . . . . 0.0 110.247 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.502 ' HB3' ' O ' ' A' ' 34' ' ' GLY . 0.1 OUTLIER -111.57 176.31 5.07 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.515 1.134 . . . . 0.0 109.309 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.813 ' HB3' ' O ' ' A' ' 36' ' ' THR . . . -127.91 119.52 25.74 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.501 1.125 . . . . 0.0 109.291 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' SER . . . . . 0.934 ' HA ' ' CB ' ' A' ' 33' ' ' SER . 41.9 t -105.5 121.58 44.24 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.51 1.131 . . . . 0.0 109.904 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.927 ' HB ' ' OH ' ' A' ' 35' ' ' TYR . 0.7 OUTLIER -124.05 118.81 27.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.12 . . . . 0.0 110.324 179.91 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.589 ' O ' ' N ' ' A' ' 59' ' ' SER . 5.5 mt-30 -91.12 129.55 37.11 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.583 1.177 . . . . 0.0 110.27 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.73 ' HA ' ' CB ' ' A' ' 58' ' ' ALA . 0.9 OUTLIER -110.9 144.52 39.83 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.383 1.052 . . . . 0.0 109.972 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.637 ' HA ' ' HA ' ' A' ' 29' ' ' LEU . 1.1 mt-10 -136.33 156.16 49.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.422 1.076 . . . . 0.0 110.324 -179.908 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.893 HD22 ' HB2' ' A' ' 28' ' ' LEU . 8.0 tt -138.12 137.53 37.79 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 0.0 109.326 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -136.47 114.63 11.54 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.459 1.099 . . . . 0.0 110.394 -179.888 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 1.037 HD13 ' CE1' ' A' ' 79' ' ' HIS . 0.8 OUTLIER -141.64 158.39 43.88 Favored 'General case' 0 C--N 1.323 -0.56 0 O-C-N 124.575 1.172 . . . . 0.0 109.337 179.913 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 76' ' ' SER . . . . . 0.761 ' O ' HD12 ' A' ' 75' ' ' LEU . 0.5 OUTLIER -84.22 139.28 32.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.428 1.08 . . . . 0.0 109.983 -179.911 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 17.4 tt0 -61.3 -33.75 74.09 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.511 1.132 . . . . 0.0 110.271 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -52.55 -56.96 11.62 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.458 1.099 . . . . 0.0 109.337 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' HIS . . . . . 1.037 ' CE1' HD13 ' A' ' 75' ' ' LEU . 0.0 OUTLIER -54.27 -42.9 70.49 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.454 1.096 . . . . 0.0 109.476 -179.967 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 80' ' ' TRP . . . . . 0.867 ' CE3' ' CZ ' ' A' ' 86' ' ' TYR . 8.5 t-105 -53.0 -35.51 59.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.567 1.167 . . . . 0.0 107.984 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.455 ' C ' ' H ' ' A' ' 83' ' ' ASP . 0.7 OUTLIER -67.45 -37.31 82.79 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.094 . . . . 0.0 109.321 -179.952 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 82' ' ' SER . . . . . 0.423 ' O ' ' HB2' ' A' ' 83' ' ' ASP . 28.1 t -79.34 22.11 0.45 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.581 1.176 . . . . 0.0 109.945 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 83' ' ' ASP . . . . . 0.455 ' H ' ' C ' ' A' ' 81' ' ' LEU . 2.2 m-20 62.92 149.3 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.382 1.051 . . . . 0.0 109.287 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.566 ' CB ' ' NE2' ' A' ' 79' ' ' HIS . 0.0 OUTLIER 179.7 160.88 0.84 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.615 1.197 . . . . 0.0 110.35 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 85' ' ' THR . . . . . 0.56 ' HB ' ' CB ' ' A' ' 47' ' ' ASP . 1.2 m -121.38 101.02 7.36 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.445 1.091 . . . . 0.0 110.406 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 86' ' ' TYR . . . . . 0.867 ' CZ ' ' CE3' ' A' ' 80' ' ' TRP . 0.0 OUTLIER -103.82 120.35 40.8 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.483 1.114 . . . . 0.0 110.99 -179.932 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 87' ' ' THR . . . . . 1.405 ' HA ' ' CB ' ' A' ' 100' ' ' SER . 2.2 m -144.87 133.66 22.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 110.342 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 88' ' ' CYS . . . . . 1.112 ' HB3' ' CZ3' ' A' ' 44' ' ' TRP . 6.4 p -95.8 99.47 11.29 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.56 1.162 . . . . 0.0 108.319 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 4.8 tt0 -92.56 107.72 19.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 110.304 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 1.035 HG11 HG21 ' A' ' 32' ' ' VAL . 0.5 OUTLIER -100.0 122.36 51.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 O-C-N 124.518 1.136 . . . . 0.0 109.215 -179.951 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 91' ' ' THR . . . . . 0.994 ' O ' ' HB ' ' A' ' 40' ' ' ILE . 1.0 OUTLIER -101.29 164.46 11.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.562 1.164 . . . . 0.0 110.359 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 92' ' ' TYR . . . . . 1.077 ' CD2' HG21 ' A' ' 40' ' ' ILE . 1.8 m-85 -134.16 154.24 51.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.41 1.069 . . . . 0.0 110.99 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -50.72 -22.47 2.11 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.585 1.178 . . . . 0.0 110.247 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -152.26 34.35 0.84 Allowed Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.495 1.122 . . . . 0.0 111.026 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 95' ' ' HIS . . . . . 0.523 ' CA ' ' HB2' ' A' ' 92' ' ' TYR . 1.7 t-160 -165.08 176.18 8.77 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.568 0.805 . . . . 0.0 109.654 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 14.6 t -159.16 154.67 25.85 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.521 1.138 . . . . 0.0 110.471 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 97' ' ' PHE . . . . . 0.431 ' CD1' HG11 ' A' ' 9' ' ' VAL . 0.2 OUTLIER -163.68 160.72 23.04 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.544 1.153 . . . . 0.0 110.962 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 98' ' ' GLU . . . . . 0.645 ' HG2' HG22 ' A' ' 87' ' ' THR . 28.1 tt0 -157.15 133.82 10.02 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.111 . . . . 0.0 110.208 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 99' ' ' ASP . . . . . 0.719 ' O ' ' SG ' ' A' ' 88' ' ' CYS . 46.5 m-20 -154.96 127.63 8.02 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.443 1.089 . . . . 0.0 109.418 179.893 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 100' ' ' SER . . . . . 1.405 ' CB ' ' HA ' ' A' ' 87' ' ' THR . 1.1 t -172.41 -151.14 0.06 Allowed 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.471 1.107 . . . . 0.0 109.889 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 101' ' ' THR . . . . . 0.771 HG23 ' CD1' ' A' ' 86' ' ' TYR . 5.0 t -138.53 174.47 10.5 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.433 1.083 . . . . 0.0 110.394 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.449 0 O-C-N 124.703 1.252 . . . . 0.0 109.314 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.631 ' O ' ' HA ' ' A' ' 32' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 110.346 -0.242 . . . . 0.0 110.346 . . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.755 HG11 ' CG ' ' A' ' 97' ' ' PHE . 4.3 p -132.94 142.26 42.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 O-C-N 124.443 1.09 . . . . 0.0 109.161 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.544 ' N ' ' O ' ' A' ' 31' ' ' LEU . 2.8 mttt -142.12 166.33 25.01 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.612 1.195 . . . . 0.0 109.311 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.551 ' CG1' ' O ' ' A' ' 99' ' ' ASP . 0.2 OUTLIER -130.28 120.35 48.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 109.244 -179.972 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.973 HD12 HD13 ' A' ' 31' ' ' LEU . 57.4 mt -124.3 130.82 53.18 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.111 . . . . 0.0 109.399 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' GLN . . . . . 0.477 ' HB3' ' CD2' ' A' ' 28' ' ' LEU . 0.0 OUTLIER -107.49 141.24 39.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.451 1.094 . . . . 0.0 110.285 -179.952 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.462 ' HB3' ' CB ' ' A' ' 27' ' ' GLN . 0.1 OUTLIER -132.5 72.7 1.5 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.609 1.193 . . . . 0.0 109.965 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 3.1 t . . . . . 0 C--N 1.326 -0.434 0 O-C-N 124.486 1.116 . . . . 0.0 109.937 -179.962 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.71 HG22 ' HA ' ' A' ' 76' ' ' SER . 1.1 p . . . . . 0 N--CA 1.452 -0.338 0 N-CA-C 110.493 -0.188 . . . . 0.0 110.493 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 1.04 ' CG2' HD23 ' A' ' 75' ' ' LEU . 2.4 tt -109.8 133.25 55.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 O-C-N 124.454 1.096 . . . . 0.0 109.353 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.493 ' HA ' ' O ' ' A' ' 73' ' ' LEU . 5.7 mt-30 -115.05 77.94 1.12 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 110.31 -179.911 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.614 HD12 HD23 ' A' ' 73' ' ' LEU . 0.5 OUTLIER -96.76 109.3 21.99 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.444 1.09 . . . . 0.0 109.325 -179.938 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.803 ' HA ' ' HA ' ' A' ' 72' ' ' GLU . 0.4 OUTLIER -112.87 131.35 55.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 109.261 -179.926 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.509 ' SG ' ' O ' ' A' ' 10' ' ' LYS . 0.1 OUTLIER -90.87 150.47 21.52 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.125 . . . . 0.0 108.351 179.844 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.973 HD13 HD12 ' A' ' 12' ' ' LEU . 4.2 mp -114.45 96.57 5.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.551 1.157 . . . . 0.0 109.343 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 1.13 HG22 ' CE2' ' A' ' 35' ' ' TYR . 1.3 p -128.63 108.85 18.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.263 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.859 ' CB ' ' HA ' ' A' ' 68' ' ' SER . 6.4 p -148.66 178.99 8.17 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.462 1.101 . . . . 0.0 110.047 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.654 ' HA2' ' HB3' ' A' ' 66' ' ' LEU . . . 81.42 -46.14 3.37 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.513 1.133 . . . . 0.0 111.032 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 1.13 ' CE2' HG22 ' A' ' 32' ' ' VAL . 4.4 p90 -63.07 148.92 46.43 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.577 0.81 . . . . 0.0 111.036 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.9 ' O ' ' HB3' ' A' ' 67' ' ' ALA . 5.8 m 48.03 135.46 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.551 1.157 . . . . 0.0 110.426 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.411 ' C ' ' HB2' ' A' ' 67' ' ' ALA . 18.2 Cg_endo -75.18 -8.43 19.85 Favored 'Trans proline' 0 C--N 1.362 1.242 0 O-C-N 124.455 1.766 . . . . 0.0 110.948 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.597 ' O ' ' CB ' ' A' ' 39' ' ' THR . . . -127.24 6.48 7.2 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.539 1.15 . . . . 0.0 110.993 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.782 HG23 ' N ' ' A' ' 40' ' ' ILE . 0.5 OUTLIER 90.01 -167.97 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.552 0.795 . . . . 0.0 110.424 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.907 ' HB ' ' O ' ' A' ' 91' ' ' THR . 1.1 pt -135.26 -139.83 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.59 1.182 . . . . 0.0 109.328 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ASN . . . . . 0.692 ' O ' HD13 ' A' ' 42' ' ' ILE . 2.2 m-20 -109.4 159.05 17.33 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.429 1.08 . . . . 0.0 109.314 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 1.096 HD11 HG21 ' A' ' 69' ' ' THR . 13.6 mm -125.69 126.59 70.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.689 1.243 . . . . 0.0 109.281 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.48 ' C ' ' CD1' ' A' ' 44' ' ' TRP . 10.1 m -158.8 161.38 36.94 Favored 'General case' 0 C--N 1.323 -0.556 0 O-C-N 124.557 1.161 . . . . 0.0 110.408 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 1.026 ' CZ3' ' HB3' ' A' ' 88' ' ' CYS . 16.4 m95 -140.82 129.42 22.76 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 108.011 -1.107 . . . . 0.0 108.011 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -82.34 97.29 8.25 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.589 1.181 . . . . 0.0 109.255 -179.886 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.475 ' HA ' ' O ' ' A' ' 85' ' ' THR . 5.2 tm-20 -97.67 125.27 42.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.381 1.05 . . . . 0.0 110.288 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.528 ' CB ' ' HB ' ' A' ' 85' ' ' THR . 0.2 OUTLIER . . . . . 0 C--N 1.324 -0.537 0 O-C-N 124.585 1.178 . . . . 0.0 109.293 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.48 ' HB3' ' HB2' ' A' ' 75' ' ' LEU . 9.9 m-20 . . . . . 0 N--CA 1.452 -0.339 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 1.163 HD22 ' N ' ' A' ' 56' ' ' SER . 0.0 OUTLIER -139.73 161.11 38.34 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.612 1.195 . . . . 0.0 109.271 -179.894 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 56' ' ' SER . . . . . 1.163 ' N ' HD22 ' A' ' 55' ' ' LEU . 0.0 OUTLIER -123.79 132.49 53.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.538 1.149 . . . . 0.0 109.985 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.435 ' O ' ' N ' ' A' ' 72' ' ' GLU . 0.3 OUTLIER -134.91 158.36 44.48 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.492 1.12 . . . . 0.0 110.362 -179.883 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.868 ' HB3' HG21 ' A' ' 42' ' ' ILE . . . -130.88 151.35 51.4 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.439 1.087 . . . . 0.0 109.257 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' SER . . . . . 0.544 ' O ' ' HA ' ' A' ' 69' ' ' THR . 0.3 OUTLIER -105.14 154.96 19.49 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.434 1.084 . . . . 0.0 110.04 179.93 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 60' ' ' THR . . . . . 0.583 ' CG2' HG21 ' A' ' 39' ' ' THR . 1.2 m -106.49 142.3 36.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 110.348 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' THR . . . . . 0.722 ' OG1' ' O ' ' A' ' 68' ' ' SER . 0.2 OUTLIER -142.73 156.4 45.01 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.569 1.168 . . . . 0.0 110.362 -179.864 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 11.2 tt0 -100.35 128.24 46.46 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.481 1.113 . . . . 0.0 110.331 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -126.13 62.21 1.26 Allowed 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.494 1.121 . . . . 0.0 110.101 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 74.5 -105.5 1.87 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.447 1.092 . . . . 0.0 110.95 179.852 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -101.21 0.28 37.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 0.782 . . . . 0.0 110.309 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.654 ' HB3' ' HA2' ' A' ' 34' ' ' GLY . 6.6 mt -111.93 177.88 4.5 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.576 1.172 . . . . 0.0 109.373 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.9 ' HB3' ' O ' ' A' ' 36' ' ' THR . . . -132.14 118.49 19.66 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.593 1.183 . . . . 0.0 109.252 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' SER . . . . . 0.859 ' HA ' ' CB ' ' A' ' 33' ' ' SER . 48.5 t -102.72 122.93 45.45 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 109.992 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' THR . . . . . 1.096 HG21 HD11 ' A' ' 42' ' ' ILE . 0.9 OUTLIER -126.9 120.36 29.01 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.503 1.127 . . . . 0.0 110.341 179.962 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.576 ' O ' ' HA ' ' A' ' 58' ' ' ALA . 1.2 tt0 -98.69 124.29 43.42 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.457 1.098 . . . . 0.0 110.261 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.796 ' HA ' ' CB ' ' A' ' 58' ' ' ALA . 1.2 t -102.57 148.54 25.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.629 1.206 . . . . 0.0 110.01 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.803 ' HA ' ' HA ' ' A' ' 29' ' ' LEU . 51.7 tt0 -138.89 161.2 37.87 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.522 1.139 . . . . 0.0 110.303 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.846 HD12 ' H ' ' A' ' 74' ' ' THR . 3.4 tp -140.68 139.01 34.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 0.0 109.232 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.846 ' H ' HD12 ' A' ' 73' ' ' LEU . 0.0 OUTLIER -135.99 114.33 11.62 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.487 1.117 . . . . 0.0 110.298 -179.915 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 1.04 HD23 ' CG2' ' A' ' 26' ' ' ILE . 0.1 OUTLIER -140.17 163.98 31.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.122 . . . . 0.0 109.245 179.965 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 76' ' ' SER . . . . . 0.71 ' HA ' HG22 ' A' ' 25' ' ' THR . 0.4 OUTLIER -86.18 144.16 27.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 110.0 -179.965 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 7.2 tp60 -62.14 -44.71 96.03 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.608 1.192 . . . . 0.0 110.358 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 46.1 tttt -51.88 -47.21 64.62 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.405 1.066 . . . . 0.0 109.234 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' HIS . . . . . 0.52 ' O ' ' NE ' ' A' ' 84' ' ' ARG . 58.3 m80 -56.0 -42.71 76.82 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.106 . . . . 0.0 109.63 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 80' ' ' TRP . . . . . 0.867 ' CZ3' ' CD1' ' A' ' 26' ' ' ILE . 6.9 t-105 -59.01 -31.5 68.87 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -62.63 -39.93 95.4 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.461 1.1 . . . . 0.0 109.311 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' SER . . . . . 0.457 ' HB3' HH21 ' A' ' 84' ' ' ARG . 3.1 m -72.05 -1.39 14.57 Favored 'General case' 0 C--N 1.327 -0.403 0 O-C-N 124.444 1.09 . . . . 0.0 110.017 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 83' ' ' ASP . . . . . 0.494 ' OD1' ' C ' ' A' ' 83' ' ' ASP . 0.0 OUTLIER 66.63 145.44 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 0.0 109.267 -179.97 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.689 ' HG3' ' CE2' ' A' ' 86' ' ' TYR . 0.0 OUTLIER -172.6 -173.87 1.08 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.524 1.14 . . . . 0.0 110.222 -179.899 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 85' ' ' THR . . . . . 0.528 ' HB ' ' CB ' ' A' ' 47' ' ' ASP . 2.8 m -127.45 97.16 4.78 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.575 1.172 . . . . 0.0 110.447 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 86' ' ' TYR . . . . . 0.814 ' CD1' HG23 ' A' ' 101' ' ' THR . 0.1 OUTLIER -108.03 102.33 11.51 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 110.988 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 87' ' ' THR . . . . . 1.433 ' HA ' ' CB ' ' A' ' 100' ' ' SER . 1.8 m -127.59 144.67 51.05 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.554 1.159 . . . . 0.0 110.433 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 88' ' ' CYS . . . . . 1.026 ' HB3' ' CZ3' ' A' ' 44' ' ' TRP . 29.8 p -95.15 102.24 14.04 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.524 1.14 . . . . 0.0 108.239 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 89' ' ' GLN . . . . . 0.515 ' H ' ' HA ' ' A' ' 44' ' ' TRP . 0.6 OUTLIER -94.6 108.7 20.66 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.558 1.162 . . . . 0.0 110.284 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 1.054 HG11 HG21 ' A' ' 32' ' ' VAL . 3.0 t -98.62 136.99 27.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.431 1.082 . . . . 0.0 109.278 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 91' ' ' THR . . . . . 0.907 ' O ' ' HB ' ' A' ' 40' ' ' ILE . 0.9 OUTLIER -110.08 169.63 8.6 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.42 1.075 . . . . 0.0 110.439 179.966 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 92' ' ' TYR . . . . . 0.824 ' CD2' HG21 ' A' ' 40' ' ' ILE . 14.7 m-85 -144.68 157.13 44.32 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.387 1.054 . . . . 0.0 110.949 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -46.83 -26.09 0.89 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.546 1.154 . . . . 0.0 110.408 179.86 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -157.09 35.8 0.56 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.484 1.115 . . . . 0.0 111.063 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 95' ' ' HIS . . . . . 0.501 ' CA ' ' HB2' ' A' ' 92' ' ' TYR . 6.7 t60 -158.16 173.94 15.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 0.777 . . . . 0.0 109.57 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 5.7 t -160.37 165.01 31.97 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.433 1.083 . . . . 0.0 110.338 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 97' ' ' PHE . . . . . 0.755 ' CG ' HG11 ' A' ' 9' ' ' VAL . 8.5 t80 -176.32 161.11 2.22 Favored 'General case' 0 N--CA 1.451 -0.406 0 O-C-N 124.447 1.092 . . . . 0.0 111.007 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 98' ' ' GLU . . . . . 0.51 ' HG2' HG22 ' A' ' 87' ' ' THR . 29.6 tt0 -157.2 134.94 10.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 110.381 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 99' ' ' ASP . . . . . 0.554 ' HB2' ' CZ ' ' A' ' 97' ' ' PHE . 0.5 OUTLIER -156.76 129.66 7.78 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.492 1.12 . . . . 0.0 109.244 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 100' ' ' SER . . . . . 1.433 ' CB ' ' HA ' ' A' ' 87' ' ' THR . 0.6 OUTLIER -174.49 -146.03 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.517 1.136 . . . . 0.0 109.929 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 101' ' ' THR . . . . . 0.814 HG23 ' CD1' ' A' ' 86' ' ' TYR . 2.1 t -135.62 -175.59 4.0 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.529 1.143 . . . . 0.0 110.453 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 102' ' ' LYS . . . . . 0.539 ' HA ' ' CE1' ' A' ' 86' ' ' TYR . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.309 1.006 . . . . 0.0 109.266 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.567 HG22 ' O ' ' A' ' 33' ' ' SER . 1.8 t . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 110.458 -0.201 . . . . 0.0 110.458 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.744 HG23 ' HB ' ' A' ' 32' ' ' VAL . 3.1 p -134.05 147.5 30.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 0.0 109.285 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.517 ' N ' ' O ' ' A' ' 31' ' ' LEU . 12.3 mtpt -134.76 164.88 26.55 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.53 1.144 . . . . 0.0 109.282 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.503 HG13 ' N ' ' A' ' 100' ' ' SER . 0.4 OUTLIER -131.41 122.63 51.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.542 1.151 . . . . 0.0 109.218 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.928 HD12 HD13 ' A' ' 31' ' ' LEU . 40.6 mt -127.68 129.3 46.92 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.529 1.143 . . . . 0.0 109.294 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -105.23 138.82 40.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.542 1.151 . . . . 0.0 110.253 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.473 ' HB3' ' CB ' ' A' ' 27' ' ' GLN . 0.1 OUTLIER -132.91 73.76 1.54 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.538 1.149 . . . . 0.0 110.017 179.901 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 80.9 p . . . . . 0 C--N 1.324 -0.527 0 O-C-N 124.441 1.088 . . . . 0.0 110.029 -179.955 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.498 ' OG1' ' N ' ' A' ' 26' ' ' ILE . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.353 0 N-CA-C 110.396 -0.224 . . . . 0.0 110.396 . . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.958 HD12 ' CE3' ' A' ' 80' ' ' TRP . 0.6 OUTLIER -107.82 135.75 45.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.578 1.174 . . . . 0.0 109.329 179.905 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.515 ' HA ' ' O ' ' A' ' 73' ' ' LEU . 2.1 mt-30 -118.28 78.99 1.31 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 110.346 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.903 HD12 HD22 ' A' ' 73' ' ' LEU . 1.5 mt -96.98 107.95 20.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.277 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.684 HD12 ' HB2' ' A' ' 12' ' ' LEU . 0.4 OUTLIER -115.12 129.63 56.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.14 . . . . 0.0 109.313 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.537 ' O ' HD12 ' A' ' 31' ' ' LEU . 87.9 m -91.22 167.89 12.0 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.656 1.223 . . . . 0.0 108.281 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.928 HD13 HD12 ' A' ' 12' ' ' LEU . 4.9 mp -127.64 94.88 4.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.13 . . . . 0.0 109.311 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 1.085 HG22 ' CE2' ' A' ' 35' ' ' TYR . 2.5 p -122.13 119.5 58.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.604 1.19 . . . . 0.0 109.3 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.927 ' CB ' ' HA ' ' A' ' 68' ' ' SER . 12.6 p -156.04 -177.33 6.5 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.555 1.16 . . . . 0.0 109.978 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.703 ' CA ' HD23 ' A' ' 66' ' ' LEU . . . 80.56 -45.91 3.18 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.411 1.069 . . . . 0.0 110.934 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 1.085 ' CE2' HG22 ' A' ' 32' ' ' VAL . 4.2 p90 -63.4 152.6 37.72 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.629 0.84 . . . . 0.0 111.028 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.915 ' O ' ' HB3' ' A' ' 67' ' ' ALA . 4.0 m 50.65 144.31 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 110.389 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.614 ' HD2' HG22 ' A' ' 36' ' ' THR . 18.5 Cg_endo -74.89 -13.23 21.72 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.488 1.783 . . . . 0.0 111.077 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.556 ' O ' ' CB ' ' A' ' 39' ' ' THR . . . -123.95 -52.08 0.2 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.56 1.162 . . . . 0.0 110.993 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.727 ' OG1' HG23 ' A' ' 60' ' ' THR . 0.9 OUTLIER 162.12 173.06 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.56 0 O-C-N 124.567 0.804 . . . . 0.0 110.424 -179.956 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.903 ' HB ' ' O ' ' A' ' 91' ' ' THR . 1.3 pt -117.05 -139.51 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 O-C-N 124.465 1.103 . . . . 0.0 109.245 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ASN . . . . . 0.679 ' CB ' HG22 ' A' ' 91' ' ' THR . 10.1 t-20 -113.66 152.31 30.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.585 1.178 . . . . 0.0 109.242 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.886 HG21 ' CB ' ' A' ' 58' ' ' ALA . 3.6 mt -122.24 118.51 55.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.1 . . . . 0.0 109.338 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.501 ' C ' ' CD1' ' A' ' 44' ' ' TRP . 3.2 m -149.25 161.41 42.07 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.453 1.095 . . . . 0.0 110.488 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 1.025 ' CZ3' ' HB3' ' A' ' 88' ' ' CYS . 13.2 m95 -141.55 130.27 22.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.571 1.169 . . . . 0.0 108.016 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -100.54 118.21 36.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.552 1.157 . . . . 0.0 109.27 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -99.51 155.85 17.35 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.527 1.142 . . . . 0.0 110.378 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.489 ' HB3' ' CG2' ' A' ' 85' ' ' THR . 0.3 OUTLIER . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.463 1.102 . . . . 0.0 109.301 -179.906 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.576 ' CB ' ' HB2' ' A' ' 75' ' ' LEU . 8.7 p-10 . . . . . 0 N--CA 1.454 -0.264 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 1.176 HD22 ' N ' ' A' ' 56' ' ' SER . 0.0 OUTLIER -137.9 155.07 49.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.422 1.077 . . . . 0.0 109.261 179.956 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 56' ' ' SER . . . . . 1.176 ' N ' HD22 ' A' ' 55' ' ' LEU . 0.1 OUTLIER -125.06 129.16 49.7 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.559 1.162 . . . . 0.0 109.938 -179.868 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.482 ' O ' ' N ' ' A' ' 72' ' ' GLU . 0.3 OUTLIER -131.78 160.16 36.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.55 1.156 . . . . 0.0 110.358 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.886 ' CB ' HG21 ' A' ' 42' ' ' ILE . . . -129.82 156.0 45.07 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.43 1.081 . . . . 0.0 109.393 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' SER . . . . . 0.545 ' O ' ' HA ' ' A' ' 69' ' ' THR . 1.3 t -104.83 169.49 8.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.612 1.195 . . . . 0.0 109.967 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' THR . . . . . 0.727 HG23 ' OG1' ' A' ' 39' ' ' THR . 1.9 m -106.85 145.54 32.03 Favored 'General case' 0 C--N 1.326 -0.413 0 O-C-N 124.515 1.134 . . . . 0.0 110.382 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' THR . . . . . 0.517 ' OG1' ' CB ' ' A' ' 68' ' ' SER . 0.6 OUTLIER -138.44 156.25 47.74 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.501 1.126 . . . . 0.0 110.389 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -118.26 133.21 56.08 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.38 1.05 . . . . 0.0 110.312 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -138.07 63.24 1.54 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.567 1.167 . . . . 0.0 110.371 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 71.57 -106.67 1.96 Allowed Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.52 1.137 . . . . 0.0 110.977 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -95.97 -1.64 48.66 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.495 0.762 . . . . 0.0 110.333 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.703 HD23 ' CA ' ' A' ' 34' ' ' GLY . 2.6 mp -105.86 166.29 10.58 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.371 1.044 . . . . 0.0 109.395 179.853 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.915 ' HB3' ' O ' ' A' ' 36' ' ' THR . . . -133.17 118.99 19.32 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.46 1.1 . . . . 0.0 109.237 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' SER . . . . . 0.927 ' HA ' ' CB ' ' A' ' 33' ' ' SER . 9.4 t -95.66 176.22 6.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.41 1.069 . . . . 0.0 110.081 179.885 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.692 ' HB ' ' OH ' ' A' ' 35' ' ' TYR . 1.1 m -169.53 119.68 0.67 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.13 . . . . 0.0 110.317 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.646 ' O ' ' HA ' ' A' ' 58' ' ' ALA . 37.0 tt0 -95.66 111.79 23.65 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.427 1.08 . . . . 0.0 110.307 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.775 ' HA ' ' CB ' ' A' ' 58' ' ' ALA . 0.1 OUTLIER -94.63 139.61 30.97 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.495 1.122 . . . . 0.0 110.053 179.953 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.65 ' HA ' ' HA ' ' A' ' 29' ' ' LEU . 0.4 OUTLIER -135.64 155.67 50.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.378 1.049 . . . . 0.0 110.387 -179.965 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.903 HD22 HD12 ' A' ' 28' ' ' LEU . 9.7 tt -137.28 138.7 40.32 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.58 1.175 . . . . 0.0 109.326 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.474 ' HA ' ' O ' ' A' ' 26' ' ' ILE . 0.0 OUTLIER -136.05 118.28 15.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 110.365 -179.942 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.798 HD23 HG21 ' A' ' 26' ' ' ILE . 0.3 OUTLIER -143.43 163.84 31.96 Favored 'General case' 0 N--CA 1.45 -0.432 0 O-C-N 124.459 1.099 . . . . 0.0 109.292 179.97 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 76' ' ' SER . . . . . 0.721 ' O ' HD12 ' A' ' 75' ' ' LEU . 22.8 t -85.38 131.75 34.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 109.958 -179.908 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.65 -30.01 41.03 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.513 1.133 . . . . 0.0 110.245 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 7.7 tttt -53.95 -54.67 35.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.248 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -56.59 -37.77 71.09 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.479 1.112 . . . . 0.0 109.578 -179.858 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 80' ' ' TRP . . . . . 0.958 ' CE3' HD12 ' A' ' 26' ' ' ILE . 27.9 t-105 -61.18 -36.41 79.78 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 108.008 -1.108 . . . . 0.0 108.008 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -68.2 -35.78 78.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.427 1.079 . . . . 0.0 109.297 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 82' ' ' SER . . . . . 0.587 ' O ' ' HB3' ' A' ' 83' ' ' ASP . 21.1 t -77.6 7.97 4.95 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.517 1.135 . . . . 0.0 110.008 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 83' ' ' ASP . . . . . 0.587 ' HB3' ' O ' ' A' ' 82' ' ' SER . 0.5 OUTLIER 69.36 147.38 0.06 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.496 1.122 . . . . 0.0 109.275 179.953 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.566 HH21 ' CB ' ' A' ' 82' ' ' SER . 0.0 OUTLIER -178.64 175.29 1.1 Allowed 'General case' 0 C--N 1.327 -0.403 0 O-C-N 124.454 1.096 . . . . 0.0 110.338 -179.938 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 85' ' ' THR . . . . . 0.489 ' CG2' ' HB3' ' A' ' 47' ' ' ASP . 0.9 OUTLIER -135.8 110.29 8.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.13 . . . . 0.0 110.407 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 86' ' ' TYR . . . . . 0.906 ' CE1' ' CZ3' ' A' ' 80' ' ' TRP . 0.0 OUTLIER -108.91 137.15 47.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.549 1.155 . . . . 0.0 111.041 179.982 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 87' ' ' THR . . . . . 1.161 ' HA ' ' CB ' ' A' ' 100' ' ' SER . 0.2 OUTLIER -149.23 124.58 10.24 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.456 1.097 . . . . 0.0 110.323 -179.928 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 88' ' ' CYS . . . . . 1.025 ' HB3' ' CZ3' ' A' ' 44' ' ' TRP . 5.0 p -84.43 99.09 10.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.641 1.213 . . . . 0.0 108.304 179.9 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 89' ' ' GLN . . . . . 0.478 ' HA ' ' O ' ' A' ' 97' ' ' PHE . 34.7 tt0 -88.64 101.84 14.37 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.42 1.075 . . . . 0.0 110.312 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 1.018 HG11 HG21 ' A' ' 32' ' ' VAL . 2.7 t -93.75 125.44 46.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.438 1.086 . . . . 0.0 109.317 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 91' ' ' THR . . . . . 0.903 ' O ' ' HB ' ' A' ' 40' ' ' ILE . 0.4 OUTLIER -98.78 170.18 8.95 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.574 1.172 . . . . 0.0 110.384 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 92' ' ' TYR . . . . . 0.917 ' CE1' HG12 ' A' ' 90' ' ' VAL . 7.9 m-85 -145.65 157.11 44.0 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.566 1.166 . . . . 0.0 111.007 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 1.5 pp0? -46.98 -24.44 0.61 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.414 1.071 . . . . 0.0 110.3 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -158.52 36.16 0.51 Allowed Glycine 0 CA--C 1.531 1.073 0 O-C-N 124.484 1.115 . . . . 0.0 111.062 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 95' ' ' HIS . . . . . 0.499 ' CA ' ' HB2' ' A' ' 92' ' ' TYR . 3.6 t-80 -161.11 176.44 11.31 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.564 0.803 . . . . 0.0 109.731 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 6.0 t -158.22 165.75 34.1 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.46 1.1 . . . . 0.0 110.43 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 97' ' ' PHE . . . . . 0.564 ' CD1' HG11 ' A' ' 9' ' ' VAL . 0.3 OUTLIER -168.31 165.71 12.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.437 1.086 . . . . 0.0 110.999 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 98' ' ' GLU . . . . . 0.477 ' HG2' ' CG2' ' A' ' 87' ' ' THR . 17.5 tt0 -160.41 125.57 3.87 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.525 1.141 . . . . 0.0 110.164 -179.885 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 99' ' ' ASP . . . . . 0.595 ' O ' ' SG ' ' A' ' 88' ' ' CYS . 18.5 m-20 -155.4 129.23 8.62 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.501 1.126 . . . . 0.0 109.291 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 100' ' ' SER . . . . . 1.161 ' CB ' ' HA ' ' A' ' 87' ' ' THR . 41.0 t -164.59 -139.88 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 0.0 110.04 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 101' ' ' THR . . . . . 0.621 HG23 ' CD1' ' A' ' 86' ' ' TYR . 9.0 t -134.36 173.01 12.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 110.413 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.323 -0.552 0 O-C-N 124.484 1.115 . . . . 0.0 109.291 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.524 ' O ' ' HA ' ' A' ' 32' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 110.437 -0.209 . . . . 0.0 110.437 . . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.656 HG23 ' HB ' ' A' ' 32' ' ' VAL . 2.6 p -132.16 141.59 44.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 109.297 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.57 ' CB ' HD12 ' A' ' 31' ' ' LEU . 2.7 mptt -136.02 159.91 40.25 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.487 1.117 . . . . 0.0 109.237 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.495 ' HA ' HD13 ' A' ' 11' ' ' ILE . 0.1 OUTLIER -132.71 116.27 26.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 109.379 179.916 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.662 ' CD1' HD11 ' A' ' 31' ' ' LEU . 80.8 mt -122.86 133.58 54.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.564 1.165 . . . . 0.0 109.227 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' GLN . . . . . 0.821 ' HB3' HD23 ' A' ' 28' ' ' LEU . 0.0 OUTLIER -105.6 145.23 31.26 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.505 1.128 . . . . 0.0 110.278 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.455 ' HB3' ' CB ' ' A' ' 27' ' ' GLN . 0.1 OUTLIER -133.15 76.8 1.7 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.571 1.169 . . . . 0.0 110.017 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 25.9 t . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 110.042 179.971 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.891 HG22 ' HA ' ' A' ' 76' ' ' SER . 2.1 p . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 110.389 -0.226 . . . . 0.0 110.389 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.807 HD12 ' CE3' ' A' ' 80' ' ' TRP . 0.0 OUTLIER -132.23 133.52 60.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.624 1.202 . . . . 0.0 109.198 -179.965 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.532 ' HA ' ' O ' ' A' ' 73' ' ' LEU . 0.0 OUTLIER -117.58 84.28 2.13 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.518 1.136 . . . . 0.0 110.282 179.861 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.821 HD23 ' HB3' ' A' ' 13' ' ' GLN . 0.2 OUTLIER -100.74 108.48 20.33 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.445 1.091 . . . . 0.0 109.301 179.962 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.76 ' HA ' ' HA ' ' A' ' 72' ' ' GLU . 0.4 OUTLIER -111.73 129.17 56.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.646 1.216 . . . . 0.0 109.318 179.958 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.448 ' CB ' ' HB2' ' A' ' 71' ' ' SER . 0.1 OUTLIER -91.11 142.5 27.68 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.489 1.118 . . . . 0.0 108.325 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.662 HD11 ' CD1' ' A' ' 12' ' ' LEU . 0.0 OUTLIER -112.08 98.25 7.21 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.58 1.175 . . . . 0.0 109.323 179.89 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 1.089 HG21 HG11 ' A' ' 90' ' ' VAL . 2.7 p -128.45 120.07 51.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.524 1.14 . . . . 0.0 109.367 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.929 ' CB ' ' HA ' ' A' ' 68' ' ' SER . 10.8 p -156.48 178.8 9.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.459 1.1 . . . . 0.0 110.013 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.412 ' HA2' ' HB3' ' A' ' 66' ' ' LEU . . . 84.82 -44.29 3.35 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.527 1.142 . . . . 0.0 110.969 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 1.085 ' CE2' HG22 ' A' ' 32' ' ' VAL . 4.9 p90 -65.69 155.76 35.02 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.486 0.757 . . . . 0.0 110.923 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.855 ' O ' ' HB3' ' A' ' 67' ' ' ALA . 3.6 m 48.83 144.17 0.01 OUTLIER Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.392 1.058 . . . . 0.0 110.378 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.604 ' HD2' HG22 ' A' ' 36' ' ' THR . 18.6 Cg_endo -75.0 -12.78 21.52 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.443 1.76 . . . . 0.0 110.935 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.57 ' O ' ' CB ' ' A' ' 39' ' ' THR . . . -124.94 -51.88 0.18 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.4 1.062 . . . . 0.0 110.999 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.665 ' O ' HG21 ' A' ' 36' ' ' THR . 0.9 OUTLIER 161.26 172.21 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.511 0.771 . . . . 0.0 110.418 179.975 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.961 ' HB ' ' O ' ' A' ' 91' ' ' THR . 1.3 pt -116.45 -142.59 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.531 1.144 . . . . 0.0 109.344 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ASN . . . . . 0.529 ' C ' HD12 ' A' ' 42' ' ' ILE . 0.0 OUTLIER -112.12 128.31 56.18 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.541 1.15 . . . . 0.0 109.36 179.959 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 1.127 HG21 ' HB3' ' A' ' 58' ' ' ALA . 0.5 OUTLIER -106.19 117.28 51.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.57 1.169 . . . . 0.0 109.236 -179.935 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.619 HG22 ' O ' ' A' ' 89' ' ' GLN . 8.8 t -149.42 166.54 28.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 110.398 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 1.008 ' CZ3' ' HB3' ' A' ' 88' ' ' CYS . 11.4 m95 -139.49 128.59 23.77 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 0.0 108.007 179.888 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 10.0 tp -88.5 111.6 22.02 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.471 1.107 . . . . 0.0 109.25 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -100.94 142.96 31.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 110.359 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.54 ' CB ' ' HB ' ' A' ' 85' ' ' THR . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.616 1.197 . . . . 0.0 109.298 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.593 ' HB2' ' CB ' ' A' ' 75' ' ' LEU . 2.6 p30 . . . . . 0 N--CA 1.451 -0.38 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 1.146 HD22 ' N ' ' A' ' 56' ' ' SER . 0.0 OUTLIER -138.34 159.72 41.34 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.54 1.15 . . . . 0.0 109.369 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 56' ' ' SER . . . . . 1.146 ' N ' HD22 ' A' ' 55' ' ' LEU . 0.0 OUTLIER -125.64 134.46 51.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 109.937 -179.943 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -132.48 153.75 50.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.448 1.093 . . . . 0.0 110.341 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 1.127 ' HB3' HG21 ' A' ' 42' ' ' ILE . . . -134.94 151.81 51.18 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.487 1.117 . . . . 0.0 109.29 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' SER . . . . . 0.618 ' O ' ' HA ' ' A' ' 69' ' ' THR . 0.6 OUTLIER -109.72 161.44 15.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 109.996 -179.946 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 2.2 t -104.13 146.59 28.52 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.507 1.129 . . . . 0.0 110.416 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -139.56 160.83 38.94 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.505 1.128 . . . . 0.0 110.397 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 3.0 mp0 -107.84 130.68 54.97 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.54 1.15 . . . . 0.0 110.272 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 1.056 ' O ' HD12 ' A' ' 66' ' ' LEU . 20.5 mt-10 -130.68 64.42 1.56 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 110.338 179.898 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 71.31 -107.16 2.08 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.608 1.193 . . . . 0.0 111.011 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -95.84 -2.99 46.33 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.531 0.783 . . . . 0.0 110.37 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 1.056 HD12 ' O ' ' A' ' 63' ' ' GLU . 0.0 OUTLIER -110.0 174.27 5.94 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.112 . . . . 0.0 109.299 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.855 ' HB3' ' O ' ' A' ' 36' ' ' THR . . . -136.05 120.31 17.87 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.497 1.123 . . . . 0.0 109.323 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' SER . . . . . 0.929 ' HA ' ' CB ' ' A' ' 33' ' ' SER . 11.6 t -92.7 175.65 6.73 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.456 1.097 . . . . 0.0 110.005 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.661 ' HB ' ' OH ' ' A' ' 35' ' ' TYR . 1.2 m -170.12 117.66 0.56 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 110.38 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.65 ' O ' ' HA ' ' A' ' 58' ' ' ALA . 0.1 OUTLIER -99.4 120.32 39.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 110.329 179.902 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.92 ' CB ' ' HB2' ' A' ' 58' ' ' ALA . 1.9 m -109.71 145.94 35.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.424 1.077 . . . . 0.0 109.953 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.76 ' HA ' ' HA ' ' A' ' 29' ' ' LEU . 20.6 tt0 -136.87 160.97 37.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.398 1.061 . . . . 0.0 110.31 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.805 HD12 ' H ' ' A' ' 74' ' ' THR . 6.4 tp -138.65 140.46 38.87 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.513 1.133 . . . . 0.0 109.313 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.805 ' H ' HD12 ' A' ' 73' ' ' LEU . 0.0 OUTLIER -136.85 115.6 12.14 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.408 1.068 . . . . 0.0 110.491 -179.984 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.769 HD12 ' O ' ' A' ' 76' ' ' SER . 0.4 OUTLIER -141.91 157.0 45.49 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.453 1.096 . . . . 0.0 109.282 -179.918 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 76' ' ' SER . . . . . 0.891 ' HA ' HG22 ' A' ' 25' ' ' THR . 39.1 t -86.48 137.22 32.7 Favored 'General case' 0 C--N 1.323 -0.583 0 O-C-N 124.523 1.14 . . . . 0.0 110.06 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 4.4 tm0? -52.79 -33.06 47.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.435 1.085 . . . . 0.0 110.308 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -53.52 -52.18 60.45 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.53 1.144 . . . . 0.0 109.316 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 2.9 m80 -58.3 -37.13 74.45 Favored 'General case' 0 C--N 1.327 -0.4 0 O-C-N 124.533 1.146 . . . . 0.0 109.563 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' TRP . . . . . 0.897 ' CZ3' ' CE1' ' A' ' 86' ' ' TYR . 36.7 t-105 -59.64 -44.75 93.38 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.587 1.179 . . . . 0.0 108.089 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -70.02 -31.34 68.94 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.513 1.133 . . . . 0.0 109.322 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' SER . . . . . 0.778 ' HB3' HH21 ' A' ' 84' ' ' ARG . 48.4 t -78.18 9.28 3.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.427 1.079 . . . . 0.0 110.004 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 83' ' ' ASP . . . . . 0.512 ' HB3' ' O ' ' A' ' 82' ' ' SER . 0.2 OUTLIER 68.4 147.18 0.05 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.476 1.11 . . . . 0.0 109.237 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.778 HH21 ' HB3' ' A' ' 82' ' ' SER . 0.1 OUTLIER 178.34 175.8 0.53 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.447 1.092 . . . . 0.0 110.267 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 85' ' ' THR . . . . . 0.54 ' HB ' ' CB ' ' A' ' 47' ' ' ASP . 0.9 OUTLIER -136.92 102.26 4.82 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.529 1.143 . . . . 0.0 110.451 179.938 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 86' ' ' TYR . . . . . 0.897 ' CE1' ' CZ3' ' A' ' 80' ' ' TRP . 0.0 OUTLIER -108.31 123.89 49.5 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.482 1.114 . . . . 0.0 110.993 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 87' ' ' THR . . . . . 1.435 ' HA ' ' CB ' ' A' ' 100' ' ' SER . 50.6 m -144.5 131.82 20.76 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.434 1.084 . . . . 0.0 110.413 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 88' ' ' CYS . . . . . 1.008 ' HB3' ' CZ3' ' A' ' 44' ' ' TRP . 13.5 p -89.5 100.22 13.06 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 0.0 108.386 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 89' ' ' GLN . . . . . 0.619 ' O ' HG22 ' A' ' 43' ' ' THR . 34.6 tt0 -91.47 109.07 20.35 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.594 1.184 . . . . 0.0 110.358 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 1.089 HG11 HG21 ' A' ' 32' ' ' VAL . 2.8 t -100.87 124.86 54.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.53 1.144 . . . . 0.0 109.364 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 91' ' ' THR . . . . . 0.961 ' O ' ' HB ' ' A' ' 40' ' ' ILE . 5.7 m -105.37 165.69 10.95 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.493 1.121 . . . . 0.0 110.415 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 92' ' ' TYR . . . . . 0.958 ' CE1' HG12 ' A' ' 90' ' ' VAL . 3.1 m-85 -140.55 156.59 46.26 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.47 1.106 . . . . 0.0 110.881 -179.896 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 1.1 pt20 -50.48 -20.98 1.29 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.643 1.214 . . . . 0.0 110.332 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -157.23 34.54 0.55 Allowed Glycine 0 CA--C 1.532 1.105 0 O-C-N 124.45 1.094 . . . . 0.0 110.923 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 95' ' ' HIS . . . . . 0.51 ' CA ' ' HB2' ' A' ' 92' ' ' TYR . 4.5 t60 -162.0 178.25 9.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.554 0.797 . . . . 0.0 109.576 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.41 ' HA ' ' HA ' ' A' ' 91' ' ' THR . 5.3 t -160.12 166.2 30.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.565 1.166 . . . . 0.0 110.401 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 97' ' ' PHE . . . . . 0.406 ' HD2' ' CE1' ' A' ' 92' ' ' TYR . 4.3 m-85 -165.56 160.53 17.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 110.933 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 98' ' ' GLU . . . . . 0.481 ' CG ' ' HB2' ' A' ' 89' ' ' GLN . 1.1 tt0 -158.78 119.77 3.34 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.37 1.044 . . . . 0.0 110.303 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 99' ' ' ASP . . . . . 0.49 ' O ' ' SG ' ' A' ' 88' ' ' CYS . 7.0 m-20 -151.52 127.5 10.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.105 . . . . 0.0 109.271 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 100' ' ' SER . . . . . 1.435 ' CB ' ' HA ' ' A' ' 87' ' ' THR . 2.0 t -171.23 -150.77 0.07 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.561 1.163 . . . . 0.0 109.99 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 101' ' ' THR . . . . . 0.678 HG23 ' CD1' ' A' ' 86' ' ' TYR . 10.0 t -136.28 175.52 9.53 Favored 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.37 1.044 . . . . 0.0 110.446 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 0.0 109.332 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.52 ' O ' ' HA ' ' A' ' 32' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 110.442 -0.207 . . . . 0.0 110.442 . . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.736 HG21 ' CE1' ' A' ' 97' ' ' PHE . 6.5 p -134.82 133.43 54.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.558 1.161 . . . . 0.0 109.276 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.629 ' HB2' HD11 ' A' ' 31' ' ' LEU . 0.3 OUTLIER -140.28 152.58 46.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.443 1.09 . . . . 0.0 109.34 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.569 ' CG1' ' HA ' ' A' ' 100' ' ' SER . 0.4 OUTLIER -127.91 109.94 20.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.481 1.113 . . . . 0.0 109.368 179.917 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.91 ' C ' HD22 ' A' ' 12' ' ' LEU . 0.0 OUTLIER -111.15 145.48 38.56 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.417 1.073 . . . . 0.0 109.252 -179.969 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 13' ' ' GLN . . . . . 0.627 ' N ' HD22 ' A' ' 12' ' ' LEU . 0.0 OUTLIER -104.21 143.64 32.67 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.403 1.065 . . . . 0.0 110.384 179.941 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.416 ' HB3' ' CB ' ' A' ' 27' ' ' GLN . 0.1 OUTLIER -132.39 74.02 1.56 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 110.07 -179.97 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 96.2 p . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.439 1.087 . . . . 0.0 110.127 179.958 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.433 ' HB ' ' O ' ' A' ' 75' ' ' LEU . 4.6 p . . . . . 0 N--CA 1.452 -0.341 0 N-CA-C 110.422 -0.214 . . . . 0.0 110.422 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 1.106 HG21 HD23 ' A' ' 75' ' ' LEU . 0.7 OUTLIER -133.58 130.53 56.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.472 1.107 . . . . 0.0 109.248 -179.98 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.416 ' CB ' ' HB3' ' A' ' 14' ' ' SER . 2.9 mt-30 -114.05 84.08 1.98 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.548 1.155 . . . . 0.0 110.321 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.857 ' C ' HD13 ' A' ' 29' ' ' LEU . 4.2 mt -96.46 105.28 17.34 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.545 1.153 . . . . 0.0 109.212 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.866 ' N ' HD13 ' A' ' 29' ' ' LEU . 0.0 OUTLIER -105.76 124.45 49.58 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.448 1.092 . . . . 0.0 109.326 179.937 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.475 ' CB ' ' HB2' ' A' ' 71' ' ' SER . 0.5 OUTLIER -94.85 116.66 29.0 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.57 1.169 . . . . 0.0 108.291 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.629 HD11 ' HB2' ' A' ' 10' ' ' LYS . 3.2 pp -89.64 109.9 20.82 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 109.294 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 1.178 HG22 ' CE2' ' A' ' 35' ' ' TYR . 2.4 p -136.75 108.64 6.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.416 1.072 . . . . 0.0 109.325 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.883 ' CB ' ' HA ' ' A' ' 68' ' ' SER . 12.9 p -147.72 -177.6 5.81 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.521 1.138 . . . . 0.0 109.989 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.632 ' HA2' ' HB3' ' A' ' 66' ' ' LEU . . . 80.81 -47.66 3.57 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.581 1.175 . . . . 0.0 111.06 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 1.178 ' CE2' HG22 ' A' ' 32' ' ' VAL . 11.0 p90 -64.32 154.75 34.38 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.388 0.699 . . . . 0.0 111.009 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.753 HG21 ' O ' ' A' ' 39' ' ' THR . 3.8 m 46.98 139.35 0.0 OUTLIER Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.139 . . . . 0.0 110.405 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.446 ' HD3' ' HA ' ' A' ' 36' ' ' THR . 18.1 Cg_endo -74.99 -15.42 20.78 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.516 1.798 . . . . 0.0 110.949 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.648 ' O ' HG22 ' A' ' 39' ' ' THR . . . -124.47 3.79 8.79 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.507 1.129 . . . . 0.0 110.973 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.753 ' O ' HG21 ' A' ' 36' ' ' THR . 0.6 OUTLIER 92.23 -167.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.567 0.804 . . . . 0.0 110.404 -179.969 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.916 ' HB ' ' O ' ' A' ' 91' ' ' THR . 0.8 OUTLIER -130.67 -141.47 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 109.182 -179.851 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 41' ' ' ASN . . . . . 0.906 ' C ' HD13 ' A' ' 42' ' ' ILE . 46.4 t30 -116.22 162.98 16.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 0.0 109.225 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.906 HD13 ' C ' ' A' ' 41' ' ' ASN . 1.1 mm -115.34 133.12 62.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.546 1.154 . . . . 0.0 109.341 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.586 ' C ' ' CD1' ' A' ' 44' ' ' TRP . 1.9 m -154.81 158.26 39.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 110.353 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 1.113 ' CZ3' ' HB3' ' A' ' 88' ' ' CYS . 20.1 m95 -149.05 130.46 14.75 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.61 1.194 . . . . 0.0 107.949 -179.87 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.424 ' CB ' ' OE1' ' A' ' 98' ' ' GLU . 0.2 OUTLIER -100.51 110.44 22.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.279 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.4 ' HA ' ' O ' ' A' ' 85' ' ' THR . 0.0 OUTLIER -100.15 101.25 12.25 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.55 1.156 . . . . 0.0 110.254 179.972 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.516 ' O ' ' HA ' ' A' ' 84' ' ' ARG . 9.8 t0 . . . . . 0 C--N 1.327 -0.408 0 O-C-N 124.401 1.063 . . . . 0.0 109.365 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.583 ' CB ' ' HB2' ' A' ' 75' ' ' LEU . 4.1 m-20 . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 1.099 HD22 ' N ' ' A' ' 56' ' ' SER . 0.0 OUTLIER -141.96 160.33 40.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.433 1.083 . . . . 0.0 109.249 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 56' ' ' SER . . . . . 1.099 ' N ' HD22 ' A' ' 55' ' ' LEU . 0.2 OUTLIER -129.99 132.96 46.48 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.476 1.11 . . . . 0.0 109.92 -179.965 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -130.79 157.83 41.8 Favored 'General case' 0 C--N 1.327 -0.397 0 O-C-N 124.518 1.136 . . . . 0.0 110.358 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.811 ' HB3' ' CG2' ' A' ' 42' ' ' ILE . . . -134.14 150.5 51.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.42 1.075 . . . . 0.0 109.268 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' SER . . . . . 0.609 ' O ' ' HA ' ' A' ' 69' ' ' THR . 0.5 OUTLIER -108.65 151.83 25.62 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.451 1.094 . . . . 0.0 110.022 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 60' ' ' THR . . . . . 0.55 ' HB ' HG21 ' A' ' 39' ' ' THR . 1.3 t -105.2 142.38 35.06 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.439 1.087 . . . . 0.0 110.474 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' THR . . . . . 0.722 ' OG1' ' O ' ' A' ' 68' ' ' SER . 0.6 OUTLIER -142.75 158.12 43.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.55 1.156 . . . . 0.0 110.341 -179.903 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 5.4 tt0 -95.25 130.41 42.01 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.498 1.124 . . . . 0.0 110.312 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -129.27 63.39 1.5 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.471 1.107 . . . . 0.0 110.269 -179.914 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 73.69 -107.2 2.18 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.459 1.1 . . . . 0.0 111.006 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -100.21 0.01 39.57 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.437 0.728 . . . . 0.0 110.311 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.632 ' HB3' ' HA2' ' A' ' 34' ' ' GLY . 5.7 mp -114.27 -179.38 3.62 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.489 1.118 . . . . 0.0 109.324 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.728 ' HB3' ' O ' ' A' ' 36' ' ' THR . . . -133.98 121.65 21.94 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.131 . . . . 0.0 109.333 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' SER . . . . . 0.883 ' HA ' ' CB ' ' A' ' 33' ' ' SER . 23.0 t -104.2 119.81 39.76 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.549 1.156 . . . . 0.0 109.995 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.714 ' HB ' ' OH ' ' A' ' 35' ' ' TYR . 0.8 OUTLIER -122.76 114.67 20.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.602 1.189 . . . . 0.0 110.383 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.589 ' O ' ' HA ' ' A' ' 58' ' ' ALA . 29.8 pt20 -91.66 127.72 37.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.451 1.095 . . . . 0.0 110.358 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.738 ' CB ' ' HB2' ' A' ' 58' ' ' ALA . 0.8 OUTLIER -111.05 143.07 42.34 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.541 1.151 . . . . 0.0 110.003 179.979 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.648 ' HA ' ' HA ' ' A' ' 29' ' ' LEU . 0.9 OUTLIER -134.11 152.93 52.06 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.487 1.117 . . . . 0.0 110.306 -179.956 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.822 HD13 HD12 ' A' ' 28' ' ' LEU . 6.3 tt -134.44 139.03 45.24 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.564 1.165 . . . . 0.0 109.248 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.773 ' N ' HD23 ' A' ' 73' ' ' LEU . 0.0 OUTLIER -134.32 114.93 13.5 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.446 1.091 . . . . 0.0 110.386 179.94 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 1.106 HD23 HG21 ' A' ' 26' ' ' ILE . 0.1 OUTLIER -142.31 136.77 30.05 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.392 1.058 . . . . 0.0 109.333 -179.971 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 76' ' ' SER . . . . . 0.655 ' O ' HD12 ' A' ' 75' ' ' LEU . 0.4 OUTLIER -71.72 164.33 26.14 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 110.047 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 77' ' ' GLN . . . . . 0.417 ' O ' ' HB3' ' A' ' 80' ' ' TRP . 0.0 OUTLIER -69.85 -39.56 76.33 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.398 1.061 . . . . 0.0 110.303 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 24.6 tttt -51.99 -54.45 29.72 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.486 1.116 . . . . 0.0 109.301 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' HIS . . . . . 0.489 ' CE1' ' HB2' ' A' ' 76' ' ' SER . 7.7 m170 -59.81 -34.73 73.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 109.579 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 80' ' ' TRP . . . . . 0.902 ' CZ3' ' CE1' ' A' ' 86' ' ' TYR . 41.7 t-105 -62.44 -43.85 97.82 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.532 1.145 . . . . 0.0 107.978 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 1.2 tp -67.7 -22.0 65.29 Favored 'General case' 0 C--N 1.323 -0.568 0 O-C-N 124.515 1.134 . . . . 0.0 109.312 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' SER . . . . . 0.851 ' HB3' HH21 ' A' ' 84' ' ' ARG . 0.3 OUTLIER -74.35 -9.68 58.83 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.482 1.114 . . . . 0.0 109.88 -179.934 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 83' ' ' ASP . . . . . 0.663 ' O ' ' CB ' ' A' ' 84' ' ' ARG . 0.3 OUTLIER 87.22 -158.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.583 1.177 . . . . 0.0 109.191 179.961 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.851 HH21 ' HB3' ' A' ' 82' ' ' SER . 5.8 ptp180 100.63 168.74 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.488 1.117 . . . . 0.0 110.241 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 85' ' ' THR . . . . . 0.893 HG23 ' HB3' ' A' ' 102' ' ' LYS . 45.9 m -121.74 112.61 18.61 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.438 1.086 . . . . 0.0 110.4 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 86' ' ' TYR . . . . . 0.902 ' CE1' ' CZ3' ' A' ' 80' ' ' TRP . 0.0 OUTLIER -101.88 92.97 5.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.593 1.183 . . . . 0.0 111.015 -179.968 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 87' ' ' THR . . . . . 1.232 ' HA ' ' CB ' ' A' ' 100' ' ' SER . 0.2 OUTLIER -113.29 139.61 48.69 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 110.449 179.955 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 88' ' ' CYS . . . . . 1.113 ' HB3' ' CZ3' ' A' ' 44' ' ' TRP . 28.1 p -90.17 104.16 16.76 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.496 1.123 . . . . 0.0 108.283 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 89' ' ' GLN . . . . . 0.494 ' H ' ' HA ' ' A' ' 44' ' ' TRP . 3.8 tt0 -93.22 106.25 18.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.56 1.163 . . . . 0.0 110.36 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.909 HG11 HG21 ' A' ' 32' ' ' VAL . 3.4 t -96.4 133.05 39.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.521 1.138 . . . . 0.0 109.342 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 91' ' ' THR . . . . . 0.916 ' O ' ' HB ' ' A' ' 40' ' ' ILE . 0.8 OUTLIER -103.7 163.64 12.19 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.482 1.114 . . . . 0.0 110.396 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 92' ' ' TYR . . . . . 0.817 ' CE1' HG12 ' A' ' 90' ' ' VAL . 27.1 m-85 -140.22 158.61 43.77 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.13 . . . . 0.0 111.038 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -46.56 -27.39 1.11 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.373 1.046 . . . . 0.0 110.261 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -157.11 36.19 0.56 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.408 1.068 . . . . 0.0 111.066 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 95' ' ' HIS . . . . . 0.461 ' CA ' ' HB2' ' A' ' 92' ' ' TYR . 5.8 t60 -158.99 171.34 20.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.559 0.799 . . . . 0.0 109.505 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 8.4 t -161.48 161.18 29.97 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.563 1.165 . . . . 0.0 110.419 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 97' ' ' PHE . . . . . 0.736 ' CE1' HG21 ' A' ' 9' ' ' VAL . 0.0 OUTLIER -169.72 163.48 9.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 0.0 110.982 -179.944 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 98' ' ' GLU . . . . . 0.448 ' HG2' ' CG2' ' A' ' 87' ' ' THR . 32.2 tt0 -155.58 126.52 7.02 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.446 1.091 . . . . 0.0 110.223 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 99' ' ' ASP . . . . . 0.612 ' O ' ' SG ' ' A' ' 88' ' ' CYS . 1.0 OUTLIER -156.48 134.04 10.85 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.651 1.22 . . . . 0.0 109.268 179.986 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 100' ' ' SER . . . . . 1.232 ' CB ' ' HA ' ' A' ' 87' ' ' THR . 3.3 t -171.54 -136.69 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.514 1.134 . . . . 0.0 109.974 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 101' ' ' THR . . . . . 0.759 HG23 ' CD1' ' A' ' 86' ' ' TYR . 8.7 t -133.78 178.5 6.89 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 110.374 -179.915 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 102' ' ' LYS . . . . . 0.893 ' HB3' HG23 ' A' ' 85' ' ' THR . 0.0 OUTLIER . . . . . 0 C--N 1.323 -0.555 0 O-C-N 124.558 1.162 . . . . 0.0 109.261 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.513 ' O ' ' HA ' ' A' ' 32' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.451 -0.385 0 N-CA-C 110.411 -0.218 . . . . 0.0 110.411 . . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.766 HG23 ' HB ' ' A' ' 32' ' ' VAL . 2.2 p -131.64 143.96 38.84 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 O-C-N 124.47 1.106 . . . . 0.0 109.33 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.595 ' N ' ' O ' ' A' ' 31' ' ' LEU . 5.8 mttt -134.85 156.07 49.55 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.487 1.117 . . . . 0.0 109.272 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.813 HD11 HD22 ' A' ' 28' ' ' LEU . 0.0 OUTLIER -128.44 113.71 30.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.507 1.13 . . . . 0.0 109.241 -179.9 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.921 HD12 HD11 ' A' ' 31' ' ' LEU . 95.3 mt -117.8 134.45 54.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.451 1.095 . . . . 0.0 109.299 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -105.32 143.7 33.13 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.425 1.078 . . . . 0.0 110.331 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.413 ' HB2' ' O ' ' A' ' 27' ' ' GLN . 0.1 OUTLIER -132.14 75.58 1.65 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.4 1.062 . . . . 0.0 110.041 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 91.2 p . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 110.031 179.981 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.616 HG22 ' HA ' ' A' ' 76' ' ' SER . 37.4 p . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 110.395 -0.224 . . . . 0.0 110.395 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.898 HD12 ' CZ3' ' A' ' 80' ' ' TRP . 0.1 OUTLIER -132.24 129.16 59.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.451 1.094 . . . . 0.0 109.357 -179.97 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.551 ' HA ' ' O ' ' A' ' 73' ' ' LEU . 1.1 mt-30 -113.81 88.2 2.79 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.417 1.073 . . . . 0.0 110.287 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.813 HD22 HD11 ' A' ' 11' ' ' ILE . 4.8 mt -94.34 100.36 12.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.399 1.062 . . . . 0.0 109.229 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.69 ' HA ' ' HA ' ' A' ' 72' ' ' GLU . 10.6 mp -98.91 120.74 39.86 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.524 1.14 . . . . 0.0 109.272 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.587 ' HB2' ' CZ2' ' A' ' 44' ' ' TRP . 0.0 OUTLIER -93.78 137.01 33.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 108.345 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.921 HD11 HD12 ' A' ' 12' ' ' LEU . 1.2 mp -109.79 108.14 18.37 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.571 1.169 . . . . 0.0 109.299 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 1.061 HG22 ' CE2' ' A' ' 35' ' ' TYR . 3.6 p -132.28 117.75 33.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.353 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.899 ' CB ' ' HA ' ' A' ' 68' ' ' SER . 20.3 p -152.61 -177.03 5.98 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.562 1.164 . . . . 0.0 110.046 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.524 ' CA ' HD23 ' A' ' 66' ' ' LEU . . . 81.42 -47.37 3.6 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.41 1.069 . . . . 0.0 110.987 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 1.061 ' CE2' HG22 ' A' ' 32' ' ' VAL . 5.3 p90 -62.76 158.1 19.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.461 0.742 . . . . 0.0 110.931 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.959 ' O ' ' HB3' ' A' ' 67' ' ' ALA . 4.0 m 45.32 142.71 0.0 OUTLIER Pre-proline 0 C--N 1.326 -0.421 0 O-C-N 124.49 1.119 . . . . 0.0 110.38 -179.912 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.539 ' HD2' HG22 ' A' ' 36' ' ' THR . 18.4 Cg_endo -75.09 -12.03 21.33 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.453 1.765 . . . . 0.0 111.035 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.533 ' O ' ' CB ' ' A' ' 39' ' ' THR . . . -124.03 -53.82 0.19 Allowed Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.502 1.126 . . . . 0.0 111.017 179.891 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.725 ' O ' HG21 ' A' ' 36' ' ' THR . 0.9 OUTLIER 164.34 173.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.453 0.737 . . . . 0.0 110.457 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.928 ' HB ' ' O ' ' A' ' 91' ' ' THR . 1.7 pt -121.55 -141.95 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.464 1.103 . . . . 0.0 109.282 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' ASN . . . . . 0.729 ' CB ' HG22 ' A' ' 91' ' ' THR . 8.6 t-20 -112.83 154.96 25.46 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.102 . . . . 0.0 109.3 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.907 HG21 ' HB3' ' A' ' 58' ' ' ALA . 3.4 mt -126.02 116.9 47.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.552 1.158 . . . . 0.0 109.261 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.533 ' C ' ' CD1' ' A' ' 44' ' ' TRP . 1.7 m -149.25 157.75 43.61 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.512 1.133 . . . . 0.0 110.429 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.983 ' CZ3' ' HB3' ' A' ' 88' ' ' CYS . 7.8 m95 -139.76 129.96 25.21 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.538 1.149 . . . . 0.0 108.009 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.401 ' HB2' ' OE2' ' A' ' 98' ' ' GLU . 0.2 OUTLIER -95.6 118.0 31.49 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.39 1.056 . . . . 0.0 109.29 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.404 ' OE2' ' HG2' ' A' ' 84' ' ' ARG . 4.6 tm-20 -99.08 146.34 26.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 110.331 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.508 ' CB ' ' HB ' ' A' ' 85' ' ' THR . 0.1 OUTLIER . . . . . 0 C--N 1.326 -0.441 0 O-C-N 124.426 1.079 . . . . 0.0 109.264 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.513 ' CB ' ' HB2' ' A' ' 75' ' ' LEU . 47.8 t0 . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 1.115 HD22 ' N ' ' A' ' 56' ' ' SER . 0.0 OUTLIER -134.2 152.58 51.9 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.449 1.093 . . . . 0.0 109.277 -179.942 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 56' ' ' SER . . . . . 1.115 ' N ' HD22 ' A' ' 55' ' ' LEU . 0.0 OUTLIER -129.53 135.68 48.9 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.11 . . . . 0.0 109.947 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.416 ' O ' ' N ' ' A' ' 72' ' ' GLU . 0.2 OUTLIER -129.02 153.25 47.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.603 1.189 . . . . 0.0 110.428 179.929 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.907 ' HB3' HG21 ' A' ' 42' ' ' ILE . . . -133.45 155.04 50.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 109.259 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' SER . . . . . 0.583 ' O ' ' HA ' ' A' ' 69' ' ' THR . 8.6 t -109.51 170.45 8.05 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 110.016 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 2.4 t -104.09 146.97 27.96 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.555 1.159 . . . . 0.0 110.378 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' THR . . . . . 0.532 ' HG1' ' CB ' ' A' ' 68' ' ' SER . 0.6 OUTLIER -137.4 158.95 43.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 110.403 -179.932 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 11.6 mt-30 -116.32 131.99 56.79 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.596 1.185 . . . . 0.0 110.315 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -137.04 63.99 1.55 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.424 1.078 . . . . 0.0 110.305 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 72.24 -108.47 2.5 Favored Glycine 0 CA--C 1.528 0.867 0 O-C-N 124.608 1.193 . . . . 0.0 111.008 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -94.83 -2.07 51.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.363 0.684 . . . . 0.0 110.317 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.524 HD23 ' CA ' ' A' ' 34' ' ' GLY . 2.4 mp -108.26 169.04 8.88 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.42 1.075 . . . . 0.0 109.322 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.959 ' HB3' ' O ' ' A' ' 36' ' ' THR . . . -134.76 121.21 20.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 109.33 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' SER . . . . . 0.899 ' HA ' ' CB ' ' A' ' 33' ' ' SER . 11.7 t -96.43 179.9 4.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.619 1.199 . . . . 0.0 110.078 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.665 ' HB ' ' OH ' ' A' ' 35' ' ' TYR . 1.0 OUTLIER -170.9 122.48 0.59 Allowed 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.407 1.067 . . . . 0.0 110.311 179.894 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.768 ' O ' ' HA ' ' A' ' 58' ' ' ALA . 46.7 mt-30 -97.92 117.26 31.85 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 110.329 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.814 ' CB ' ' HB2' ' A' ' 58' ' ' ALA . 0.7 OUTLIER -106.54 146.33 30.76 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.434 1.084 . . . . 0.0 109.938 -179.957 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.69 ' HA ' ' HA ' ' A' ' 29' ' ' LEU . 0.2 OUTLIER -138.62 151.33 47.15 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.495 1.122 . . . . 0.0 110.333 179.926 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.773 HD22 ' HB2' ' A' ' 28' ' ' LEU . 8.9 tt -131.14 140.82 50.03 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.391 1.057 . . . . 0.0 109.265 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -140.48 117.72 11.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.439 1.087 . . . . 0.0 110.43 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.707 HD21 ' CE2' ' A' ' 86' ' ' TYR . 0.2 OUTLIER -149.91 146.66 27.2 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.511 1.132 . . . . 0.0 109.233 -179.965 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 76' ' ' SER . . . . . 0.616 ' HA ' HG22 ' A' ' 25' ' ' THR . 0.2 OUTLIER -63.76 138.39 58.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 110.075 179.942 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 2.0 mm-40 -67.01 -33.83 76.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.115 . . . . 0.0 110.328 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.18 -53.12 47.17 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 0.0 109.317 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 79' ' ' HIS . . . . . 0.53 ' ND1' ' CZ ' ' A' ' 84' ' ' ARG . 0.5 OUTLIER -60.4 -38.16 83.1 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.609 179.955 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 80' ' ' TRP . . . . . 0.898 ' CZ3' HD12 ' A' ' 26' ' ' ILE . 5.2 t-105 -59.16 -40.29 85.1 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.051 -1.092 . . . . 0.0 108.051 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -68.92 -31.76 70.89 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.444 1.09 . . . . 0.0 109.317 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 82' ' ' SER . . . . . 0.638 ' O ' ' HB2' ' A' ' 83' ' ' ASP . 47.4 m -77.22 5.46 8.41 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.49 1.119 . . . . 0.0 110.042 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 83' ' ' ASP . . . . . 0.638 ' HB2' ' O ' ' A' ' 82' ' ' SER . 26.0 m-20 84.07 148.17 0.07 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.125 . . . . 0.0 109.346 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.53 ' CZ ' ' ND1' ' A' ' 79' ' ' HIS . 0.0 OUTLIER 179.66 170.67 1.07 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.613 1.196 . . . . 0.0 110.289 -179.906 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 85' ' ' THR . . . . . 0.508 ' HB ' ' CB ' ' A' ' 47' ' ' ASP . 1.7 m -138.27 103.12 4.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.593 1.183 . . . . 0.0 110.299 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 86' ' ' TYR . . . . . 0.857 ' CZ ' ' CE3' ' A' ' 80' ' ' TRP . 0.0 OUTLIER -107.78 138.09 44.63 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.473 1.108 . . . . 0.0 111.126 179.89 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 87' ' ' THR . . . . . 1.245 ' HA ' ' CB ' ' A' ' 100' ' ' SER . 0.2 OUTLIER -149.44 124.43 10.0 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.13 . . . . 0.0 110.373 -179.927 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 88' ' ' CYS . . . . . 0.983 ' HB3' ' CZ3' ' A' ' 44' ' ' TRP . 8.9 p -84.79 97.01 9.46 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.457 1.098 . . . . 0.0 108.398 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 89' ' ' GLN . . . . . 0.529 ' CA ' ' HG3' ' A' ' 98' ' ' GLU . 1.6 tt0 -88.69 101.16 13.71 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.454 1.096 . . . . 0.0 110.329 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.976 HG11 HG21 ' A' ' 32' ' ' VAL . 3.3 t -93.79 126.7 46.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.424 1.077 . . . . 0.0 109.275 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 91' ' ' THR . . . . . 0.928 ' O ' ' HB ' ' A' ' 40' ' ' ILE . 0.4 OUTLIER -99.14 171.61 7.9 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 110.405 179.935 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 92' ' ' TYR . . . . . 0.853 ' CE1' HG12 ' A' ' 90' ' ' VAL . 7.8 m-85 -146.95 157.07 43.53 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.548 1.155 . . . . 0.0 110.908 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 93' ' ' GLN . . . . . 0.521 ' HG2' HG23 ' A' ' 36' ' ' THR . 0.3 OUTLIER -46.3 -25.71 0.68 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.486 1.117 . . . . 0.0 110.285 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -157.83 36.24 0.54 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.482 1.114 . . . . 0.0 111.031 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 95' ' ' HIS . . . . . 0.499 ' CA ' ' HB2' ' A' ' 92' ' ' TYR . 2.6 t-80 -161.34 171.33 18.48 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.45 0.736 . . . . 0.0 109.532 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 5.8 t -161.42 161.56 30.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.558 1.161 . . . . 0.0 110.397 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 97' ' ' PHE . . . . . 0.656 ' CD1' HG11 ' A' ' 9' ' ' VAL . 22.9 t80 -171.73 166.37 6.56 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.622 1.202 . . . . 0.0 110.97 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 98' ' ' GLU . . . . . 0.78 ' HG2' HG22 ' A' ' 87' ' ' THR . 14.2 tt0 -149.32 133.47 17.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.42 1.075 . . . . 0.0 110.362 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 99' ' ' ASP . . . . . 0.637 ' O ' ' SG ' ' A' ' 88' ' ' CYS . 0.0 OUTLIER -151.79 123.05 7.72 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.575 1.172 . . . . 0.0 109.222 -179.971 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 100' ' ' SER . . . . . 1.245 ' CB ' ' HA ' ' A' ' 87' ' ' THR . 26.9 t -168.6 -147.88 0.07 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 110.017 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 101' ' ' THR . . . . . 0.831 HG23 ' CD1' ' A' ' 86' ' ' TYR . 4.6 t -134.11 177.34 7.82 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.432 1.082 . . . . 0.0 110.385 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 102' ' ' LYS . . . . . 0.471 ' HB3' HG23 ' A' ' 85' ' ' THR . 16.3 pttt . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.432 1.083 . . . . 0.0 109.28 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.525 ' O ' ' HA ' ' A' ' 32' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.255 0 N-CA-C 110.345 -0.243 . . . . 0.0 110.345 . . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.805 HG23 ' HB ' ' A' ' 32' ' ' VAL . 3.1 p -125.5 145.79 32.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 109.354 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.582 ' N ' ' O ' ' A' ' 31' ' ' LEU . 30.6 mmtt -136.35 155.1 50.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.12 . . . . 0.0 109.246 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.604 HD12 ' N ' ' A' ' 12' ' ' LEU . 0.0 OUTLIER -130.31 109.73 17.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 109.325 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.604 ' N ' HD12 ' A' ' 11' ' ' ILE . 30.9 mt -117.41 137.43 52.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.143 . . . . 0.0 109.294 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -107.68 150.26 27.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.561 1.163 . . . . 0.0 110.332 -179.912 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.476 ' HB2' ' CB ' ' A' ' 27' ' ' GLN . 2.2 m -132.46 72.74 1.5 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.421 1.076 . . . . 0.0 109.975 -179.915 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 7.0 t . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.563 1.165 . . . . 0.0 110.018 -179.999 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.512 HG22 ' HA ' ' A' ' 76' ' ' SER . 24.8 p . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 110.386 -0.227 . . . . 0.0 110.386 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 1.025 HG23 HD13 ' A' ' 75' ' ' LEU . 0.3 OUTLIER -135.4 136.97 50.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 O-C-N 124.495 1.122 . . . . 0.0 109.294 179.954 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.52 ' HA ' ' O ' ' A' ' 73' ' ' LEU . 0.6 OUTLIER -114.32 96.19 5.66 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.489 1.118 . . . . 0.0 110.236 -179.973 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.627 ' O ' ' CB ' ' A' ' 73' ' ' LEU . 3.5 mt -101.08 103.31 14.4 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.52 1.138 . . . . 0.0 109.297 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.746 ' HA ' ' HA ' ' A' ' 72' ' ' GLU . 0.4 OUTLIER -110.11 128.91 55.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.403 1.064 . . . . 0.0 109.341 179.966 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.479 ' SG ' ' O ' ' A' ' 10' ' ' LYS . 0.1 OUTLIER -93.66 135.52 34.87 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.469 1.105 . . . . 0.0 108.315 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.582 ' O ' ' N ' ' A' ' 10' ' ' LYS . 3.4 mp -103.12 100.95 10.89 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.572 1.17 . . . . 0.0 109.268 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 1.214 HG22 ' CE2' ' A' ' 35' ' ' TYR . 3.8 p -131.42 122.1 49.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 O-C-N 124.52 1.137 . . . . 0.0 109.268 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.904 ' CB ' ' HA ' ' A' ' 68' ' ' SER . 21.7 p -154.98 -176.0 5.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.12 . . . . 0.0 109.929 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.533 ' O ' ' HB3' ' A' ' 66' ' ' LEU . . . 78.81 -47.24 3.04 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.456 1.098 . . . . 0.0 110.987 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 1.214 ' CE2' HG22 ' A' ' 32' ' ' VAL . 12.1 p90 -60.86 143.01 55.68 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 0.769 . . . . 0.0 110.871 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.879 ' O ' ' HB3' ' A' ' 67' ' ' ALA . 9.4 m 48.87 138.63 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.612 1.195 . . . . 0.0 110.411 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.49 ' C ' ' HB2' ' A' ' 67' ' ' ALA . 18.2 Cg_endo -75.13 -8.07 19.61 Favored 'Trans proline' 0 C--N 1.361 1.226 0 O-C-N 124.55 1.816 . . . . 0.0 111.01 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.644 ' O ' HG22 ' A' ' 39' ' ' THR . . . -124.77 4.8 8.54 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.394 1.059 . . . . 0.0 111.027 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.76 HG23 ' N ' ' A' ' 40' ' ' ILE . 0.6 OUTLIER 92.82 -164.59 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.581 0.812 . . . . 0.0 110.3 -179.959 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 1.177 HG21 ' CD2' ' A' ' 92' ' ' TYR . 2.3 pt -133.83 -141.21 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 O-C-N 124.476 1.11 . . . . 0.0 109.179 -179.898 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' ASN . . . . . 0.54 ' C ' HD13 ' A' ' 42' ' ' ILE . 24.8 t-20 -113.85 159.63 19.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.543 1.152 . . . . 0.0 109.383 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.718 ' CG2' ' HB3' ' A' ' 58' ' ' ALA . 1.4 mm -117.0 127.86 74.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 O-C-N 124.531 1.144 . . . . 0.0 109.287 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.569 ' C ' ' CD1' ' A' ' 44' ' ' TRP . 2.0 m -154.42 158.68 40.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 110.397 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 1.067 ' CZ3' ' HB3' ' A' ' 88' ' ' CYS . 18.3 m95 -146.79 130.55 17.03 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.139 . . . . 0.0 108.025 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.434 HD22 ' HA ' ' A' ' 45' ' ' LEU . 0.2 OUTLIER -94.83 110.8 22.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.436 1.085 . . . . 0.0 109.279 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -98.97 148.76 23.66 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.465 1.103 . . . . 0.0 110.338 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.525 ' CB ' ' HB ' ' A' ' 85' ' ' THR . 0.4 OUTLIER . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.451 1.094 . . . . 0.0 109.308 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.441 ' HA ' ' O ' ' A' ' 74' ' ' THR . 1.6 m-20 . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 1.1 HD22 ' N ' ' A' ' 56' ' ' SER . 0.0 OUTLIER -136.17 161.62 35.23 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 0.0 109.259 179.973 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 56' ' ' SER . . . . . 1.1 ' N ' HD22 ' A' ' 55' ' ' LEU . 0.0 OUTLIER -130.01 134.04 47.15 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.442 1.089 . . . . 0.0 110.005 -179.975 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.443 ' O ' ' N ' ' A' ' 72' ' ' GLU . 0.3 OUTLIER -132.2 156.12 47.03 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.549 1.156 . . . . 0.0 110.5 179.942 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.722 ' HB2' ' CB ' ' A' ' 71' ' ' SER . . . -130.22 151.59 50.57 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.59 1.182 . . . . 0.0 109.403 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' SER . . . . . 0.515 ' N ' ' O ' ' A' ' 70' ' ' GLN . 0.2 OUTLIER -106.34 162.61 13.53 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.533 1.145 . . . . 0.0 109.967 -179.964 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 60' ' ' THR . . . . . 0.559 HG23 ' CB ' ' A' ' 39' ' ' THR . 2.3 m -107.13 141.69 38.0 Favored 'General case' 0 C--N 1.323 -0.573 0 O-C-N 124.571 1.17 . . . . 0.0 110.354 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' THR . . . . . 0.678 ' OG1' ' O ' ' A' ' 68' ' ' SER . 0.0 OUTLIER -145.0 156.42 43.94 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.482 1.113 . . . . 0.0 110.423 179.95 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 2.9 tt0 -99.08 129.32 45.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.122 . . . . 0.0 110.293 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.994 ' O ' HD12 ' A' ' 66' ' ' LEU . 0.1 OUTLIER -127.03 64.07 1.31 Allowed 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.469 1.106 . . . . 0.0 110.323 179.957 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 73.69 -107.07 2.14 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.419 1.075 . . . . 0.0 111.018 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -101.14 0.19 37.26 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.432 0.725 . . . . 0.0 110.303 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.994 HD12 ' O ' ' A' ' 63' ' ' GLU . 0.0 OUTLIER -112.95 178.77 4.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 109.295 179.982 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.879 ' HB3' ' O ' ' A' ' 36' ' ' THR . . . -128.72 120.22 26.06 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.507 1.129 . . . . 0.0 109.301 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' SER . . . . . 0.904 ' HA ' ' CB ' ' A' ' 33' ' ' SER . 43.7 t -106.23 121.08 43.47 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.374 1.046 . . . . 0.0 110.005 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.888 ' HB ' ' OH ' ' A' ' 35' ' ' TYR . 0.7 OUTLIER -122.34 121.98 37.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.567 1.167 . . . . 0.0 110.379 -179.95 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.648 ' O ' ' HA ' ' A' ' 58' ' ' ALA . 0.1 OUTLIER -95.87 125.66 40.58 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.448 1.092 . . . . 0.0 110.3 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.722 ' CB ' ' HB2' ' A' ' 58' ' ' ALA . 0.7 OUTLIER -108.29 144.59 35.58 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.477 1.111 . . . . 0.0 109.945 -179.95 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.746 ' HA ' ' HA ' ' A' ' 29' ' ' LEU . 44.2 tt0 -133.58 160.83 36.31 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.475 1.11 . . . . 0.0 110.324 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.909 ' HG ' HD11 ' A' ' 75' ' ' LEU . 18.2 tp -139.04 146.24 40.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.45 1.094 . . . . 0.0 109.357 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.723 ' H ' HD12 ' A' ' 73' ' ' LEU . 0.7 OUTLIER -139.87 118.42 12.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.449 1.093 . . . . 0.0 110.425 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 1.025 HD13 HG23 ' A' ' 26' ' ' ILE . 0.0 OUTLIER -140.58 162.49 35.24 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 109.364 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 76' ' ' SER . . . . . 0.512 ' HA ' HG22 ' A' ' 25' ' ' THR . 0.1 OUTLIER -89.12 137.92 31.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.11 . . . . 0.0 110.076 179.952 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 21.1 tp60 -56.35 -36.39 68.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.313 1.008 . . . . 0.0 110.236 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.56 -46.94 73.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.117 . . . . 0.0 109.347 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' HIS . . . . . 0.454 ' ND1' ' NH2' ' A' ' 84' ' ' ARG . 0.0 OUTLIER -60.75 -39.81 90.12 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.516 1.135 . . . . 0.0 109.537 -179.969 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 80' ' ' TRP . . . . . 0.869 ' CZ3' ' CZ ' ' A' ' 86' ' ' TYR . 19.4 t-105 -62.63 -34.4 76.96 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.31 -39.74 85.93 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.354 1.034 . . . . 0.0 109.389 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 82' ' ' SER . . . . . 0.499 ' O ' ' HB2' ' A' ' 83' ' ' ASP . 0.2 OUTLIER -77.31 6.9 5.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.431 1.082 . . . . 0.0 109.993 179.943 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 83' ' ' ASP . . . . . 0.499 ' HB2' ' O ' ' A' ' 82' ' ' SER . 49.3 m-20 65.73 152.83 0.06 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.404 1.065 . . . . 0.0 109.233 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.517 ' HG3' ' CE2' ' A' ' 86' ' ' TYR . 0.5 OUTLIER -179.64 -172.25 0.21 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.524 1.14 . . . . 0.0 110.146 -179.947 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 85' ' ' THR . . . . . 0.525 ' HB ' ' CB ' ' A' ' 47' ' ' ASP . 1.0 OUTLIER -136.06 113.64 10.92 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.437 1.086 . . . . 0.0 110.501 179.939 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 86' ' ' TYR . . . . . 0.869 ' CZ ' ' CZ3' ' A' ' 80' ' ' TRP . 0.0 OUTLIER -119.95 123.67 44.09 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.51 1.131 . . . . 0.0 111.052 179.986 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 87' ' ' THR . . . . . 1.37 ' HA ' ' CB ' ' A' ' 100' ' ' SER . 1.4 m -142.4 136.83 29.95 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.513 1.133 . . . . 0.0 110.413 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 88' ' ' CYS . . . . . 1.067 ' HB3' ' CZ3' ' A' ' 44' ' ' TRP . 1.4 p -96.38 101.4 13.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 108.279 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 89' ' ' GLN . . . . . 0.452 ' N ' ' O ' ' A' ' 43' ' ' THR . 55.3 tt0 -93.68 106.38 18.35 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.437 1.085 . . . . 0.0 110.258 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 1.047 HG21 HG11 ' A' ' 32' ' ' VAL . 0.4 OUTLIER -98.25 121.73 49.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 O-C-N 124.438 1.086 . . . . 0.0 109.294 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 91' ' ' THR . . . . . 1.038 ' O ' ' HB ' ' A' ' 40' ' ' ILE . 0.8 OUTLIER -98.24 166.29 11.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.587 1.18 . . . . 0.0 110.385 179.999 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 92' ' ' TYR . . . . . 1.177 ' CD2' HG21 ' A' ' 40' ' ' ILE . 3.8 m-85 -135.79 153.64 51.46 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.437 1.086 . . . . 0.0 111.078 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 3.3 pp0? -52.16 -20.46 2.58 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.478 1.111 . . . . 0.0 110.303 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -152.77 33.81 0.81 Allowed Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.469 1.106 . . . . 0.0 110.947 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 95' ' ' HIS . . . . . 0.53 ' CA ' ' HB2' ' A' ' 92' ' ' TYR . 6.4 t60 -166.97 175.13 7.84 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.457 0.739 . . . . 0.0 109.626 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 14.8 t -161.25 151.33 17.35 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.128 . . . . 0.0 110.443 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 97' ' ' PHE . . . . . 0.64 ' CD1' HG11 ' A' ' 9' ' ' VAL . 2.8 t80 -163.84 162.53 23.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.541 1.151 . . . . 0.0 110.986 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 98' ' ' GLU . . . . . 0.613 ' HG2' HG22 ' A' ' 87' ' ' THR . 32.3 tt0 -154.69 136.84 14.76 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.55 1.156 . . . . 0.0 110.356 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 99' ' ' ASP . . . . . 0.682 ' O ' ' SG ' ' A' ' 88' ' ' CYS . 22.8 m-20 -155.87 131.16 9.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.446 1.091 . . . . 0.0 109.27 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 100' ' ' SER . . . . . 1.37 ' CB ' ' HA ' ' A' ' 87' ' ' THR . 0.6 OUTLIER -172.38 -150.02 0.05 Allowed 'General case' 0 C--N 1.327 -0.39 0 O-C-N 124.426 1.079 . . . . 0.0 109.982 -179.964 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 101' ' ' THR . . . . . 0.665 HG23 ' CD1' ' A' ' 86' ' ' TYR . 5.2 t -133.69 172.99 12.0 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.117 . . . . 0.0 110.417 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.564 1.165 . . . . 0.0 109.229 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.615 ' O ' ' HA ' ' A' ' 32' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 110.351 -0.24 . . . . 0.0 110.351 . . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.922 HG23 ' HB ' ' A' ' 32' ' ' VAL . 1.0 OUTLIER -131.07 146.5 33.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.565 1.165 . . . . 0.0 109.36 179.907 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.605 ' N ' ' O ' ' A' ' 31' ' ' LEU . 18.9 mmtt -134.41 154.13 51.54 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 109.27 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.458 HG13 ' NE2' ' A' ' 13' ' ' GLN . 5.3 tp -116.35 119.18 61.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.422 1.077 . . . . 0.0 109.35 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 1.04 HD12 HD13 ' A' ' 31' ' ' LEU . 36.4 mt -120.99 136.7 54.92 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.538 1.149 . . . . 0.0 109.278 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' GLN . . . . . 0.458 ' NE2' HG13 ' A' ' 11' ' ' ILE . 0.0 OUTLIER -108.72 143.2 38.16 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.462 1.101 . . . . 0.0 110.356 179.933 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.448 ' HB3' ' CB ' ' A' ' 27' ' ' GLN . 13.5 t -136.21 79.23 1.76 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.51 1.131 . . . . 0.0 109.911 -179.92 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 15.2 t . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.444 1.09 . . . . 0.0 110.055 179.877 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.48 ' OG1' ' N ' ' A' ' 26' ' ' ILE . 3.1 t . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 110.369 -0.234 . . . . 0.0 110.369 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.892 HD12 ' CE3' ' A' ' 80' ' ' TRP . 0.2 OUTLIER -140.5 137.29 36.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.523 1.139 . . . . 0.0 109.347 179.925 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.76 ' HA ' ' O ' ' A' ' 73' ' ' LEU . 4.0 mt-30 -124.27 99.95 6.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.415 1.072 . . . . 0.0 110.344 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 1.003 HD12 ' HG ' ' A' ' 73' ' ' LEU . 1.8 mt -97.75 96.69 8.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.584 1.178 . . . . 0.0 109.28 -179.92 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.545 ' HA ' ' HA ' ' A' ' 72' ' ' GLU . 9.9 mp -89.36 120.31 30.59 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.578 1.174 . . . . 0.0 109.272 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.487 ' HB2' ' CH2' ' A' ' 44' ' ' TRP . 0.5 OUTLIER -91.23 132.01 36.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.125 . . . . 0.0 108.356 179.964 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 1.04 HD13 HD12 ' A' ' 12' ' ' LEU . 2.5 mp -104.14 102.42 12.16 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.587 1.18 . . . . 0.0 109.278 -179.917 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 1.072 HG22 ' CE2' ' A' ' 35' ' ' TYR . 3.2 p -130.01 121.83 52.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.538 1.149 . . . . 0.0 109.301 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.915 ' CB ' ' HA ' ' A' ' 68' ' ' SER . 10.9 p -157.97 -176.82 6.14 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.493 1.121 . . . . 0.0 110.03 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.591 ' HA2' ' HB3' ' A' ' 66' ' ' LEU . . . 79.0 -44.5 2.61 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.41 1.069 . . . . 0.0 110.952 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 1.072 ' CE2' HG22 ' A' ' 32' ' ' VAL . 5.2 p90 -64.56 153.72 38.31 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.434 0.726 . . . . 0.0 110.874 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.898 ' O ' ' HB3' ' A' ' 67' ' ' ALA . 3.0 m 48.8 142.19 0.01 OUTLIER Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.466 1.104 . . . . 0.0 110.378 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.56 ' C ' ' HB2' ' A' ' 67' ' ' ALA . 18.4 Cg_endo -74.99 -11.02 21.47 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.444 1.76 . . . . 0.0 110.975 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.537 ' O ' ' CB ' ' A' ' 39' ' ' THR . . . -125.2 -54.12 0.17 Allowed Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.568 1.167 . . . . 0.0 110.967 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.717 ' O ' HG21 ' A' ' 36' ' ' THR . 0.9 OUTLIER 164.11 174.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 0.762 . . . . 0.0 110.468 -179.946 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.968 ' HB ' ' O ' ' A' ' 91' ' ' THR . 1.4 pt -120.35 -138.65 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.412 1.07 . . . . 0.0 109.272 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' ASN . . . . . 0.885 ' C ' HD13 ' A' ' 42' ' ' ILE . 11.5 t-20 -120.42 160.04 23.89 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.496 1.122 . . . . 0.0 109.295 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.885 HD13 ' C ' ' A' ' 41' ' ' ASN . 0.3 OUTLIER -117.62 129.67 73.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.622 1.202 . . . . 0.0 109.337 179.914 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.569 ' C ' ' CD1' ' A' ' 44' ' ' TRP . 1.9 m -155.16 154.26 32.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.553 1.158 . . . . 0.0 110.316 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 1.008 ' CZ3' ' HB3' ' A' ' 88' ' ' CYS . 12.7 m95 -144.27 129.69 18.92 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 107.948 -1.13 . . . . 0.0 107.948 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -97.34 113.11 24.7 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.563 1.165 . . . . 0.0 109.394 179.901 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.428 ' HG2' ' N ' ' A' ' 47' ' ' ASP . 23.1 tt0 -101.71 142.11 33.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 110.293 -179.917 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.553 ' CB ' ' HB ' ' A' ' 85' ' ' THR . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.557 1.161 . . . . 0.0 109.3 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.481 ' HB2' ' HB2' ' A' ' 75' ' ' LEU . 7.3 t70 . . . . . 0 N--CA 1.452 -0.343 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 1.121 HD22 ' N ' ' A' ' 56' ' ' SER . 0.0 OUTLIER -133.72 148.02 51.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 109.244 179.965 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 56' ' ' SER . . . . . 1.121 ' N ' HD22 ' A' ' 55' ' ' LEU . 31.2 t -131.11 150.86 51.96 Favored 'General case' 0 N--CA 1.451 -0.397 0 O-C-N 124.343 1.027 . . . . 0.0 110.027 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.436 ' O ' ' N ' ' A' ' 72' ' ' GLU . 0.1 OUTLIER -138.81 152.87 48.24 Favored 'General case' 0 C--N 1.327 -0.383 0 O-C-N 124.539 1.149 . . . . 0.0 110.332 179.971 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 1.011 ' HB2' ' CB ' ' A' ' 71' ' ' SER . . . -133.02 152.66 51.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.571 1.169 . . . . 0.0 109.258 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' SER . . . . . 0.559 ' O ' ' HA ' ' A' ' 69' ' ' THR . 3.4 m -109.47 174.3 5.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.433 1.083 . . . . 0.0 109.956 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' THR . . . . . 0.462 ' HB ' HG21 ' A' ' 39' ' ' THR . 1.9 t -105.55 146.95 28.93 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.554 1.159 . . . . 0.0 110.341 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' THR . . . . . 0.483 ' OG1' ' C ' ' A' ' 68' ' ' SER . 0.8 OUTLIER -138.82 163.63 31.72 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.485 1.115 . . . . 0.0 110.336 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -108.98 126.32 52.98 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.555 1.16 . . . . 0.0 110.296 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -127.07 61.54 1.35 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.445 1.091 . . . . 0.0 110.308 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 70.74 -104.8 1.46 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.522 1.139 . . . . 0.0 111.02 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 34.3 tp10 -96.67 -1.65 46.23 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.467 0.746 . . . . 0.0 110.34 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.591 ' HB3' ' HA2' ' A' ' 34' ' ' GLY . 45.7 mt -112.45 -179.23 3.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.113 . . . . 0.0 109.325 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.898 ' HB3' ' O ' ' A' ' 36' ' ' THR . . . -135.4 122.08 20.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.573 1.171 . . . . 0.0 109.216 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' SER . . . . . 0.915 ' HA ' ' CB ' ' A' ' 33' ' ' SER . 10.1 t -92.99 179.04 5.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.434 1.084 . . . . 0.0 110.064 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.749 HG22 HG12 ' A' ' 32' ' ' VAL . 1.0 OUTLIER -169.9 132.25 1.11 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.109 . . . . 0.0 110.357 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.809 ' O ' ' HA ' ' A' ' 58' ' ' ALA . 1.7 tp60 -112.63 121.31 44.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.579 1.174 . . . . 0.0 110.271 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' SER . . . . . 1.011 ' CB ' ' HB2' ' A' ' 58' ' ' ALA . 0.7 OUTLIER -110.69 146.13 36.78 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.505 1.128 . . . . 0.0 110.009 179.964 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.545 ' HA ' ' HA ' ' A' ' 29' ' ' LEU . 0.0 OUTLIER -135.93 133.35 37.53 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.608 1.193 . . . . 0.0 110.34 -179.966 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 1.111 HD13 ' N ' ' A' ' 74' ' ' THR . 0.7 OUTLIER -109.71 144.48 38.03 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.414 1.071 . . . . 0.0 109.304 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 74' ' ' THR . . . . . 1.111 ' N ' HD13 ' A' ' 73' ' ' LEU . 1.0 OUTLIER -143.66 123.82 13.71 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 110.407 179.959 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.742 ' HG ' HG22 ' A' ' 26' ' ' ILE . 0.2 OUTLIER -156.08 163.19 39.96 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.454 1.096 . . . . 0.0 109.387 179.956 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 76' ' ' SER . . . . . 0.51 ' O ' HD12 ' A' ' 75' ' ' LEU . 1.1 t -77.41 134.35 38.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.112 . . . . 0.0 110.067 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.83 -33.07 73.49 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.537 1.148 . . . . 0.0 110.323 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 18.9 tttt -53.14 -53.78 45.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.125 . . . . 0.0 109.349 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' HIS . . . . . 0.436 ' HB3' ' NE ' ' A' ' 84' ' ' ARG . 14.3 m-70 -53.35 -41.42 65.78 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.547 1.154 . . . . 0.0 109.633 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 80' ' ' TRP . . . . . 0.892 ' CE3' HD12 ' A' ' 26' ' ' ILE . 7.5 t-105 -59.38 -38.19 79.84 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.56 1.163 . . . . 0.0 107.974 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -57.35 -40.72 78.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.445 1.091 . . . . 0.0 109.3 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 82' ' ' SER . . . . . 0.494 ' O ' ' HB3' ' A' ' 83' ' ' ASP . 0.7 OUTLIER -77.41 6.74 6.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.443 1.089 . . . . 0.0 110.029 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 83' ' ' ASP . . . . . 0.494 ' HB3' ' O ' ' A' ' 82' ' ' SER . 0.0 OUTLIER 68.42 148.67 0.06 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.46 1.1 . . . . 0.0 109.278 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.436 ' NE ' ' HB3' ' A' ' 79' ' ' HIS . 0.0 OUTLIER -168.63 -175.8 2.57 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.589 1.181 . . . . 0.0 110.28 179.881 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 85' ' ' THR . . . . . 0.553 ' HB ' ' CB ' ' A' ' 47' ' ' ASP . 1.0 OUTLIER -131.65 99.65 4.86 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.512 1.132 . . . . 0.0 110.337 -179.899 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 86' ' ' TYR . . . . . 0.806 ' CZ ' ' CE3' ' A' ' 80' ' ' TRP . 0.0 OUTLIER -109.49 121.46 45.25 Favored 'General case' 0 C--N 1.327 -0.402 0 O-C-N 124.504 1.128 . . . . 0.0 110.985 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 87' ' ' THR . . . . . 1.405 ' HA ' ' CB ' ' A' ' 100' ' ' SER . 0.6 OUTLIER -139.42 132.29 29.25 Favored 'General case' 0 C--N 1.323 -0.567 0 O-C-N 124.502 1.127 . . . . 0.0 110.402 179.963 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 88' ' ' CYS . . . . . 1.008 ' HB3' ' CZ3' ' A' ' 44' ' ' TRP . 30.1 p -89.63 96.19 10.59 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.551 1.157 . . . . 0.0 108.31 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 89' ' ' GLN . . . . . 0.485 ' N ' ' O ' ' A' ' 43' ' ' THR . 1.7 tt0 -88.47 102.16 14.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.485 1.116 . . . . 0.0 110.363 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.854 HG12 ' CE1' ' A' ' 92' ' ' TYR . 31.2 t -93.86 132.35 38.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.418 1.074 . . . . 0.0 109.302 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 91' ' ' THR . . . . . 0.968 ' O ' ' HB ' ' A' ' 40' ' ' ILE . 0.3 OUTLIER -101.53 163.55 12.21 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.487 1.117 . . . . 0.0 110.331 -179.935 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 92' ' ' TYR . . . . . 0.854 ' CE1' HG12 ' A' ' 90' ' ' VAL . 3.6 m-85 -144.7 146.83 32.41 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.608 1.193 . . . . 0.0 110.932 -179.916 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -64.68 -6.36 7.68 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.506 1.129 . . . . 0.0 110.325 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -114.56 -20.9 5.65 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.415 1.072 . . . . 0.0 111.075 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 95' ' ' HIS . . . . . 0.451 ' O ' ' HB2' ' A' ' 92' ' ' TYR . 1.8 t-80 -175.15 -158.1 0.07 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.424 0.72 . . . . 0.0 109.553 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 13.4 t -150.14 164.77 34.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 110.369 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 97' ' ' PHE . . . . . 0.616 ' CD1' HG11 ' A' ' 9' ' ' VAL . 46.5 t80 -168.14 164.99 13.44 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.498 1.124 . . . . 0.0 110.964 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 98' ' ' GLU . . . . . 0.682 ' HG2' HG22 ' A' ' 87' ' ' THR . 28.2 tt0 -156.35 146.47 21.31 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.553 1.158 . . . . 0.0 110.371 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 99' ' ' ASP . . . . . 0.561 ' O ' ' SG ' ' A' ' 88' ' ' CYS . 5.8 m-20 -160.01 129.93 5.37 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.618 1.199 . . . . 0.0 109.296 -179.904 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 100' ' ' SER . . . . . 1.405 ' CB ' ' HA ' ' A' ' 87' ' ' THR . 2.4 t -170.65 -149.21 0.06 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.477 1.111 . . . . 0.0 110.021 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 101' ' ' THR . . . . . 0.661 HG23 ' CD1' ' A' ' 86' ' ' TYR . 5.0 t -133.25 -177.87 4.72 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.531 1.145 . . . . 0.0 110.385 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 102' ' ' LYS . . . . . 0.456 ' HA ' ' HA ' ' A' ' 85' ' ' THR . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.566 1.167 . . . . 0.0 109.269 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.525 ' O ' ' HA ' ' A' ' 32' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 110.405 -0.22 . . . . 0.0 110.405 . . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.9 HG11 ' CD2' ' A' ' 97' ' ' PHE . 2.4 p -132.35 140.6 47.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.537 1.148 . . . . 0.0 109.448 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.704 ' CB ' HD12 ' A' ' 31' ' ' LEU . 5.1 mmtt -138.45 156.68 47.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.294 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.54 ' CD1' ' SG ' ' A' ' 30' ' ' CYS . 0.4 OUTLIER -129.19 111.43 22.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.632 1.207 . . . . 0.0 109.275 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.937 HD12 HD21 ' A' ' 31' ' ' LEU . 83.1 mt -112.35 132.2 55.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.447 1.092 . . . . 0.0 109.261 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' GLN . . . . . 0.622 ' HB3' HD23 ' A' ' 28' ' ' LEU . 0.0 OUTLIER -105.31 142.36 35.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.568 1.168 . . . . 0.0 110.301 179.964 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.496 ' HB3' ' CB ' ' A' ' 27' ' ' GLN . 0.3 OUTLIER -132.03 71.36 1.47 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.114 . . . . 0.0 110.014 -179.964 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 3.2 t . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.448 1.092 . . . . 0.0 109.912 -179.89 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.936 HG22 ' HA ' ' A' ' 76' ' ' SER . 2.2 p . . . . . 0 N--CA 1.452 -0.335 0 CA-C-O 120.527 0.203 . . . . 0.0 110.473 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.979 HG21 HD23 ' A' ' 75' ' ' LEU . 1.2 tt -134.25 137.75 51.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.445 1.091 . . . . 0.0 109.304 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.514 ' HA ' ' O ' ' A' ' 73' ' ' LEU . 9.0 mt-30 -120.73 86.8 2.64 Favored 'General case' 0 C--N 1.323 -0.578 0 O-C-N 124.554 1.159 . . . . 0.0 110.332 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 1.0 HD12 HD22 ' A' ' 73' ' ' LEU . 0.3 OUTLIER -101.86 108.68 20.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.101 . . . . 0.0 109.325 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.715 ' HA ' ' HA ' ' A' ' 72' ' ' GLU . 0.5 OUTLIER -114.13 126.75 55.43 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 0.0 109.363 179.97 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.6 ' SG ' ' CH2' ' A' ' 44' ' ' TRP . 13.2 m -92.55 152.16 19.77 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.534 1.146 . . . . 0.0 108.419 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.937 HD21 HD12 ' A' ' 12' ' ' LEU . 0.0 OUTLIER -116.08 102.35 9.55 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.445 1.091 . . . . 0.0 109.325 -179.97 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 1.105 HG22 ' CE2' ' A' ' 35' ' ' TYR . 2.0 p -129.49 116.62 39.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 109.273 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.876 ' CB ' ' HA ' ' A' ' 68' ' ' SER . 6.8 p -155.79 -179.45 8.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.553 1.158 . . . . 0.0 109.921 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.642 ' CA ' HD23 ' A' ' 66' ' ' LEU . . . 80.91 -45.51 3.18 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.536 1.147 . . . . 0.0 110.928 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 1.105 ' CE2' HG22 ' A' ' 32' ' ' VAL . 2.6 p90 -61.85 152.13 32.52 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 0.779 . . . . 0.0 111.008 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.906 ' O ' ' HB3' ' A' ' 67' ' ' ALA . 1.9 m 48.98 140.39 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.585 1.178 . . . . 0.0 110.3 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.495 ' HD2' HG22 ' A' ' 36' ' ' THR . 18.3 Cg_endo -75.01 -14.07 21.22 Favored 'Trans proline' 0 C--N 1.362 1.24 0 O-C-N 124.396 1.735 . . . . 0.0 110.977 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.662 ' O ' HG22 ' A' ' 39' ' ' THR . . . -127.16 6.88 7.21 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.503 1.127 . . . . 0.0 111.053 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.714 ' O ' HG21 ' A' ' 36' ' ' THR . 0.7 OUTLIER 94.32 -169.95 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.499 0.764 . . . . 0.0 110.39 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.929 ' HB ' ' O ' ' A' ' 91' ' ' THR . 0.8 OUTLIER -131.51 -139.88 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 O-C-N 124.548 1.155 . . . . 0.0 109.311 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 41' ' ' ASN . . . . . 0.465 ' CB ' ' HB ' ' A' ' 91' ' ' THR . 0.3 OUTLIER -116.81 156.67 26.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.55 1.156 . . . . 0.0 109.216 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.976 HG21 ' HB3' ' A' ' 58' ' ' ALA . 4.2 mt -119.41 125.9 74.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.463 1.102 . . . . 0.0 109.354 179.854 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.567 ' C ' ' CD1' ' A' ' 44' ' ' TRP . 4.3 m -149.13 162.51 39.82 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.552 1.157 . . . . 0.0 110.426 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 1.013 ' CZ3' ' HB3' ' A' ' 88' ' ' CYS . 20.3 m95 -147.81 131.25 16.67 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.548 1.155 . . . . 0.0 107.983 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.413 ' N ' ' O ' ' A' ' 87' ' ' THR . 13.4 tp -99.5 107.93 20.24 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.526 1.141 . . . . 0.0 109.379 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.514 ' CD ' ' CZ ' ' A' ' 84' ' ' ARG . 0.1 OUTLIER -98.99 151.87 20.44 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 110.306 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.513 ' HB2' ' CG2' ' A' ' 85' ' ' THR . 0.4 OUTLIER . . . . . 0 C--N 1.327 -0.408 0 O-C-N 124.535 1.147 . . . . 0.0 109.283 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.471 ' CB ' ' HB2' ' A' ' 75' ' ' LEU . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.292 -0.632 . . . . 0.0 109.292 . . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 1.088 HD22 ' N ' ' A' ' 56' ' ' SER . 0.0 OUTLIER -138.64 161.07 38.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.217 -179.958 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 56' ' ' SER . . . . . 1.088 ' N ' HD22 ' A' ' 55' ' ' LEU . 0.7 OUTLIER -127.29 131.86 50.41 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.413 1.071 . . . . 0.0 109.97 -179.979 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -131.41 159.9 36.66 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.496 1.123 . . . . 0.0 110.404 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.976 ' HB3' HG21 ' A' ' 42' ' ' ILE . . . -132.51 154.77 49.61 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.392 1.057 . . . . 0.0 109.295 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' SER . . . . . 0.546 ' O ' ' HA ' ' A' ' 69' ' ' THR . 2.2 t -107.14 169.55 8.49 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.471 1.107 . . . . 0.0 109.975 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' THR . . . . . 0.631 ' CG2' HG21 ' A' ' 39' ' ' THR . 2.8 m -107.76 146.48 32.11 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.515 1.134 . . . . 0.0 110.479 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' THR . . . . . 0.535 ' OG1' ' CB ' ' A' ' 68' ' ' SER . 0.6 OUTLIER -137.32 157.75 45.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 110.399 -179.954 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 13.1 pt20 -118.17 134.27 55.16 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 110.288 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 -139.6 63.45 1.49 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.452 1.095 . . . . 0.0 110.202 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 71.79 -106.68 1.97 Allowed Glycine 0 CA--C 1.528 0.862 0 O-C-N 124.576 1.173 . . . . 0.0 111.094 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 9.7 tt0 -96.07 -1.86 47.87 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.416 0.715 . . . . 0.0 110.337 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.642 HD23 ' CA ' ' A' ' 34' ' ' GLY . 2.9 mp -105.18 166.34 10.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.105 . . . . 0.0 109.331 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.906 ' HB3' ' O ' ' A' ' 36' ' ' THR . . . -133.43 119.09 19.18 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.515 1.134 . . . . 0.0 109.243 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' SER . . . . . 0.876 ' HA ' ' CB ' ' A' ' 33' ' ' SER . 10.3 t -96.37 175.11 6.55 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.418 1.074 . . . . 0.0 109.979 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.742 ' HB ' ' OH ' ' A' ' 35' ' ' TYR . 1.2 m -171.38 119.54 0.48 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.491 1.12 . . . . 0.0 110.361 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.662 ' O ' ' HA ' ' A' ' 58' ' ' ALA . 4.9 tt0 -96.73 120.44 37.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.434 1.084 . . . . 0.0 110.291 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.738 ' HA ' ' CB ' ' A' ' 58' ' ' ALA . 0.3 OUTLIER -104.72 140.0 38.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.605 1.191 . . . . 0.0 109.956 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.715 ' HA ' ' HA ' ' A' ' 29' ' ' LEU . 19.1 tt0 -134.38 160.66 37.28 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 110.325 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 1.0 HD22 HD12 ' A' ' 28' ' ' LEU . 10.5 tt -141.18 139.79 33.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.542 1.151 . . . . 0.0 109.342 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.461 ' O ' ' HA ' ' A' ' 54' ' ' ASP . 0.0 OUTLIER -139.37 114.52 9.61 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 110.34 -179.946 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.979 HD23 HG21 ' A' ' 26' ' ' ILE . 0.1 OUTLIER -141.83 159.17 42.78 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.405 1.066 . . . . 0.0 109.321 179.964 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 76' ' ' SER . . . . . 0.936 ' HA ' HG22 ' A' ' 25' ' ' THR . 67.4 m -84.69 138.71 32.5 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.12 . . . . 0.0 110.03 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 13.9 tm0? -57.28 -28.21 62.81 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.461 1.101 . . . . 0.0 110.303 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 14.5 tptp -53.12 -58.68 6.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.639 1.212 . . . . 0.0 109.29 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 32.5 m80 -55.82 -41.18 73.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.39 1.056 . . . . 0.0 109.653 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' TRP . . . . . 0.919 ' CZ3' ' CZ ' ' A' ' 86' ' ' TYR . 18.0 t-105 -57.28 -40.6 78.09 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.459 ' C ' ' H ' ' A' ' 83' ' ' ASP . 0.3 OUTLIER -70.15 -40.3 74.83 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.61 1.194 . . . . 0.0 109.291 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -79.78 23.01 0.45 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.904 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 83' ' ' ASP . . . . . 0.459 ' H ' ' C ' ' A' ' 81' ' ' LEU . 0.0 OUTLIER 63.22 148.07 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.557 1.161 . . . . 0.0 109.255 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.514 ' CZ ' ' CD ' ' A' ' 46' ' ' GLU . 0.1 OUTLIER -177.33 174.9 1.54 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.457 1.098 . . . . 0.0 110.303 179.967 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 85' ' ' THR . . . . . 0.513 ' CG2' ' HB2' ' A' ' 47' ' ' ASP . 0.9 OUTLIER -135.12 118.89 17.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 110.432 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 86' ' ' TYR . . . . . 0.919 ' CZ ' ' CZ3' ' A' ' 80' ' ' TRP . 0.0 OUTLIER -121.1 122.43 40.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.422 1.076 . . . . 0.0 110.912 -179.91 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 87' ' ' THR . . . . . 1.41 ' HA ' ' CB ' ' A' ' 100' ' ' SER . 1.1 m -145.15 128.91 17.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.438 1.086 . . . . 0.0 110.384 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 88' ' ' CYS . . . . . 1.013 ' HB3' ' CZ3' ' A' ' 44' ' ' TRP . 13.7 p -94.86 101.4 13.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 108.277 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 89' ' ' GLN . . . . . 0.452 ' N ' ' O ' ' A' ' 43' ' ' THR . 49.5 tt0 -87.98 104.44 16.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 110.32 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 1.068 HG12 ' CE1' ' A' ' 92' ' ' TYR . 4.0 t -93.4 125.65 45.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.462 1.101 . . . . 0.0 109.293 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 91' ' ' THR . . . . . 0.929 ' O ' ' HB ' ' A' ' 40' ' ' ILE . 1.0 OUTLIER -96.03 165.4 12.27 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.58 1.175 . . . . 0.0 110.366 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 92' ' ' TYR . . . . . 1.068 ' CE1' HG12 ' A' ' 90' ' ' VAL . 25.0 m-85 -145.8 140.65 27.26 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.482 1.114 . . . . 0.0 110.946 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 93' ' ' GLN . . . . . 0.654 ' HG2' HG23 ' A' ' 36' ' ' THR . 10.4 pt20 -56.42 -11.58 1.31 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.425 1.078 . . . . 0.0 110.261 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 94' ' ' GLY . . . . . 0.406 ' N ' ' C ' ' A' ' 92' ' ' TYR . . . -109.37 -28.37 4.37 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.502 1.126 . . . . 0.0 111.105 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 95' ' ' HIS . . . . . 0.504 ' O ' ' N ' ' A' ' 92' ' ' TYR . 1.1 t-160 -167.83 -151.5 0.11 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 0.766 . . . . 0.0 109.625 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 6.0 t -155.06 161.54 41.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.549 1.155 . . . . 0.0 110.38 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 97' ' ' PHE . . . . . 0.9 ' CD2' HG11 ' A' ' 9' ' ' VAL . 73.1 t80 -155.99 168.5 27.06 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.579 1.175 . . . . 0.0 110.925 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 98' ' ' GLU . . . . . 0.812 ' HG2' HG22 ' A' ' 87' ' ' THR . 25.2 tt0 -144.81 142.98 30.4 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.513 1.133 . . . . 0.0 110.346 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 99' ' ' ASP . . . . . 0.561 ' O ' ' SG ' ' A' ' 88' ' ' CYS . 0.1 OUTLIER -155.99 119.89 4.45 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.548 1.155 . . . . 0.0 109.334 179.882 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 100' ' ' SER . . . . . 1.41 ' CB ' ' HA ' ' A' ' 87' ' ' THR . 0.8 OUTLIER -170.74 -151.36 0.08 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 0.0 110.011 -179.938 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 101' ' ' THR . . . . . 0.741 HG23 ' CD1' ' A' ' 86' ' ' TYR . 4.4 t -142.64 -179.7 6.47 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.48 1.113 . . . . 0.0 110.42 -179.892 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 102' ' ' LYS . . . . . 0.432 ' N ' ' OG1' ' A' ' 101' ' ' THR . 5.0 pttp . . . . . 0 C--N 1.324 -0.515 0 O-C-N 124.527 1.142 . . . . 0.0 109.299 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 109.987 -0.375 . . . . 0.0 109.987 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 1.7 ptt180 -167.15 79.13 0.2 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.149 . . . . 0.0 110.253 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -80.02 168.67 18.88 Favored 'General case' 0 N--CA 1.451 -0.401 0 O-C-N 124.499 1.124 . . . . 0.0 109.36 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 58.36 -176.84 0.08 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.641 1.213 . . . . 0.0 111.096 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.57 HG21 ' O ' ' A' ' 34' ' ' GLY . 0.5 OUTLIER -142.77 168.42 13.32 Favored Pre-proline 0 C--N 1.323 -0.547 0 O-C-N 124.592 1.183 . . . . 0.0 110.32 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.521 ' HD2' HG23 ' A' ' 5' ' ' THR . 19.0 Cg_endo -74.82 118.27 5.23 Favored 'Trans proline' 0 C--N 1.359 1.093 0 O-C-N 124.538 1.809 . . . . 0.0 111.007 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.66 ' HA ' ' HB3' ' A' ' 35' ' ' TYR . 18.5 Cg_endo -75.04 151.91 39.9 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.424 1.75 . . . . 0.0 110.971 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.551 ' O ' ' HA ' ' A' ' 32' ' ' VAL . 0.0 OUTLIER -148.51 130.8 15.58 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.488 1.117 . . . . 0.0 110.343 -179.954 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.717 HG23 ' HB ' ' A' ' 32' ' ' VAL . 2.5 p -129.22 145.81 35.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.544 1.153 . . . . 0.0 109.341 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.55 ' HB2' ' CD1' ' A' ' 31' ' ' LEU . 0.0 OUTLIER -134.23 166.83 21.88 Favored 'General case' 0 C--N 1.323 -0.565 0 O-C-N 124.568 1.168 . . . . 0.0 109.323 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.582 HD12 ' OE1' ' A' ' 13' ' ' GLN . 0.0 OUTLIER -130.12 120.59 49.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 109.39 -179.928 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.693 ' HB2' HD12 ' A' ' 29' ' ' LEU . 22.3 mt -123.16 129.31 51.25 Favored 'General case' 0 C--N 1.323 -0.583 0 O-C-N 124.584 1.178 . . . . 0.0 109.3 -179.899 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.592 ' HB3' HD23 ' A' ' 28' ' ' LEU . 0.0 OUTLIER -106.94 140.52 39.62 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.554 1.159 . . . . 0.0 110.299 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.459 ' HB3' ' CB ' ' A' ' 27' ' ' GLN . 0.1 OUTLIER -134.23 75.43 1.59 Allowed 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.41 1.069 . . . . 0.0 110.073 179.919 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 23.5 p -112.01 -40.92 4.1 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.543 1.152 . . . . 0.0 109.935 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -86.22 50.74 2.04 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.496 1.123 . . . . 0.0 110.0 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -140.51 13.02 2.34 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.581 1.175 . . . . 0.0 109.21 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -80.98 -175.33 49.8 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.399 1.062 . . . . 0.0 111.071 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -157.7 170.0 34.62 Favored Glycine 0 CA--C 1.53 1.01 0 N-CA-C 111.032 -0.827 . . . . 0.0 111.032 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -44.35 155.56 0.28 Allowed Glycine 0 CA--C 1.528 0.905 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' HIS . . . . . 0.442 ' O ' ' O ' ' A' ' 22' ' ' PHE . 26.3 m170 64.53 178.99 0.18 Allowed 'General case' 0 C--N 1.327 -0.398 0 O-C-N 124.411 0.712 . . . . 0.0 109.607 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.442 ' O ' ' O ' ' A' ' 21' ' ' HIS . 5.3 m-85 57.68 148.58 0.06 OUTLIER Pre-proline 0 C--N 1.324 -0.526 0 O-C-N 124.51 1.131 . . . . 0.0 110.934 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.429 ' HA ' ' HD3' ' A' ' 24' ' ' PRO . 18.2 Cg_endo -75.07 145.54 31.31 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.595 1.84 . . . . 0.0 110.972 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.51 ' HB2' ' CB ' ' A' ' 77' ' ' GLN . 18.2 Cg_endo -75.05 141.8 26.92 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.553 1.817 . . . . 0.0 111.027 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.404 ' HA ' ' N ' ' A' ' 77' ' ' GLN . 53.0 p -145.04 -167.45 2.68 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.516 1.135 . . . . 0.0 110.431 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.905 HD12 ' CE3' ' A' ' 80' ' ' TRP . 0.1 OUTLIER -134.0 131.75 55.96 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 O-C-N 124.674 1.234 . . . . 0.0 109.357 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.595 ' HA ' ' O ' ' A' ' 73' ' ' LEU . 0.7 OUTLIER -117.86 81.58 1.69 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.621 1.2 . . . . 0.0 110.276 -179.931 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.903 HD11 HD13 ' A' ' 26' ' ' ILE . 1.6 mt -96.39 103.42 15.32 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.58 1.175 . . . . 0.0 109.272 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.713 ' HA ' ' HA ' ' A' ' 72' ' ' GLU . 2.0 pp -111.73 125.83 54.4 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.496 1.123 . . . . 0.0 109.323 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.501 ' HB2' ' HB2' ' A' ' 71' ' ' SER . 33.0 m -92.29 155.55 17.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.61 1.193 . . . . 0.0 108.192 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.829 HD22 ' C ' ' A' ' 31' ' ' LEU . 0.0 OUTLIER -115.98 103.87 11.02 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.567 1.167 . . . . 0.0 109.375 179.954 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 1.116 HG22 ' CE2' ' A' ' 35' ' ' TYR . 1.6 p -127.55 116.87 45.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.599 1.187 . . . . 0.0 109.347 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.853 ' CB ' ' HA ' ' A' ' 68' ' ' SER . 56.4 p -151.86 -179.05 7.12 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.442 1.089 . . . . 0.0 110.112 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.57 ' O ' HG21 ' A' ' 5' ' ' THR . . . 83.3 -49.88 4.31 Favored Glycine 0 CA--C 1.532 1.125 0 O-C-N 124.505 1.128 . . . . 0.0 110.951 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 1.116 ' CE2' HG22 ' A' ' 32' ' ' VAL . 4.7 p90 -62.24 153.05 31.71 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.563 0.802 . . . . 0.0 110.998 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.673 HG21 ' O ' ' A' ' 39' ' ' THR . 2.9 m 50.18 144.93 0.02 OUTLIER Pre-proline 0 C--N 1.324 -0.531 0 O-C-N 124.667 1.229 . . . . 0.0 110.446 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.658 ' HD2' HG22 ' A' ' 36' ' ' THR . 18.1 Cg_endo -75.02 -16.89 19.91 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.64 1.863 . . . . 0.0 111.004 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.604 ' O ' ' CB ' ' A' ' 39' ' ' THR . . . -121.22 -49.53 0.27 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.503 1.127 . . . . 0.0 110.994 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.697 ' OG1' HG23 ' A' ' 60' ' ' THR . 1.0 OUTLIER 159.2 171.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.456 0.739 . . . . 0.0 110.334 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.91 ' HB ' ' O ' ' A' ' 91' ' ' THR . 1.0 OUTLIER -111.75 -139.38 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.589 1.181 . . . . 0.0 109.272 -179.902 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ASN . . . . . 0.572 ' O ' HD13 ' A' ' 42' ' ' ILE . 0.2 OUTLIER -111.15 155.22 23.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.623 1.202 . . . . 0.0 109.356 179.895 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.827 HG21 ' CB ' ' A' ' 58' ' ' ALA . 3.6 mm -122.17 121.57 64.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 109.306 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.481 ' C ' ' CD1' ' A' ' 44' ' ' TRP . 2.4 m -155.56 157.53 36.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.44 1.087 . . . . 0.0 110.509 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 1.039 ' CZ3' ' HB3' ' A' ' 88' ' ' CYS . 13.8 m95 -140.13 128.08 22.1 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 108.056 -1.091 . . . . 0.0 108.056 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -86.5 110.27 19.65 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.502 1.126 . . . . 0.0 109.277 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -99.38 140.32 33.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.441 1.088 . . . . 0.0 110.362 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.507 ' CB ' ' HB ' ' A' ' 85' ' ' THR . 0.3 OUTLIER -139.71 96.0 3.0 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.533 1.146 . . . . 0.0 109.318 179.972 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.456 ' O ' ' HB2' ' A' ' 49' ' ' GLN . . . 167.57 -56.15 0.23 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.6 1.188 . . . . 0.0 110.925 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.498 ' CB ' ' NH2' ' A' ' 84' ' ' ARG . 0.0 OUTLIER 167.61 86.52 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 0.758 . . . . 0.0 110.348 -179.878 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.622 ' O ' HG13 ' A' ' 50' ' ' VAL . 4.3 p -85.23 43.68 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.438 1.086 . . . . 0.0 109.359 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' MET . . . . . 0.456 ' CG ' ' N ' ' A' ' 52' ' ' ASP . 4.6 ptt? -86.24 -38.38 17.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 110.924 -179.874 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.456 ' N ' ' CG ' ' A' ' 51' ' ' MET . 0.8 OUTLIER -64.11 -151.13 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.107 . . . . 0.0 109.431 179.944 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.841 ' O ' HG12 ' A' ' 53' ' ' VAL . 20.3 t -111.17 32.75 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.434 1.084 . . . . 0.0 109.346 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.465 ' CB ' ' HB2' ' A' ' 75' ' ' LEU . 1.2 p-10 -91.42 99.79 12.68 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.583 1.177 . . . . 0.0 109.23 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 1.126 HD22 ' N ' ' A' ' 56' ' ' SER . 0.0 OUTLIER -137.48 159.36 42.16 Favored 'General case' 0 C--N 1.327 -0.397 0 O-C-N 124.429 1.081 . . . . 0.0 109.258 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 56' ' ' SER . . . . . 1.126 ' N ' HD22 ' A' ' 55' ' ' LEU . 0.0 OUTLIER -123.32 130.63 52.99 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.446 1.091 . . . . 0.0 110.056 -179.963 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.464 ' O ' ' N ' ' A' ' 72' ' ' GLU . 0.2 OUTLIER -130.64 157.69 42.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.115 . . . . 0.0 110.371 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.827 ' CB ' HG21 ' A' ' 42' ' ' ILE . . . -128.9 153.15 47.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.396 1.06 . . . . 0.0 109.369 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' SER . . . . . 0.573 ' N ' ' O ' ' A' ' 70' ' ' GLN . 0.0 OUTLIER -105.11 164.62 11.68 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 0.0 109.923 -179.943 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.697 HG23 ' OG1' ' A' ' 39' ' ' THR . 2.4 m -107.63 141.48 39.05 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 110.382 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.824 ' OG1' ' O ' ' A' ' 68' ' ' SER . 0.0 OUTLIER -144.1 160.36 41.05 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.556 1.16 . . . . 0.0 110.465 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 15.0 pt20 -104.98 130.32 53.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.399 1.062 . . . . 0.0 110.148 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -126.91 60.59 1.36 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.567 1.167 . . . . 0.0 110.322 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 72.09 -105.77 1.77 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.379 1.05 . . . . 0.0 110.864 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -98.8 -1.1 41.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.439 0.729 . . . . 0.0 110.311 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.511 ' CB ' ' HA2' ' A' ' 34' ' ' GLY . 0.1 OUTLIER -111.86 179.41 4.02 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.579 1.175 . . . . 0.0 109.274 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.641 ' HB3' ' O ' ' A' ' 36' ' ' THR . . . -128.42 120.09 26.24 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.444 1.09 . . . . 0.0 109.412 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.853 ' HA ' ' CB ' ' A' ' 33' ' ' SER . 23.1 t -104.13 120.34 40.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.639 1.212 . . . . 0.0 109.905 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.812 ' HB ' ' OH ' ' A' ' 35' ' ' TYR . 0.8 OUTLIER -123.01 118.51 27.94 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.399 1.062 . . . . 0.0 110.412 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.601 ' O ' ' HA ' ' A' ' 58' ' ' ALA . 7.8 pt20 -91.71 126.22 36.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.377 1.048 . . . . 0.0 110.256 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.737 ' HA ' ' CB ' ' A' ' 58' ' ' ALA . 0.8 OUTLIER -106.86 140.91 38.94 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.437 1.086 . . . . 0.0 110.14 179.955 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.713 ' HA ' ' HA ' ' A' ' 29' ' ' LEU . 0.5 OUTLIER -134.02 155.24 50.34 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.1 . . . . 0.0 110.286 -179.963 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 1.036 HD12 ' CE3' ' A' ' 44' ' ' TRP . 9.1 tt -134.26 138.13 44.82 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.542 1.151 . . . . 0.0 109.377 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.432 ' O ' ' HA ' ' A' ' 54' ' ' ASP . 0.0 OUTLIER -137.05 116.13 12.45 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.381 1.051 . . . . 0.0 110.467 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.816 HD12 ' O ' ' A' ' 76' ' ' SER . 0.4 OUTLIER -142.84 145.29 33.03 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.559 1.162 . . . . 0.0 109.36 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.816 ' O ' HD12 ' A' ' 75' ' ' LEU . 5.1 t -66.53 136.47 55.7 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.448 1.092 . . . . 0.0 109.965 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' GLN . . . . . 0.51 ' CB ' ' HB2' ' A' ' 24' ' ' PRO . 8.6 tp60 -57.71 -32.5 67.44 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 110.37 179.882 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 9.5 tttp -52.86 -51.3 61.55 Favored 'General case' 0 C--N 1.323 -0.563 0 O-C-N 124.6 1.187 . . . . 0.0 109.274 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' HIS . . . . . 0.582 ' CE1' HH21 ' A' ' 84' ' ' ARG . 3.4 m170 -58.69 -39.72 81.53 Favored 'General case' 0 N--CA 1.45 -0.435 0 O-C-N 124.577 1.173 . . . . 0.0 109.753 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' TRP . . . . . 0.905 ' CE3' HD12 ' A' ' 26' ' ' ILE . 28.2 t-105 -60.86 -33.77 73.59 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 107.994 -1.113 . . . . 0.0 107.994 179.902 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 4.4 tt -65.6 -38.61 89.97 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.452 1.095 . . . . 0.0 109.295 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 3.2 m -78.09 6.11 8.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.654 1.221 . . . . 0.0 109.918 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' ASP . . . . . 0.552 ' HB2' ' HA ' ' A' ' 104' ' ' SER . 0.0 OUTLIER 66.88 151.46 0.07 Allowed 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.463 1.102 . . . . 0.0 109.438 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.582 HH21 ' CE1' ' A' ' 79' ' ' HIS . 0.6 OUTLIER -173.11 -173.87 0.99 Allowed 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.613 1.196 . . . . 0.0 110.351 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.507 ' HB ' ' CB ' ' A' ' 47' ' ' ASP . 0.9 OUTLIER -138.65 103.46 4.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.39 1.056 . . . . 0.0 110.451 179.972 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.857 ' CE1' ' CZ3' ' A' ' 80' ' ' TRP . 0.0 OUTLIER -107.97 135.49 49.26 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.508 1.13 . . . . 0.0 110.942 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 87' ' ' THR . . . . . 1.167 ' HA ' ' CB ' ' A' ' 100' ' ' SER . 0.2 OUTLIER -149.29 124.79 10.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.353 1.033 . . . . 0.0 110.417 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 88' ' ' CYS . . . . . 1.039 ' HB3' ' CZ3' ' A' ' 44' ' ' TRP . 9.9 p -83.51 97.56 9.08 Favored 'General case' 0 C--N 1.323 -0.583 0 O-C-N 124.475 1.109 . . . . 0.0 108.259 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' GLN . . . . . 0.543 ' HA ' ' O ' ' A' ' 97' ' ' PHE . 19.6 tt0 -89.48 103.24 15.9 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.568 1.168 . . . . 0.0 110.305 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 1.026 HG11 HG21 ' A' ' 32' ' ' VAL . 4.1 t -94.76 125.7 47.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.614 1.196 . . . . 0.0 109.283 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.91 ' O ' ' HB ' ' A' ' 40' ' ' ILE . 0.9 OUTLIER -97.84 169.09 9.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.386 1.054 . . . . 0.0 110.421 179.954 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 92' ' ' TYR . . . . . 0.902 ' CE1' HG12 ' A' ' 90' ' ' VAL . 18.3 m-85 -145.9 159.16 43.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 0.0 111.088 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' GLN . . . . . 0.479 ' CD ' HG23 ' A' ' 36' ' ' THR . 2.6 mt-30 -45.8 -27.57 0.87 Allowed 'General case' 0 C--N 1.322 -0.613 0 O-C-N 124.511 1.132 . . . . 0.0 110.248 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -157.7 35.76 0.54 Allowed Glycine 0 CA--C 1.529 0.913 0 O-C-N 124.502 1.126 . . . . 0.0 110.975 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' HIS . . . . . 0.479 ' CA ' ' HB2' ' A' ' 92' ' ' TYR . 2.0 t-80 -159.55 173.46 16.12 Favored 'General case' 0 N--CA 1.45 -0.441 0 O-C-N 124.374 0.691 . . . . 0.0 109.605 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 6.1 t -160.58 166.12 29.56 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.64 1.212 . . . . 0.0 110.445 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' PHE . . . . . 0.652 ' CD1' HG11 ' A' ' 9' ' ' VAL . 2.3 t80 -169.1 167.94 10.26 Favored 'General case' 0 C--N 1.323 -0.564 0 O-C-N 124.471 1.107 . . . . 0.0 111.001 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.52 ' HG2' ' CG2' ' A' ' 87' ' ' THR . 8.6 tt0 -156.59 129.07 7.59 Favored 'General case' 0 C--N 1.323 -0.558 0 O-C-N 124.463 1.102 . . . . 0.0 110.324 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 99' ' ' ASP . . . . . 0.624 ' O ' ' SG ' ' A' ' 88' ' ' CYS . 66.7 m-20 -154.51 126.74 7.83 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.15 . . . . 0.0 109.276 179.873 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 100' ' ' SER . . . . . 1.167 ' CB ' ' HA ' ' A' ' 87' ' ' THR . 46.6 t -166.52 -142.01 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.335 1.022 . . . . 0.0 110.043 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 101' ' ' THR . . . . . 0.77 HG23 ' CD1' ' A' ' 86' ' ' TYR . 9.2 t -133.41 176.61 8.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.457 1.098 . . . . 0.0 110.411 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -168.76 145.12 3.61 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.576 1.172 . . . . 0.0 109.358 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 103' ' ' LYS . . . . . 0.443 ' HG3' ' N ' ' A' ' 104' ' ' SER . 0.4 OUTLIER -150.45 161.88 41.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 109.363 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 104' ' ' SER . . . . . 0.552 ' HA ' ' HB2' ' A' ' 83' ' ' ASP . 4.1 t -127.69 44.28 2.96 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 0.0 110.046 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 105' ' ' ALA . . . . . 0.522 ' HB2' ' HB3' ' A' ' 83' ' ' ASP . . . . . . . . 0 N--CA 1.451 -0.392 0 O-C-N 124.507 1.129 . . . . 0.0 109.198 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.452 -0.36 0 N-CA-C 109.999 -0.371 . . . . 0.0 109.999 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 1.4 ttt85 -164.87 176.58 8.58 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.547 1.155 . . . . 0.0 110.231 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.528 ' O ' ' CB ' ' A' ' 4' ' ' PHE . 23.7 t70 -161.75 165.75 27.56 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.392 1.058 . . . . 0.0 109.294 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.528 ' CB ' ' O ' ' A' ' 3' ' ' ASP . 0.6 OUTLIER 76.94 173.54 0.21 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 111.083 -179.965 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.813 HG22 ' HD2' ' A' ' 6' ' ' PRO . 0.2 OUTLIER -143.04 173.3 4.67 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.439 1.087 . . . . 0.0 110.329 -179.92 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.813 ' HD2' HG22 ' A' ' 5' ' ' THR . 18.4 Cg_endo -75.02 113.61 3.83 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.379 1.726 . . . . 0.0 111.031 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.653 ' HA ' ' HB3' ' A' ' 35' ' ' TYR . 18.2 Cg_endo -74.99 158.35 42.31 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.476 1.777 . . . . 0.0 110.965 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.571 ' O ' ' HA ' ' A' ' 32' ' ' VAL . 0.0 OUTLIER -158.26 127.49 5.71 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.57 1.169 . . . . 0.0 110.528 179.954 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.718 HG11 ' CG ' ' A' ' 97' ' ' PHE . 5.0 p -135.39 135.31 51.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 O-C-N 124.472 1.107 . . . . 0.0 109.265 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.788 ' CG ' HD12 ' A' ' 31' ' ' LEU . 11.1 mmmt -141.16 174.42 10.54 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.565 1.166 . . . . 0.0 109.384 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.552 ' CG1' ' O ' ' A' ' 99' ' ' ASP . 0.2 OUTLIER -128.47 126.89 66.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 O-C-N 124.404 1.065 . . . . 0.0 109.354 179.906 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.628 ' HB2' HD12 ' A' ' 29' ' ' LEU . 46.8 mt -120.87 127.4 51.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.454 1.096 . . . . 0.0 109.279 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -107.29 140.07 40.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.442 1.088 . . . . 0.0 110.386 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.491 ' HB3' ' CB ' ' A' ' 27' ' ' GLN . 0.2 OUTLIER -132.04 69.8 1.47 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.417 1.073 . . . . 0.0 109.961 -179.884 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 44.0 p -127.57 149.33 50.2 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.433 1.083 . . . . 0.0 110.005 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.424 ' O ' ' C ' ' A' ' 17' ' ' ASP . 8.6 t -155.88 77.9 0.97 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.371 1.044 . . . . 0.0 110.084 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.424 ' C ' ' O ' ' A' ' 16' ' ' SER . 0.0 OUTLIER -38.38 155.56 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.476 1.11 . . . . 0.0 109.303 -179.94 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 147.54 152.27 5.63 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.512 1.133 . . . . 0.0 111.064 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -103.98 129.2 9.77 Favored Glycine 0 CA--C 1.528 0.879 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 97.55 149.96 25.92 Favored Glycine 0 CA--C 1.532 1.109 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' HIS . . . . . 0.421 ' O ' ' O ' ' A' ' 22' ' ' PHE . 0.1 OUTLIER 71.09 112.58 0.06 Allowed 'General case' 0 C--N 1.323 -0.555 0 O-C-N 124.616 0.833 . . . . 0.0 109.603 -179.919 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.421 ' O ' ' O ' ' A' ' 21' ' ' HIS . 96.4 m-85 56.15 158.82 0.07 OUTLIER Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.622 1.201 . . . . 0.0 110.985 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.46 ' HA ' ' HD3' ' A' ' 24' ' ' PRO . 18.3 Cg_endo -75.2 144.22 29.37 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.43 1.753 . . . . 0.0 110.914 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.46 ' HD3' ' HA ' ' A' ' 23' ' ' PRO . 18.0 Cg_endo -75.0 106.43 2.27 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.629 1.857 . . . . 0.0 110.969 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 29.7 p -143.31 -166.83 2.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.448 1.093 . . . . 0.0 110.381 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.936 HD12 ' CE3' ' A' ' 80' ' ' TRP . 0.4 OUTLIER -137.68 130.89 42.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 O-C-N 124.442 1.089 . . . . 0.0 109.293 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.526 ' HA ' ' O ' ' A' ' 73' ' ' LEU . 0.3 OUTLIER -117.59 86.07 2.45 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.57 1.169 . . . . 0.0 110.362 179.948 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.913 HD11 HD13 ' A' ' 26' ' ' ILE . 2.9 mt -101.11 105.76 16.95 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.558 1.161 . . . . 0.0 109.282 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.81 ' HA ' ' HA ' ' A' ' 72' ' ' GLU . 0.3 OUTLIER -110.36 134.76 51.98 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.528 1.142 . . . . 0.0 109.339 179.918 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.496 ' SG ' ' O ' ' A' ' 10' ' ' LYS . 0.1 OUTLIER -90.74 162.52 14.85 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.474 1.109 . . . . 0.0 108.387 179.927 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 1.01 ' O ' HD13 ' A' ' 31' ' ' LEU . 0.2 OUTLIER -127.65 102.65 6.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.605 1.191 . . . . 0.0 109.246 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 1.185 HG22 ' CE2' ' A' ' 35' ' ' TYR . 1.5 p -136.58 110.78 9.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 O-C-N 124.53 1.143 . . . . 0.0 109.227 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.863 ' CB ' ' HA ' ' A' ' 68' ' ' SER . 17.8 p -150.35 -179.03 6.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.581 1.176 . . . . 0.0 109.955 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.701 ' HA2' ' HB2' ' A' ' 66' ' ' LEU . . . 80.48 -46.66 3.3 Favored Glycine 0 CA--C 1.529 0.925 0 O-C-N 124.43 1.081 . . . . 0.0 111.009 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 1.185 ' CE2' HG22 ' A' ' 32' ' ' VAL . 14.7 p90 -65.67 152.43 44.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 0.752 . . . . 0.0 110.988 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.76 HG21 ' O ' ' A' ' 39' ' ' THR . 4.1 m 49.56 139.64 0.01 OUTLIER Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.59 1.181 . . . . 0.0 110.376 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.458 ' HD3' ' HA ' ' A' ' 36' ' ' THR . 17.9 Cg_endo -75.09 -14.44 20.95 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.498 1.788 . . . . 0.0 110.981 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.655 ' O ' ' CB ' ' A' ' 39' ' ' THR . . . -125.42 0.17 8.04 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.528 1.142 . . . . 0.0 110.984 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.76 ' O ' HG21 ' A' ' 36' ' ' THR . 0.7 OUTLIER 95.12 -168.24 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.451 0.736 . . . . 0.0 110.363 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.901 ' HB ' ' O ' ' A' ' 91' ' ' THR . 1.3 pt -128.47 -142.23 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.49 1.119 . . . . 0.0 109.394 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ASN . . . . . 0.404 ' HB3' ' HB ' ' A' ' 91' ' ' THR . 58.8 t30 -108.58 153.6 23.15 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.31 1.006 . . . . 0.0 109.319 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.969 HG21 ' HB3' ' A' ' 58' ' ' ALA . 7.1 mt -117.33 128.02 74.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.552 1.157 . . . . 0.0 109.291 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.486 ' C ' ' CD1' ' A' ' 44' ' ' TRP . 7.6 m -157.65 163.65 38.01 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.112 . . . . 0.0 110.44 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 1.009 ' CZ3' ' HB3' ' A' ' 88' ' ' CYS . 19.2 m95 -143.0 130.65 21.34 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 124.516 1.135 . . . . 0.0 108.035 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.616 HD23 ' OE2' ' A' ' 98' ' ' GLU . 8.2 tp -84.32 104.79 14.64 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.617 1.198 . . . . 0.0 109.338 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.459 ' HG2' ' NH1' ' A' ' 84' ' ' ARG . 5.6 tm-20 -98.43 142.12 30.45 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.469 1.105 . . . . 0.0 110.339 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.53 ' CB ' ' HB ' ' A' ' 85' ' ' THR . 0.2 OUTLIER -154.63 104.56 2.55 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 109.425 179.947 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.427 ' HA3' ' HG3' ' A' ' 84' ' ' ARG . . . 160.81 -74.28 0.2 Allowed Glycine 0 CA--C 1.529 0.92 0 O-C-N 124.593 1.183 . . . . 0.0 111.011 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.425 ' O ' ' CE1' ' A' ' 79' ' ' HIS . 0.0 OUTLIER 172.14 101.49 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.46 0.741 . . . . 0.0 110.29 -179.954 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.511 ' O ' HG13 ' A' ' 50' ' ' VAL . 14.5 p -64.35 109.5 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.564 1.165 . . . . 0.0 109.264 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' MET . . . . . 0.566 ' HB3' ' CE1' ' A' ' 79' ' ' HIS . 17.0 ptm -65.77 -155.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.443 1.089 . . . . 0.0 111.082 179.88 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.477 ' N ' ' HG3' ' A' ' 51' ' ' MET . 45.1 t0 -60.59 -58.11 9.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.578 1.174 . . . . 0.0 109.389 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -130.25 91.58 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.591 1.182 . . . . 0.0 109.257 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.528 ' HA ' ' O ' ' A' ' 74' ' ' THR . 1.1 t0 -144.91 80.25 1.62 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.448 1.092 . . . . 0.0 109.364 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 1.132 HD22 ' N ' ' A' ' 56' ' ' SER . 0.0 OUTLIER -140.0 163.35 32.92 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 109.397 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 56' ' ' SER . . . . . 1.132 ' N ' HD22 ' A' ' 55' ' ' LEU . 0.0 OUTLIER -127.92 133.81 49.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.564 1.165 . . . . 0.0 110.002 -179.939 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -133.34 156.71 47.13 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.523 1.139 . . . . 0.0 110.374 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.969 ' HB3' HG21 ' A' ' 42' ' ' ILE . . . -133.69 150.71 51.54 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.673 1.233 . . . . 0.0 109.352 179.843 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' SER . . . . . 0.635 ' O ' ' HA ' ' A' ' 69' ' ' THR . 0.4 OUTLIER -109.84 146.4 35.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 0.0 110.011 179.954 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.416 ' CB ' HG21 ' A' ' 39' ' ' THR . 2.0 t -104.63 144.29 31.91 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.396 1.06 . . . . 0.0 110.472 179.883 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.716 ' OG1' ' O ' ' A' ' 68' ' ' SER . 1.2 p -138.86 159.44 42.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 110.41 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 34.2 tt0 -100.73 121.71 42.13 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.367 1.042 . . . . 0.0 110.248 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.585 ' O ' ' HG ' ' A' ' 66' ' ' LEU . 1.0 OUTLIER -120.33 60.82 0.87 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 0.0 110.247 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 75.66 -102.84 1.56 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.377 1.048 . . . . 0.0 110.981 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -101.87 -1.65 31.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 0.784 . . . . 0.0 110.277 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.701 ' HB2' ' HA2' ' A' ' 34' ' ' GLY . 0.3 OUTLIER -112.23 177.91 4.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 109.364 179.919 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.717 ' CB ' ' O ' ' A' ' 36' ' ' THR . . . -135.81 121.12 19.12 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.458 1.099 . . . . 0.0 109.203 -179.884 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.863 ' HA ' ' CB ' ' A' ' 33' ' ' SER . 19.1 t -101.98 118.77 37.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.954 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.635 ' HA ' ' O ' ' A' ' 59' ' ' SER . 0.9 OUTLIER -123.76 113.9 19.19 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.53 1.144 . . . . 0.0 110.424 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.564 ' O ' ' HA ' ' A' ' 58' ' ' ALA . 6.0 pt20 -97.78 125.81 42.8 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.625 1.203 . . . . 0.0 110.31 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.823 ' HA ' ' CB ' ' A' ' 58' ' ' ALA . 0.7 OUTLIER -104.97 151.6 23.71 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.506 1.128 . . . . 0.0 110.035 179.983 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.81 ' HA ' ' HA ' ' A' ' 29' ' ' LEU . 1.5 mt-10 -143.09 155.07 44.53 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.428 1.08 . . . . 0.0 110.316 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.934 HD13 ' OG ' ' A' ' 56' ' ' SER . 11.4 tp -134.43 143.47 47.58 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.474 1.109 . . . . 0.0 109.413 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.825 ' H ' HD12 ' A' ' 73' ' ' LEU . 0.1 OUTLIER -141.62 117.02 10.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.456 1.098 . . . . 0.0 110.345 -179.94 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.847 HD13 HH21 ' A' ' 84' ' ' ARG . 0.1 OUTLIER -145.28 158.81 43.74 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.462 1.101 . . . . 0.0 109.313 179.934 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.484 ' N ' HD12 ' A' ' 75' ' ' LEU . 38.7 t -77.56 136.26 38.27 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.473 1.108 . . . . 0.0 110.065 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' GLN . . . . . 0.411 ' O ' ' HB3' ' A' ' 80' ' ' TRP . 0.0 OUTLIER -59.14 -34.59 72.25 Favored 'General case' 0 C--N 1.327 -0.399 0 O-C-N 124.521 1.138 . . . . 0.0 110.38 179.968 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 19.1 tttm -53.36 -51.09 63.59 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.42 1.075 . . . . 0.0 109.316 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' HIS . . . . . 0.566 ' CE1' ' HB3' ' A' ' 51' ' ' MET . 1.0 OUTLIER -56.72 -38.28 72.13 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 124.608 1.193 . . . . 0.0 109.691 179.925 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 80' ' ' TRP . . . . . 0.936 ' CE3' HD12 ' A' ' 26' ' ' ILE . 13.1 t-105 -60.01 -33.86 72.56 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.547 1.154 . . . . 0.0 108.026 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 1.1 mt -65.36 -38.92 91.54 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.512 1.132 . . . . 0.0 109.325 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' SER . . . . . 0.501 ' O ' ' HB3' ' A' ' 83' ' ' ASP . 0.2 OUTLIER -79.4 8.22 6.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.597 1.185 . . . . 0.0 109.987 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 83' ' ' ASP . . . . . 0.558 ' CA ' ' HB2' ' A' ' 104' ' ' SER . 0.0 OUTLIER 69.1 149.14 0.07 Allowed 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.561 1.163 . . . . 0.0 109.309 179.949 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.847 HH21 HD13 ' A' ' 75' ' ' LEU . 8.7 ttp85 -170.4 178.05 3.86 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.432 1.082 . . . . 0.0 110.318 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.53 ' HB ' ' CB ' ' A' ' 47' ' ' ASP . 1.2 m -132.09 97.83 4.26 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.116 . . . . 0.0 110.495 -179.911 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.869 ' CZ ' ' CE3' ' A' ' 80' ' ' TRP . 0.0 OUTLIER -114.12 119.54 37.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.573 1.171 . . . . 0.0 110.939 -179.886 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 87' ' ' THR . . . . . 1.387 ' HA ' ' CB ' ' A' ' 100' ' ' SER . 0.9 OUTLIER -139.69 141.59 36.96 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 110.295 -179.951 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 88' ' ' CYS . . . . . 1.009 ' HB3' ' CZ3' ' A' ' 44' ' ' TRP . 29.6 p -94.36 100.25 12.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.596 1.185 . . . . 0.0 108.349 179.827 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' GLN . . . . . 0.481 ' H ' ' HA ' ' A' ' 44' ' ' TRP . 25.8 tt0 -94.62 104.82 16.76 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.676 1.235 . . . . 0.0 110.317 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 1.039 HG11 HG21 ' A' ' 32' ' ' VAL . 0.5 OUTLIER -100.18 122.04 51.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.521 1.138 . . . . 0.0 109.257 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.901 ' O ' ' HB ' ' A' ' 40' ' ' ILE . 0.6 OUTLIER -94.52 166.39 12.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.13 . . . . 0.0 110.295 -179.959 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 92' ' ' TYR . . . . . 0.882 ' CD1' HD12 ' A' ' 40' ' ' ILE . 31.6 m-85 -134.43 157.04 47.47 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 111.057 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -49.37 -21.82 0.97 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.535 1.147 . . . . 0.0 110.36 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -157.16 35.19 0.56 Allowed Glycine 0 CA--C 1.528 0.896 0 O-C-N 124.456 1.098 . . . . 0.0 111.054 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' HIS . . . . . 0.472 ' CA ' ' HB2' ' A' ' 92' ' ' TYR . 5.6 t60 -162.7 177.83 9.02 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.487 0.757 . . . . 0.0 109.566 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 13.3 t -160.94 152.98 19.95 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 110.392 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' PHE . . . . . 0.718 ' CG ' HG11 ' A' ' 9' ' ' VAL . 3.4 t80 -161.42 158.64 27.07 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.619 1.199 . . . . 0.0 110.998 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.616 ' OE2' HD23 ' A' ' 45' ' ' LEU . 3.5 tt0 -156.11 133.07 10.51 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.584 1.177 . . . . 0.0 110.355 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 99' ' ' ASP . . . . . 0.588 ' O ' ' SG ' ' A' ' 88' ' ' CYS . 0.7 OUTLIER -158.03 130.93 7.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.661 1.225 . . . . 0.0 109.387 -179.955 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 100' ' ' SER . . . . . 1.387 ' CB ' ' HA ' ' A' ' 87' ' ' THR . 7.8 t -171.82 -143.27 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.549 1.155 . . . . 0.0 110.05 -179.846 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 101' ' ' THR . . . . . 0.845 HG23 ' CD1' ' A' ' 86' ' ' TYR . 3.7 t -134.5 -176.15 4.12 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.292 0.995 . . . . 0.0 110.419 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.488 ' N ' ' OG1' ' A' ' 101' ' ' THR . 16.3 pttt -169.38 -157.02 0.16 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.586 1.179 . . . . 0.0 109.275 -179.888 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 103' ' ' LYS . . . . . 0.759 ' HG2' ' N ' ' A' ' 104' ' ' SER . 0.0 OUTLIER 59.1 -174.71 0.1 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.411 1.069 . . . . 0.0 109.3 -179.956 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 104' ' ' SER . . . . . 0.759 ' N ' ' HG2' ' A' ' 103' ' ' LYS . 17.1 t -104.87 -124.36 0.22 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.613 1.196 . . . . 0.0 109.901 -179.887 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 105' ' ' ALA . . . . . 0.527 ' N ' ' OG ' ' A' ' 104' ' ' SER . . . . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 109.339 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 1.1 m . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 110.021 -0.363 . . . . 0.0 110.021 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 1.8 ttt180 174.11 173.52 0.18 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.142 . . . . 0.0 110.311 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.701 ' O ' ' CD1' ' A' ' 4' ' ' PHE . 0.0 OUTLIER 52.11 176.86 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.568 0 O-C-N 124.457 1.098 . . . . 0.0 109.266 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.701 ' CD1' ' O ' ' A' ' 3' ' ' ASP . 0.0 OUTLIER 85.74 158.57 0.09 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.579 1.174 . . . . 0.0 110.912 179.887 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.439 ' OG1' ' HD2' ' A' ' 6' ' ' PRO . 0.4 OUTLIER -91.19 161.98 33.57 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.452 1.095 . . . . 0.0 110.472 179.951 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.439 ' HD2' ' OG1' ' A' ' 5' ' ' THR . 18.1 Cg_endo -75.05 116.1 4.48 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.403 1.738 . . . . 0.0 111.023 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.749 ' HA ' ' HB3' ' A' ' 35' ' ' TYR . 18.5 Cg_endo -74.94 153.53 42.13 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.53 1.805 . . . . 0.0 110.976 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.661 ' O ' ' HA ' ' A' ' 32' ' ' VAL . 0.0 OUTLIER -152.78 124.29 7.73 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.577 1.173 . . . . 0.0 110.43 179.908 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.72 HG11 ' CD2' ' A' ' 97' ' ' PHE . 6.9 p -131.36 137.8 54.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.592 1.183 . . . . 0.0 109.394 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.555 ' HB2' ' CD1' ' A' ' 31' ' ' LEU . 24.8 mttt -142.96 165.71 26.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.613 1.196 . . . . 0.0 109.253 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.588 HD13 ' SG ' ' A' ' 30' ' ' CYS . 4.4 tp -126.57 117.21 47.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.384 1.053 . . . . 0.0 109.262 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.725 ' HB2' HD12 ' A' ' 29' ' ' LEU . 47.9 mt -113.13 129.52 56.48 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.505 1.128 . . . . 0.0 109.268 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.52 ' HB3' HD22 ' A' ' 28' ' ' LEU . 0.0 OUTLIER -106.31 138.95 41.57 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.422 1.076 . . . . 0.0 110.372 179.917 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.469 ' HB3' ' CB ' ' A' ' 27' ' ' GLN . 0.2 OUTLIER -132.61 71.59 1.47 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.496 1.122 . . . . 0.0 110.037 179.919 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 8.4 t -125.58 -39.54 2.15 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.414 1.071 . . . . 0.0 109.988 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.411 ' O ' ' HB2' ' A' ' 17' ' ' ASP . 0.4 OUTLIER -64.71 146.98 53.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 109.991 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.411 ' HB2' ' O ' ' A' ' 16' ' ' SER . 50.9 t0 176.78 171.61 0.47 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 109.256 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -41.94 110.99 0.26 Allowed Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.612 1.195 . . . . 0.0 111.051 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 74.83 -176.09 49.36 Favored Glycine 0 CA--C 1.531 1.049 0 N-CA-C 110.927 -0.869 . . . . 0.0 110.927 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -123.08 34.31 3.74 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.61 0.829 . . . . 0.0 111.039 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -142.33 3.3 1.52 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.529 0.782 . . . . 0.0 109.616 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.524 ' N ' ' CD ' ' A' ' 23' ' ' PRO . 0.2 OUTLIER -81.5 -49.66 0.96 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.701 1.251 . . . . 0.0 111.026 179.903 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.524 ' CD ' ' N ' ' A' ' 22' ' ' PHE . 18.1 Cg_endo -74.92 113.67 3.85 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.475 1.776 . . . . 0.0 111.075 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.03 -33.25 4.69 Favored 'Trans proline' 0 C--N 1.359 1.095 0 O-C-N 124.617 1.851 . . . . 0.0 111.014 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.825 HG22 ' HA ' ' A' ' 76' ' ' SER . 67.5 p -136.36 -172.0 3.03 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.571 1.169 . . . . 0.0 110.355 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.945 HD13 HD11 ' A' ' 28' ' ' LEU . 2.6 tt -109.85 133.81 53.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.417 1.073 . . . . 0.0 109.212 -179.845 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.469 ' CB ' ' HB3' ' A' ' 14' ' ' SER . 4.2 mt-30 -118.19 77.7 1.18 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.598 1.186 . . . . 0.0 110.34 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.945 HD11 HD13 ' A' ' 26' ' ' ILE . 3.5 mt -96.39 106.45 18.68 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.494 1.121 . . . . 0.0 109.414 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.725 HD12 ' HB2' ' A' ' 12' ' ' LEU . 0.5 OUTLIER -115.48 131.83 56.81 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 109.325 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.588 ' SG ' HD13 ' A' ' 11' ' ' ILE . 1.1 m -90.62 168.04 12.09 Favored 'General case' 0 C--N 1.327 -0.379 0 O-C-N 124.529 1.143 . . . . 0.0 108.229 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.877 HD22 ' C ' ' A' ' 31' ' ' LEU . 0.0 OUTLIER -128.42 97.91 4.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.464 1.102 . . . . 0.0 109.354 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 1.137 HG22 ' CE2' ' A' ' 35' ' ' TYR . 1.4 p -129.93 106.8 13.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 O-C-N 124.535 1.147 . . . . 0.0 109.319 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.923 ' CB ' ' HA ' ' A' ' 68' ' ' SER . 8.3 p -148.86 -178.04 6.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.387 1.055 . . . . 0.0 109.89 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.634 ' HA2' ' HB3' ' A' ' 66' ' ' LEU . . . 80.31 -46.73 3.28 Favored Glycine 0 CA--C 1.531 1.083 0 O-C-N 124.496 1.123 . . . . 0.0 110.965 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 1.137 ' CE2' HG22 ' A' ' 32' ' ' VAL . 15.3 p90 -65.23 148.94 50.79 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.582 0.813 . . . . 0.0 110.958 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.752 ' O ' ' HB3' ' A' ' 67' ' ' ALA . 4.1 m 51.48 139.56 0.01 OUTLIER Pre-proline 0 C--N 1.326 -0.42 0 O-C-N 124.448 1.092 . . . . 0.0 110.394 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.45 ' C ' ' HB2' ' A' ' 67' ' ' ALA . 18.3 Cg_endo -74.98 -14.19 21.25 Favored 'Trans proline' 0 C--N 1.361 1.211 0 O-C-N 124.614 1.849 . . . . 0.0 111.076 179.906 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.582 ' O ' ' CB ' ' A' ' 39' ' ' THR . . . -124.94 3.93 8.47 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.364 1.04 . . . . 0.0 110.931 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.801 HG23 ' N ' ' A' ' 40' ' ' ILE . 0.5 OUTLIER 88.58 -168.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.407 0.71 . . . . 0.0 110.417 -179.942 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.87 ' HB ' ' O ' ' A' ' 91' ' ' THR . 1.2 pt -125.94 -139.92 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 0.0 109.354 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ASN . . . . . 0.529 ' C ' HD13 ' A' ' 42' ' ' ILE . 63.7 t30 -114.11 157.04 23.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.401 1.063 . . . . 0.0 109.342 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.844 HG21 ' HB3' ' A' ' 58' ' ' ALA . 3.5 mm -115.05 128.96 72.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.449 1.093 . . . . 0.0 109.264 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.527 ' C ' ' CD1' ' A' ' 44' ' ' TRP . 1.2 m -153.39 159.27 42.37 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.519 1.137 . . . . 0.0 110.424 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 1.065 ' CZ3' ' HB3' ' A' ' 88' ' ' CYS . 20.2 m95 -146.17 130.34 17.49 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.047 -1.094 . . . . 0.0 108.047 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.414 ' HB2' ' OE1' ' A' ' 98' ' ' GLU . 0.5 OUTLIER -96.81 111.83 23.84 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.478 1.111 . . . . 0.0 109.453 179.962 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.418 ' CD ' ' HB ' ' A' ' 50' ' ' VAL . 2.4 tm-20 -101.89 142.97 32.38 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.525 1.141 . . . . 0.0 110.36 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.513 ' CB ' ' HB ' ' A' ' 85' ' ' THR . 0.2 OUTLIER -137.11 92.45 2.72 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.57 1.169 . . . . 0.0 109.311 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 156.24 40.52 0.02 OUTLIER Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.479 1.112 . . . . 0.0 110.989 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 52.1 mm-40 64.33 96.74 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.481 0.754 . . . . 0.0 110.395 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.512 ' O ' HG13 ' A' ' 50' ' ' VAL . 8.9 p -86.06 43.55 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.447 1.092 . . . . 0.0 109.293 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -88.85 -12.81 40.83 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.438 1.086 . . . . 0.0 110.966 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.561 ' HB2' ' CE1' ' A' ' 79' ' ' HIS . 1.1 t70 -65.89 -154.73 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.453 1.096 . . . . 0.0 109.28 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.667 ' CG1' ' O ' ' A' ' 53' ' ' VAL . 1.0 OUTLIER -125.39 14.39 4.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.412 1.07 . . . . 0.0 109.246 -179.941 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.524 ' HB2' ' CB ' ' A' ' 75' ' ' LEU . 3.0 p30 -93.08 126.9 38.41 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.148 . . . . 0.0 109.393 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 1.106 HD22 ' N ' ' A' ' 56' ' ' SER . 0.0 OUTLIER -141.95 162.59 35.08 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.37 1.044 . . . . 0.0 109.28 -179.964 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 56' ' ' SER . . . . . 1.106 ' N ' HD22 ' A' ' 55' ' ' LEU . 2.6 p -125.8 127.72 46.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 110.002 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.472 ' O ' ' N ' ' A' ' 72' ' ' GLU . 0.2 OUTLIER -130.84 163.84 26.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.606 1.191 . . . . 0.0 110.437 179.973 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.844 ' HB3' HG21 ' A' ' 42' ' ' ILE . . . -131.11 150.99 51.9 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.118 . . . . 0.0 109.295 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' SER . . . . . 0.562 ' O ' ' HA ' ' A' ' 69' ' ' THR . 2.3 t -104.33 152.61 22.04 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.406 1.066 . . . . 0.0 109.976 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.48 HG23 ' CB ' ' A' ' 39' ' ' THR . 22.2 m -108.27 142.51 38.45 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.613 1.195 . . . . 0.0 110.38 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.665 ' OG1' ' O ' ' A' ' 68' ' ' SER . 0.7 OUTLIER -142.02 156.04 45.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.568 1.167 . . . . 0.0 110.423 179.964 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -99.88 127.45 46.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.449 1.093 . . . . 0.0 110.359 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -125.94 61.47 1.26 Allowed 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.396 1.06 . . . . 0.0 110.37 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 74.23 -105.42 1.83 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.512 1.133 . . . . 0.0 111.052 -179.872 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -100.99 0.32 37.95 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.582 0.813 . . . . 0.0 110.25 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.634 ' HB3' ' HA2' ' A' ' 34' ' ' GLY . 5.7 mp -111.37 176.91 4.83 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.563 1.164 . . . . 0.0 109.235 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.752 ' HB3' ' O ' ' A' ' 36' ' ' THR . . . -133.14 121.26 22.33 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.457 1.098 . . . . 0.0 109.321 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.923 ' HA ' ' CB ' ' A' ' 33' ' ' SER . 39.8 t -103.69 120.17 40.39 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.983 -179.911 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.611 ' HB ' ' OH ' ' A' ' 35' ' ' TYR . 0.9 OUTLIER -124.25 112.22 16.77 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.485 1.115 . . . . 0.0 110.464 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.534 ' O ' ' N ' ' A' ' 59' ' ' SER . 4.5 tt0 -93.25 126.72 38.51 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.459 1.1 . . . . 0.0 110.262 -179.897 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.77 ' HA ' ' CB ' ' A' ' 58' ' ' ALA . 0.0 OUTLIER -100.9 146.37 27.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.972 -179.95 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.678 ' HA ' ' HA ' ' A' ' 29' ' ' LEU . 0.4 OUTLIER -140.88 154.05 45.98 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.352 1.032 . . . . 0.0 110.294 -179.973 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.857 HD22 HD12 ' A' ' 28' ' ' LEU . 8.8 tt -137.55 134.9 36.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.45 1.094 . . . . 0.0 109.329 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.432 ' HA ' ' O ' ' A' ' 26' ' ' ILE . 0.0 OUTLIER -133.59 114.68 13.81 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.473 1.108 . . . . 0.0 110.456 179.904 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.789 HD12 ' O ' ' A' ' 76' ' ' SER . 0.3 OUTLIER -145.09 137.54 26.03 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.415 1.072 . . . . 0.0 109.34 -179.967 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.825 ' HA ' HG22 ' A' ' 25' ' ' THR . 48.2 m -65.38 137.88 57.78 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.485 1.116 . . . . 0.0 110.058 179.892 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 6.9 mm-40 -53.8 -28.01 32.64 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.463 1.102 . . . . 0.0 110.154 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 3.8 mttt -54.63 -54.81 36.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.456 1.097 . . . . 0.0 109.279 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' HIS . . . . . 0.561 ' CE1' ' HB2' ' A' ' 52' ' ' ASP . 0.6 OUTLIER -57.46 -37.83 73.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.595 1.184 . . . . 0.0 109.541 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 80' ' ' TRP . . . . . 0.922 ' CZ3' ' CE1' ' A' ' 86' ' ' TYR . 22.5 t-105 -60.28 -37.57 80.88 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.607 1.192 . . . . 0.0 108.063 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -68.69 -32.27 71.97 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.514 1.134 . . . . 0.0 109.322 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' SER . . . . . 0.515 ' O ' ' HB2' ' A' ' 83' ' ' ASP . 0.3 OUTLIER -76.8 5.11 8.28 Favored 'General case' 0 C--N 1.326 -0.413 0 O-C-N 124.488 1.118 . . . . 0.0 109.994 179.929 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 83' ' ' ASP . . . . . 0.515 ' HB2' ' O ' ' A' ' 82' ' ' SER . 20.0 m-20 70.1 146.72 0.06 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.464 1.102 . . . . 0.0 109.311 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.554 ' NH2' ' HD1' ' A' ' 79' ' ' HIS . 6.7 ttp85 177.58 175.02 0.47 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.523 1.139 . . . . 0.0 110.214 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.513 ' HB ' ' CB ' ' A' ' 47' ' ' ASP . 0.8 OUTLIER -134.81 105.51 6.47 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.432 1.082 . . . . 0.0 110.452 179.902 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.922 ' CE1' ' CZ3' ' A' ' 80' ' ' TRP . 0.0 OUTLIER -104.29 132.48 50.5 Favored 'General case' 0 C--N 1.322 -0.592 0 O-C-N 124.495 1.122 . . . . 0.0 111.023 -179.965 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 87' ' ' THR . . . . . 1.216 ' HA ' ' CB ' ' A' ' 100' ' ' SER . 0.2 OUTLIER -148.27 126.27 12.05 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.609 1.193 . . . . 0.0 110.417 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 88' ' ' CYS . . . . . 1.065 ' HB3' ' CZ3' ' A' ' 44' ' ' TRP . 17.1 p -84.51 99.39 10.69 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.524 1.14 . . . . 0.0 108.233 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 89' ' ' GLN . . . . . 0.473 ' HA ' ' O ' ' A' ' 97' ' ' PHE . 52.5 tt0 -93.06 102.45 14.78 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.454 1.096 . . . . 0.0 110.297 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 1.003 HG11 HG21 ' A' ' 32' ' ' VAL . 0.5 OUTLIER -96.44 122.88 48.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.432 1.083 . . . . 0.0 109.168 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.87 ' O ' ' HB ' ' A' ' 40' ' ' ILE . 0.6 OUTLIER -92.53 165.85 12.81 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.538 1.149 . . . . 0.0 110.362 179.957 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 92' ' ' TYR . . . . . 0.836 ' CD1' HD12 ' A' ' 40' ' ' ILE . 36.7 m-85 -135.53 159.63 41.01 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.477 1.111 . . . . 0.0 111.05 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 93' ' ' GLN . . . . . 0.417 ' CD ' ' CG2' ' A' ' 36' ' ' THR . 0.8 OUTLIER -47.45 -26.35 1.33 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 110.339 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -156.65 33.58 0.58 Allowed Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.414 1.071 . . . . 0.0 110.938 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' HIS . . . . . 0.49 ' C ' ' HB2' ' A' ' 92' ' ' TYR . 2.7 t-160 -157.79 178.92 9.71 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.536 0.786 . . . . 0.0 109.569 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 12.5 t -159.37 156.5 28.62 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.466 1.103 . . . . 0.0 110.404 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' PHE . . . . . 0.72 ' CD2' HG11 ' A' ' 9' ' ' VAL . 18.1 t80 -160.7 160.01 30.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 111.007 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.568 ' HG2' HG22 ' A' ' 87' ' ' THR . 29.5 tt0 -157.72 130.81 7.59 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.46 1.1 . . . . 0.0 110.293 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 99' ' ' ASP . . . . . 0.602 ' O ' ' SG ' ' A' ' 88' ' ' CYS . 4.4 m-20 -158.28 129.64 6.56 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.617 1.198 . . . . 0.0 109.271 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 100' ' ' SER . . . . . 1.216 ' CB ' ' HA ' ' A' ' 87' ' ' THR . 40.7 t -167.02 -141.84 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.471 1.107 . . . . 0.0 109.929 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 101' ' ' THR . . . . . 0.662 HG23 ' CD1' ' A' ' 86' ' ' TYR . 9.0 t -132.17 173.02 11.67 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.476 1.11 . . . . 0.0 110.458 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.416 ' CB ' ' OG1' ' A' ' 85' ' ' THR . 0.0 OUTLIER -171.43 137.17 1.06 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.555 1.159 . . . . 0.0 109.317 -179.833 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 2.7 mmtt -150.58 -173.67 4.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.545 1.153 . . . . 0.0 109.211 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' SER . . . . . 0.513 ' C ' ' OD1' ' A' ' 83' ' ' ASP . 5.0 t -149.39 18.83 0.94 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.53 1.144 . . . . 0.0 109.915 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.428 1.08 . . . . 0.0 109.342 179.984 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' SER . . . . . 0.444 ' O ' ' C ' ' A' ' 2' ' ' ARG . 2.6 m . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 110.001 -0.37 . . . . 0.0 110.001 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ARG . . . . . 0.444 ' C ' ' O ' ' A' ' 1' ' ' SER . 4.7 mtt85 35.68 -136.95 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.471 1.107 . . . . 0.0 110.375 -179.899 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.428 ' O ' ' O ' ' A' ' 2' ' ' ARG . 0.0 OUTLIER 57.66 157.4 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.446 1.091 . . . . 0.0 109.332 -179.941 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.464 ' O ' ' CG ' ' A' ' 4' ' ' PHE . 0.6 OUTLIER 56.67 95.91 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.453 1.096 . . . . 0.0 110.955 -179.994 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.691 ' O ' ' HD3' ' A' ' 7' ' ' PRO . 0.5 OUTLIER -165.42 151.96 9.01 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.149 . . . . 0.0 110.346 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.625 ' HB3' ' CE1' ' A' ' 95' ' ' HIS . 18.5 Cg_endo -74.99 106.01 2.19 Favored 'Trans proline' 0 C--N 1.362 1.243 0 O-C-N 124.497 1.788 . . . . 0.0 111.009 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.882 ' HG3' ' N ' ' A' ' 35' ' ' TYR . 18.2 Cg_endo -74.97 -94.83 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.51 1.795 . . . . 0.0 110.973 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.642 ' OG1' ' C ' ' A' ' 7' ' ' PRO . 0.2 OUTLIER -171.14 149.94 2.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 110.332 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.96 HG23 ' HB ' ' A' ' 32' ' ' VAL . 9.3 p -132.37 148.45 31.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.605 1.19 . . . . 0.0 109.191 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.711 ' CB ' HD12 ' A' ' 31' ' ' LEU . 1.9 mtpt -135.77 162.84 31.65 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.589 1.181 . . . . 0.0 109.304 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.615 HG13 ' HA ' ' A' ' 100' ' ' SER . 0.0 OUTLIER -133.5 116.01 23.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 O-C-N 124.482 1.114 . . . . 0.0 109.324 179.982 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.995 HD12 HD21 ' A' ' 31' ' ' LEU . 72.5 mt -114.85 132.43 56.51 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.57 1.169 . . . . 0.0 109.322 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -107.18 148.99 28.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.332 1.02 . . . . 0.0 110.21 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.487 ' N ' ' O ' ' A' ' 27' ' ' GLN . 1.8 t -132.54 69.81 1.48 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.548 1.155 . . . . 0.0 109.881 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 35.1 p -112.53 83.84 1.88 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 0.0 109.983 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -85.38 -168.19 2.13 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.451 1.095 . . . . 0.0 110.057 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 19.5 t70 178.55 160.1 0.59 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.593 1.183 . . . . 0.0 109.292 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 160.97 -56.89 0.31 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.476 1.11 . . . . 0.0 111.032 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 162.37 144.77 4.11 Favored Glycine 0 CA--C 1.53 1.023 0 N-CA-C 110.9 -0.88 . . . . 0.0 110.9 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -179.51 154.36 13.68 Favored Glycine 0 CA--C 1.53 1.001 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 1.5 m-70 -78.58 -38.37 40.31 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.557 0.798 . . . . 0.0 109.621 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 6.8 m-85 -65.22 168.29 8.09 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.547 1.154 . . . . 0.0 110.974 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.436 ' HA ' ' HD3' ' A' ' 24' ' ' PRO . 18.0 Cg_endo -75.01 139.29 24.09 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.494 1.786 . . . . 0.0 110.978 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.479 ' O ' ' CB ' ' A' ' 77' ' ' GLN . 18.0 Cg_endo -75.17 136.04 19.55 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.579 1.831 . . . . 0.0 111.036 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.99 HG22 ' HA ' ' A' ' 76' ' ' SER . 2.2 p -139.62 -179.93 6.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.154 . . . . 0.0 110.336 -179.906 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.945 HD11 HD12 ' A' ' 28' ' ' LEU . 0.0 OUTLIER -135.6 134.09 51.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.524 1.14 . . . . 0.0 109.311 -179.961 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.769 ' HG3' HG23 ' A' ' 74' ' ' THR . 0.9 OUTLIER -113.79 112.22 23.05 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.606 1.191 . . . . 0.0 110.344 179.916 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.945 HD12 HD11 ' A' ' 26' ' ' ILE . 1.6 mt -110.75 106.07 15.15 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.561 1.163 . . . . 0.0 109.376 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.899 ' N ' HD13 ' A' ' 29' ' ' LEU . 0.0 OUTLIER -112.04 125.47 54.12 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.529 1.143 . . . . 0.0 109.193 -179.895 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.483 ' HB3' ' O ' ' A' ' 10' ' ' LYS . 84.0 m -93.62 160.22 14.87 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.652 1.22 . . . . 0.0 108.29 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.995 HD21 HD12 ' A' ' 12' ' ' LEU . 0.1 OUTLIER -122.47 101.84 7.73 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.38 1.05 . . . . 0.0 109.337 179.943 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 1.171 HG22 ' CE2' ' A' ' 35' ' ' TYR . 6.5 p -133.47 124.52 48.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 109.309 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.9 ' CB ' ' HA ' ' A' ' 68' ' ' SER . 26.8 p -153.08 -179.88 8.09 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 109.937 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.755 ' HA2' ' HB3' ' A' ' 66' ' ' LEU . . . 90.16 -40.24 3.04 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.479 1.112 . . . . 0.0 111.128 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 1.171 ' CE2' HG22 ' A' ' 32' ' ' VAL . 7.0 p90 -66.13 146.11 55.03 Favored 'General case' 0 C--N 1.328 -0.364 0 O-C-N 124.536 0.786 . . . . 0.0 110.925 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.777 ' O ' ' O ' ' A' ' 35' ' ' TYR . 0.2 OUTLIER 43.58 158.22 0.01 OUTLIER Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.537 1.148 . . . . 0.0 110.344 179.948 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.888 ' C ' ' HB2' ' A' ' 67' ' ' ALA . 18.1 Cg_endo -75.11 -12.29 21.3 Favored 'Trans proline' 0 C--N 1.362 1.284 0 O-C-N 124.428 1.751 . . . . 0.0 110.925 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.757 ' C ' ' HB1' ' A' ' 67' ' ' ALA . . . -121.89 -45.62 0.33 Allowed Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.593 1.183 . . . . 0.0 111.029 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.646 ' CB ' ' O ' ' A' ' 38' ' ' GLY . 1.0 OUTLIER 155.02 169.86 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 0.775 . . . . 0.0 110.435 179.979 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 1.068 HG23 ' CD1' ' A' ' 35' ' ' TYR . 0.3 OUTLIER -98.45 -147.95 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.49 1.119 . . . . 0.0 109.285 -179.959 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ASN . . . . . 0.598 ' N ' HG12 ' A' ' 40' ' ' ILE . 0.3 OUTLIER -97.98 132.86 43.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.607 1.192 . . . . 0.0 109.235 -179.967 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.855 HG21 ' HB3' ' A' ' 58' ' ' ALA . 6.8 mt -105.76 121.17 57.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.417 1.073 . . . . 0.0 109.376 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.526 ' C ' ' CD1' ' A' ' 44' ' ' TRP . 4.7 m -156.84 162.2 39.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.572 1.17 . . . . 0.0 110.418 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 1.077 ' CZ3' ' HB3' ' A' ' 88' ' ' CYS . 10.0 m95 -141.57 130.46 23.06 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.639 1.212 . . . . 0.0 107.973 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -91.95 112.09 23.89 Favored 'General case' 0 C--N 1.328 -0.363 0 O-C-N 124.519 1.137 . . . . 0.0 109.266 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.44 ' HG3' ' N ' ' A' ' 47' ' ' ASP . 1.2 tt0 -98.34 143.05 29.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 110.343 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.502 ' CB ' ' HB ' ' A' ' 85' ' ' THR . 0.1 OUTLIER -142.11 97.17 3.08 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.581 1.175 . . . . 0.0 109.413 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.437 ' HA3' ' CG ' ' A' ' 84' ' ' ARG . . . 139.66 44.02 0.07 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.451 1.094 . . . . 0.0 110.955 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 75.54 97.06 0.07 Allowed 'General case' 0 C--N 1.322 -0.602 0 O-C-N 124.406 0.709 . . . . 0.0 110.33 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.625 ' O ' HG13 ' A' ' 50' ' ' VAL . 5.7 p -83.39 103.58 10.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 109.195 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -84.84 150.35 25.07 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.523 1.14 . . . . 0.0 111.01 179.885 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -69.31 -3.03 12.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.537 1.148 . . . . 0.0 109.336 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.651 ' CG1' ' O ' ' A' ' 53' ' ' VAL . 0.9 OUTLIER -107.07 10.95 9.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.593 1.183 . . . . 0.0 109.286 179.973 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.464 ' HA ' ' O ' ' A' ' 74' ' ' THR . 25.8 m-20 -142.21 91.06 2.3 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.566 1.166 . . . . 0.0 109.304 -179.887 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 1.116 HD22 ' N ' ' A' ' 56' ' ' SER . 0.0 OUTLIER -137.28 162.26 34.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 0.0 109.41 179.944 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 56' ' ' SER . . . . . 1.116 ' N ' HD22 ' A' ' 55' ' ' LEU . 0.0 OUTLIER -128.76 133.09 47.99 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.514 1.134 . . . . 0.0 109.972 179.949 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.499 ' O ' ' N ' ' A' ' 72' ' ' GLU . 0.2 OUTLIER -133.11 156.6 47.13 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 110.48 179.951 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.855 ' HB3' HG21 ' A' ' 42' ' ' ILE . . . -128.5 151.39 49.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.457 1.098 . . . . 0.0 109.262 -179.848 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' SER . . . . . 0.599 ' O ' ' HA ' ' A' ' 69' ' ' THR . 0.4 OUTLIER -105.03 156.97 17.56 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.443 1.089 . . . . 0.0 109.993 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.595 ' HA ' ' OG1' ' A' ' 69' ' ' THR . 2.2 t -106.41 141.62 37.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.553 1.158 . . . . 0.0 110.331 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.793 ' OG1' ' O ' ' A' ' 68' ' ' SER . 0.0 OUTLIER -143.6 162.35 36.13 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.441 1.088 . . . . 0.0 110.433 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -98.43 129.21 45.05 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.56 1.162 . . . . 0.0 110.369 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -127.65 64.19 1.36 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.51 1.131 . . . . 0.0 110.351 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 73.86 -107.64 2.3 Favored Glycine 0 CA--C 1.531 1.077 0 O-C-N 124.428 1.08 . . . . 0.0 111.038 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -100.14 0.23 40.2 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.381 0.695 . . . . 0.0 110.33 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.755 ' HB3' ' HA2' ' A' ' 34' ' ' GLY . 5.3 mp -115.91 -175.82 2.81 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.557 1.161 . . . . 0.0 109.181 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.888 ' HB2' ' C ' ' A' ' 37' ' ' PRO . . . -131.63 124.06 29.13 Favored 'General case' 0 C--N 1.327 -0.371 0 O-C-N 124.53 1.144 . . . . 0.0 109.36 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.9 ' HA ' ' CB ' ' A' ' 33' ' ' SER . 47.6 t -108.5 117.63 34.66 Favored 'General case' 0 C--N 1.323 -0.564 0 O-C-N 124.529 1.143 . . . . 0.0 110.135 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.894 ' HB ' ' OH ' ' A' ' 35' ' ' TYR . 0.7 OUTLIER -117.57 125.04 50.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.632 1.208 . . . . 0.0 110.451 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.617 ' O ' ' HA ' ' A' ' 58' ' ' ALA . 2.3 tt0 -93.53 124.95 37.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.11 . . . . 0.0 110.247 -179.884 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.753 ' HA ' ' HB2' ' A' ' 58' ' ' ALA . 0.1 OUTLIER -97.13 143.67 27.72 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.463 1.102 . . . . 0.0 110.034 179.979 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.66 ' HA ' ' HA ' ' A' ' 29' ' ' LEU . 1.0 OUTLIER -136.88 155.83 49.26 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.569 1.168 . . . . 0.0 110.215 -179.962 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.991 ' HG ' HD11 ' A' ' 75' ' ' LEU . 13.3 tp -140.39 147.43 39.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.59 1.181 . . . . 0.0 109.287 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.863 ' H ' HD12 ' A' ' 73' ' ' LEU . 0.1 OUTLIER -148.01 120.71 8.63 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.128 . . . . 0.0 110.313 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.991 HD11 ' HG ' ' A' ' 73' ' ' LEU . 0.0 OUTLIER -141.82 167.05 23.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.603 1.189 . . . . 0.0 109.292 179.858 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.99 ' HA ' HG22 ' A' ' 25' ' ' THR . 41.0 t -87.8 141.13 28.83 Favored 'General case' 0 C--N 1.327 -0.408 0 O-C-N 124.433 1.083 . . . . 0.0 110.015 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' GLN . . . . . 0.479 ' CB ' ' O ' ' A' ' 24' ' ' PRO . 0.9 OUTLIER -59.53 -34.12 72.23 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.504 1.128 . . . . 0.0 110.373 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 15.5 tptt -54.14 -56.82 14.53 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.456 1.097 . . . . 0.0 109.257 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' HIS . . . . . 0.468 ' CB ' ' NH2' ' A' ' 84' ' ' ARG . 17.0 m80 -55.6 -34.97 65.34 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.412 1.07 . . . . 0.0 109.634 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' TRP . . . . . 0.918 ' CZ3' ' CZ ' ' A' ' 86' ' ' TYR . 25.2 t-105 -61.63 -41.24 97.21 Favored 'General case' 0 N--CA 1.451 -0.394 0 O-C-N 124.452 1.095 . . . . 0.0 108.06 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.531 ' HA ' ' CB ' ' A' ' 105' ' ' ALA . 9.3 tt -70.43 -32.41 69.99 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 109.36 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' SER . . . . . 0.551 ' O ' ' HB3' ' A' ' 83' ' ' ASP . 0.2 OUTLIER -77.42 8.01 4.72 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.586 1.179 . . . . 0.0 109.947 179.945 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 83' ' ' ASP . . . . . 0.613 ' CB ' ' HA ' ' A' ' 104' ' ' SER . 0.7 OUTLIER 68.42 146.21 0.05 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.504 1.127 . . . . 0.0 109.397 -179.971 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.468 ' NH2' ' CB ' ' A' ' 79' ' ' HIS . 1.0 OUTLIER -179.19 177.36 0.79 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.46 1.1 . . . . 0.0 110.272 -179.978 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.502 ' HB ' ' CB ' ' A' ' 47' ' ' ASP . 0.9 OUTLIER -135.41 110.48 8.87 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.527 1.142 . . . . 0.0 110.314 179.954 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.918 ' CZ ' ' CZ3' ' A' ' 80' ' ' TRP . 0.0 OUTLIER -112.67 121.82 45.87 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.518 1.136 . . . . 0.0 110.931 179.916 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 87' ' ' THR . . . . . 1.477 ' HA ' ' CB ' ' A' ' 100' ' ' SER . 6.1 m -139.15 138.36 36.91 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.54 1.15 . . . . 0.0 110.365 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' CYS . . . . . 1.077 ' HB3' ' CZ3' ' A' ' 44' ' ' TRP . 8.9 p -100.44 101.71 12.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.1 . . . . 0.0 108.307 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 89' ' ' GLN . . . . . 0.486 ' N ' ' O ' ' A' ' 43' ' ' THR . 27.5 tt0 -94.14 110.48 22.2 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.119 . . . . 0.0 110.322 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.948 HG11 HG21 ' A' ' 32' ' ' VAL . 0.3 OUTLIER -107.48 117.67 53.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 O-C-N 124.553 1.158 . . . . 0.0 109.344 -179.965 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 91' ' ' THR . . . . . 1.024 ' O ' ' HB ' ' A' ' 40' ' ' ILE . 7.0 m -100.1 154.15 18.65 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.398 1.061 . . . . 0.0 110.458 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' TYR . . . . . 0.796 ' CD2' HG21 ' A' ' 40' ' ' ILE . 0.7 OUTLIER -119.3 160.43 22.25 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.432 1.082 . . . . 0.0 111.098 179.905 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 6.4 pt20 -50.76 -23.69 2.89 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.463 1.102 . . . . 0.0 110.334 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -152.06 31.55 0.89 Allowed Glycine 0 CA--C 1.529 0.93 0 O-C-N 124.379 1.05 . . . . 0.0 111.023 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' HIS . . . . . 0.625 ' CE1' ' HB3' ' A' ' 6' ' ' PRO . 1.4 t-80 -157.73 179.46 9.2 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.445 0.732 . . . . 0.0 109.711 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.478 ' HA ' ' HA ' ' A' ' 91' ' ' THR . 8.8 t -160.14 152.85 21.23 Favored 'General case' 0 C--N 1.323 -0.573 0 O-C-N 124.453 1.096 . . . . 0.0 110.554 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 97' ' ' PHE . . . . . 0.43 ' HD2' ' HH ' ' A' ' 92' ' ' TYR . 1.4 m-85 -155.24 159.39 40.03 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.526 1.141 . . . . 0.0 110.967 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.461 ' HG3' ' CG ' ' A' ' 89' ' ' GLN . 1.7 tt0 -155.67 110.28 2.91 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.489 1.118 . . . . 0.0 110.257 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 99' ' ' ASP . . . . . 0.506 ' O ' ' SG ' ' A' ' 88' ' ' CYS . 5.0 m-20 -138.45 127.05 23.39 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.457 1.098 . . . . 0.0 109.307 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 100' ' ' SER . . . . . 1.477 ' CB ' ' HA ' ' A' ' 87' ' ' THR . 0.3 OUTLIER -169.61 -152.92 0.1 Allowed 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.5 1.125 . . . . 0.0 110.044 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 101' ' ' THR . . . . . 0.605 HG23 ' CD1' ' A' ' 86' ' ' TYR . 9.0 t -137.85 173.78 11.27 Favored 'General case' 0 C--N 1.323 -0.563 0 O-C-N 124.511 1.132 . . . . 0.0 110.495 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 13.4 pttt -169.01 134.1 1.56 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.558 1.161 . . . . 0.0 109.3 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 11.8 mttt -149.17 -169.56 3.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 109.359 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' SER . . . . . 0.613 ' HA ' ' CB ' ' A' ' 83' ' ' ASP . 8.3 t -147.95 16.45 1.09 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 110.057 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 105' ' ' ALA . . . . . 0.531 ' CB ' ' HA ' ' A' ' 81' ' ' LEU . . . . . . . . 0 C--N 1.326 -0.423 0 O-C-N 124.44 1.088 . . . . 0.0 109.321 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 12.6 p . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 109.972 -0.381 . . . . 0.0 109.972 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -165.94 171.06 13.04 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.574 1.171 . . . . 0.0 110.218 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.658 ' O ' ' CD1' ' A' ' 4' ' ' PHE . 23.1 t70 -163.77 160.75 22.84 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.428 1.08 . . . . 0.0 109.282 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.69 ' C ' ' CD1' ' A' ' 4' ' ' PHE . 0.0 OUTLIER 81.61 156.85 0.13 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 110.938 180.0 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.423 ' OG1' ' HD2' ' A' ' 6' ' ' PRO . 0.0 OUTLIER -91.19 155.44 44.57 Favored Pre-proline 0 C--N 1.327 -0.399 0 O-C-N 124.529 1.143 . . . . 0.0 110.369 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.423 ' HD2' ' OG1' ' A' ' 5' ' ' THR . 18.3 Cg_endo -74.91 113.61 3.83 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.508 1.794 . . . . 0.0 111.059 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.726 ' HA ' ' HB3' ' A' ' 35' ' ' TYR . 18.6 Cg_endo -74.89 153.08 42.1 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.364 1.718 . . . . 0.0 111.052 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.513 ' O ' ' HA ' ' A' ' 32' ' ' VAL . 0.0 OUTLIER -152.82 127.42 9.4 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.106 . . . . 0.0 110.389 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 1.055 HG11 ' CD1' ' A' ' 97' ' ' PHE . 4.4 p -131.95 141.92 44.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.531 1.144 . . . . 0.0 109.238 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.63 ' CD ' HD12 ' A' ' 31' ' ' LEU . 7.0 mtpt -139.15 166.63 24.03 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.54 1.15 . . . . 0.0 109.226 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.486 HD11 ' SG ' ' A' ' 88' ' ' CYS . 0.3 OUTLIER -124.66 122.14 63.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 O-C-N 124.438 1.086 . . . . 0.0 109.407 179.925 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 22.4 mt -122.03 128.35 51.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.563 1.164 . . . . 0.0 109.364 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -107.33 139.84 41.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.383 1.052 . . . . 0.0 110.345 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.507 ' HB2' ' CB ' ' A' ' 27' ' ' GLN . 75.7 m -133.44 76.53 1.67 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 0.0 110.015 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.476 ' O ' ' CG ' ' A' ' 23' ' ' PRO . 16.3 p -126.4 -59.88 1.28 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.475 1.11 . . . . 0.0 110.032 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 4.9 t -79.52 -56.47 4.29 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.641 1.213 . . . . 0.0 110.1 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -85.89 10.83 12.76 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.542 1.151 . . . . 0.0 109.266 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -128.75 73.6 0.45 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.55 1.157 . . . . 0.0 110.956 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 142.05 162.23 9.11 Favored Glycine 0 CA--C 1.53 0.989 0 N-CA-C 111.031 -0.828 . . . . 0.0 111.031 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -83.54 125.2 6.92 Favored Glycine 0 CA--C 1.53 1.004 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 8.2 m-70 66.18 -83.64 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 0.758 . . . . 0.0 109.547 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -157.64 116.03 1.9 Allowed Pre-proline 0 C--N 1.323 -0.548 0 O-C-N 124.486 1.117 . . . . 0.0 111.016 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.476 ' CG ' ' O ' ' A' ' 15' ' ' SER . 18.1 Cg_endo -74.93 141.45 26.87 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.553 1.818 . . . . 0.0 111.024 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.443 ' HD3' ' HA ' ' A' ' 23' ' ' PRO . 18.7 Cg_endo -75.08 3.6 5.51 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.655 1.871 . . . . 0.0 110.998 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.466 ' HB ' ' O ' ' A' ' 75' ' ' LEU . 76.5 p -137.29 -171.56 2.99 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 110.444 179.87 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.867 HD12 ' CZ3' ' A' ' 80' ' ' TRP . 0.2 OUTLIER -135.23 139.11 47.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.545 1.153 . . . . 0.0 109.229 -179.964 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.6 ' HA ' ' O ' ' A' ' 73' ' ' LEU . 24.8 mt-30 -120.71 86.47 2.58 Favored 'General case' 0 C--N 1.327 -0.4 0 O-C-N 124.414 1.071 . . . . 0.0 110.342 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.65 ' O ' ' HB3' ' A' ' 73' ' ' LEU . 0.8 OUTLIER -95.12 101.76 13.53 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.442 1.089 . . . . 0.0 109.408 179.92 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.682 ' HA ' ' HA ' ' A' ' 72' ' ' GLU . 8.5 mp -99.85 118.59 36.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.565 1.166 . . . . 0.0 109.321 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.548 ' CB ' ' HB2' ' A' ' 71' ' ' SER . 0.4 OUTLIER -92.15 127.9 37.8 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.406 1.066 . . . . 0.0 108.254 -179.965 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.851 ' C ' HD13 ' A' ' 31' ' ' LEU . 0.2 OUTLIER -94.94 119.85 34.16 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.12 . . . . 0.0 109.385 179.955 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 1.12 HG22 ' CE2' ' A' ' 35' ' ' TYR . 1.3 p -147.74 108.61 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.411 1.07 . . . . 0.0 109.285 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.912 ' CB ' ' HA ' ' A' ' 68' ' ' SER . 25.6 p -147.46 -178.45 6.24 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.365 1.041 . . . . 0.0 110.052 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.527 ' O ' ' HB3' ' A' ' 66' ' ' LEU . . . 81.91 -49.52 4.1 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.484 1.115 . . . . 0.0 111.063 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 1.12 ' CE2' HG22 ' A' ' 32' ' ' VAL . 4.0 p90 -62.1 146.93 49.04 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 0.753 . . . . 0.0 110.954 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.781 ' O ' ' HB3' ' A' ' 67' ' ' ALA . 3.7 m 50.58 138.07 0.01 OUTLIER Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.572 1.17 . . . . 0.0 110.338 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.1 -12.88 21.34 Favored 'Trans proline' 0 C--N 1.362 1.257 0 O-C-N 124.373 1.723 . . . . 0.0 110.971 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.659 ' O ' HG22 ' A' ' 39' ' ' THR . . . -124.39 4.65 8.8 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.484 1.115 . . . . 0.0 111.101 179.9 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.722 HG23 ' N ' ' A' ' 40' ' ' ILE . 0.7 OUTLIER 93.6 -166.39 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.452 0.736 . . . . 0.0 110.418 179.971 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.947 ' HB ' ' O ' ' A' ' 91' ' ' THR . 0.9 OUTLIER -135.01 -141.66 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.582 1.177 . . . . 0.0 109.359 179.938 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ASN . . . . . 0.8 ' C ' HD13 ' A' ' 42' ' ' ILE . 56.5 t30 -115.93 160.78 19.76 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.442 1.089 . . . . 0.0 109.232 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.8 HD13 ' C ' ' A' ' 41' ' ' ASN . 0.8 OUTLIER -114.06 136.45 50.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 O-C-N 124.51 1.131 . . . . 0.0 109.329 179.968 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.515 ' C ' ' CD1' ' A' ' 44' ' ' TRP . 1.1 m -155.6 151.52 27.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.564 1.165 . . . . 0.0 110.416 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 1.037 ' CZ3' ' HB3' ' A' ' 88' ' ' CYS . 20.9 m95 -144.82 130.55 19.07 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.024 -1.102 . . . . 0.0 108.024 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -105.68 117.75 34.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.438 1.086 . . . . 0.0 109.333 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.519 ' CD ' ' CZ ' ' A' ' 84' ' ' ARG . 1.0 OUTLIER -102.72 156.79 17.39 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.451 1.094 . . . . 0.0 110.255 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.572 ' CB ' ' HB ' ' A' ' 85' ' ' THR . 0.2 OUTLIER -150.25 102.49 3.08 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.529 1.143 . . . . 0.0 109.236 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.427 ' O ' ' CB ' ' A' ' 49' ' ' GLN . . . 150.36 58.75 0.01 OUTLIER Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.551 1.157 . . . . 0.0 110.998 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.443 ' O ' ' NH2' ' A' ' 84' ' ' ARG . 0.0 OUTLIER 80.26 102.72 0.06 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.388 0.699 . . . . 0.0 110.218 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.458 ' O ' HG13 ' A' ' 50' ' ' VAL . 8.0 p -80.3 43.55 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 O-C-N 124.548 1.155 . . . . 0.0 109.213 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' MET . . . . . 0.656 ' O ' HG22 ' A' ' 53' ' ' VAL . 0.0 OUTLIER -87.25 -174.67 4.97 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.473 1.108 . . . . 0.0 111.038 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -64.67 82.32 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.516 1.135 . . . . 0.0 109.402 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.656 HG22 ' O ' ' A' ' 51' ' ' MET . 3.1 m -111.44 -113.28 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 O-C-N 124.312 1.008 . . . . 0.0 109.296 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.845 ' HB3' ' O ' ' A' ' 74' ' ' THR . 0.2 OUTLIER -143.71 -172.84 3.81 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.568 1.168 . . . . 0.0 109.335 179.956 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 1.01 HD22 ' N ' ' A' ' 56' ' ' SER . 0.0 OUTLIER -154.08 179.48 8.89 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.641 1.213 . . . . 0.0 109.286 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 56' ' ' SER . . . . . 1.01 ' N ' HD22 ' A' ' 55' ' ' LEU . 0.1 OUTLIER -135.05 135.04 40.98 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.481 1.113 . . . . 0.0 109.981 -179.915 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -130.21 158.65 39.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.549 1.156 . . . . 0.0 110.437 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.788 ' HB3' ' CG2' ' A' ' 42' ' ' ILE . . . -132.76 151.85 51.9 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.117 . . . . 0.0 109.216 -179.896 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' SER . . . . . 0.529 ' O ' ' HA ' ' A' ' 69' ' ' THR . 0.6 OUTLIER -107.93 154.44 21.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 0.0 110.024 179.977 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.548 ' HA ' ' OG1' ' A' ' 69' ' ' THR . 1.5 t -105.0 141.64 36.22 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.557 1.161 . . . . 0.0 110.452 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.735 ' OG1' ' O ' ' A' ' 68' ' ' SER . 0.0 OUTLIER -142.4 159.19 42.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.406 1.066 . . . . 0.0 110.504 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 -95.86 130.47 42.8 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.458 1.099 . . . . 0.0 110.271 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.981 ' O ' HD12 ' A' ' 66' ' ' LEU . 7.7 mt-10 -129.53 64.23 1.5 Allowed 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.509 1.131 . . . . 0.0 110.258 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 73.39 -107.92 2.36 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.559 1.162 . . . . 0.0 110.996 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -99.81 0.32 41.33 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 0.779 . . . . 0.0 110.255 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.981 HD12 ' O ' ' A' ' 63' ' ' GLU . 0.0 OUTLIER -115.73 179.22 4.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.558 1.161 . . . . 0.0 109.331 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.781 ' HB3' ' O ' ' A' ' 36' ' ' THR . . . -129.53 118.98 22.93 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.582 1.176 . . . . 0.0 109.283 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.912 ' HA ' ' CB ' ' A' ' 33' ' ' SER . 23.0 t -102.82 115.29 30.31 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.54 1.15 . . . . 0.0 109.996 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.829 ' HB ' ' OH ' ' A' ' 35' ' ' TYR . 0.8 OUTLIER -116.37 119.63 36.27 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.49 1.119 . . . . 0.0 110.398 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.498 ' O ' ' HA ' ' A' ' 58' ' ' ALA . 0.7 OUTLIER -93.26 125.87 38.08 Favored 'General case' 0 C--N 1.323 -0.559 0 O-C-N 124.54 1.15 . . . . 0.0 110.271 -179.951 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.779 ' HA ' ' CB ' ' A' ' 58' ' ' ALA . 0.8 OUTLIER -106.15 141.71 37.05 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.559 1.162 . . . . 0.0 110.107 179.949 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.682 ' HA ' ' HA ' ' A' ' 29' ' ' LEU . 0.5 OUTLIER -133.86 150.09 51.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.364 1.04 . . . . 0.0 110.381 -179.914 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 1.009 HD12 ' N ' ' A' ' 74' ' ' THR . 1.3 tp -129.6 138.2 51.13 Favored 'General case' 0 C--N 1.323 -0.562 0 O-C-N 124.598 1.186 . . . . 0.0 109.41 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' THR . . . . . 1.009 ' N ' HD12 ' A' ' 73' ' ' LEU . 0.0 OUTLIER -137.55 117.08 12.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.449 1.093 . . . . 0.0 110.372 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.857 HD23 HG21 ' A' ' 26' ' ' ILE . 0.1 OUTLIER -145.44 158.02 43.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 109.278 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.508 ' O ' HD12 ' A' ' 75' ' ' LEU . 0.4 OUTLIER -84.97 141.38 30.38 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 109.973 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -60.12 -28.33 67.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.451 1.094 . . . . 0.0 110.258 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.48 -54.89 26.42 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.489 1.118 . . . . 0.0 109.376 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' HIS . . . . . 0.539 ' CE1' HG12 ' A' ' 53' ' ' VAL . 31.1 m-70 -58.24 -42.74 87.01 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.112 . . . . 0.0 109.585 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' TRP . . . . . 1.028 ' CZ3' ' CZ ' ' A' ' 86' ' ' TYR . 6.4 t-105 -60.63 -19.17 57.34 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.496 1.123 . . . . 0.0 108.044 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.425 ' C ' ' H ' ' A' ' 83' ' ' ASP . 0.1 OUTLIER -81.52 -43.55 18.61 Favored 'General case' 0 C--N 1.328 -0.355 0 O-C-N 124.428 1.08 . . . . 0.0 109.271 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 1.1 p -82.24 30.63 0.4 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.566 1.166 . . . . 0.0 110.039 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' ASP . . . . . 0.758 ' HB2' ' HB2' ' A' ' 105' ' ' ALA . 0.0 OUTLIER 60.72 149.59 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.539 1.149 . . . . 0.0 109.292 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.543 HH12 ' N ' ' A' ' 47' ' ' ASP . 0.0 OUTLIER -178.42 165.35 1.77 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.586 1.179 . . . . 0.0 110.171 -179.921 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.572 ' HB ' ' CB ' ' A' ' 47' ' ' ASP . 0.9 OUTLIER -129.98 118.15 21.18 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.54 1.15 . . . . 0.0 110.45 -179.97 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 1.028 ' CZ ' ' CZ3' ' A' ' 80' ' ' TRP . 0.0 OUTLIER -109.12 130.37 55.48 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.584 1.178 . . . . 0.0 110.963 -179.905 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 87' ' ' THR . . . . . 1.351 ' HA ' ' CB ' ' A' ' 100' ' ' SER . 1.8 m -145.23 123.97 12.59 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.531 1.144 . . . . 0.0 110.466 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' CYS . . . . . 1.037 ' HB3' ' CZ3' ' A' ' 44' ' ' TRP . 20.4 p -96.58 96.81 8.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 108.262 -179.869 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' GLN . . . . . 0.439 ' N ' ' O ' ' A' ' 43' ' ' THR . 33.9 tt0 -92.27 114.44 26.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.144 . . . . 0.0 110.316 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.938 HG11 HG21 ' A' ' 32' ' ' VAL . 3.1 t -103.5 133.81 46.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.448 1.092 . . . . 0.0 109.3 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.947 ' O ' ' HB ' ' A' ' 40' ' ' ILE . 1.2 m -107.89 163.86 12.76 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.563 1.164 . . . . 0.0 110.375 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 92' ' ' TYR . . . . . 0.809 ' CE1' HG12 ' A' ' 90' ' ' VAL . 2.1 m-85 -138.41 150.65 46.72 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.473 1.108 . . . . 0.0 111.043 179.862 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 5.8 pt20 -50.42 -21.63 1.54 Allowed 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.52 1.137 . . . . 0.0 110.354 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -154.28 36.44 0.7 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.44 1.088 . . . . 0.0 111.047 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' HIS . . . . . 0.559 ' CA ' ' HB2' ' A' ' 92' ' ' TYR . 2.2 t-80 -166.08 172.75 11.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 0.755 . . . . 0.0 109.677 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 13.6 t -160.73 154.78 22.86 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.455 1.097 . . . . 0.0 110.454 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' PHE . . . . . 1.055 ' CD1' HG11 ' A' ' 9' ' ' VAL . 24.4 t80 -169.94 164.54 9.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.441 1.088 . . . . 0.0 111.067 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.775 ' HG2' HG22 ' A' ' 87' ' ' THR . 41.8 tt0 -152.07 133.51 14.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.149 . . . . 0.0 110.397 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 99' ' ' ASP . . . . . 0.744 ' O ' ' SG ' ' A' ' 88' ' ' CYS . 0.1 OUTLIER -148.39 125.29 11.27 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.501 1.126 . . . . 0.0 109.279 -179.97 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 100' ' ' SER . . . . . 1.351 ' CB ' ' HA ' ' A' ' 87' ' ' THR . 0.3 OUTLIER -167.4 -155.27 0.18 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.54 1.15 . . . . 0.0 110.058 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 101' ' ' THR . . . . . 0.704 HG23 ' CD1' ' A' ' 86' ' ' TYR . 4.5 t -143.08 173.96 11.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.368 1.042 . . . . 0.0 110.441 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.73 119.33 8.53 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.438 1.086 . . . . 0.0 109.317 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 103' ' ' LYS . . . . . 0.488 ' HB3' ' H ' ' A' ' 104' ' ' SER . 0.0 OUTLIER -166.85 -116.54 0.01 OUTLIER 'General case' 0 N--CA 1.452 -0.347 0 O-C-N 124.509 1.131 . . . . 0.0 109.294 -179.953 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 104' ' ' SER . . . . . 0.785 ' HA ' ' CD1' ' A' ' 80' ' ' TRP . 1.8 t 66.97 17.82 10.54 Favored 'General case' 0 C--N 1.323 -0.564 0 O-C-N 124.543 1.152 . . . . 0.0 110.012 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 105' ' ' ALA . . . . . 0.758 ' HB2' ' HB2' ' A' ' 83' ' ' ASP . . . . . . . . 0 C--N 1.326 -0.441 0 O-C-N 124.468 1.105 . . . . 0.0 109.256 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 27.7 m . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 110.032 -0.358 . . . . 0.0 110.032 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 177.89 141.31 0.09 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.566 1.166 . . . . 0.0 110.277 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -155.66 134.41 11.91 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.525 1.14 . . . . 0.0 109.263 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER 60.8 141.45 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.476 1.11 . . . . 0.0 110.897 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.779 HG21 ' HG ' ' A' ' 66' ' ' LEU . 0.1 OUTLIER -85.97 169.32 15.88 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.496 1.122 . . . . 0.0 110.389 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.527 ' HD2' HG22 ' A' ' 5' ' ' THR . 18.6 Cg_endo -74.95 113.26 3.75 Favored 'Trans proline' 0 C--N 1.359 1.103 0 O-C-N 124.466 1.772 . . . . 0.0 111.094 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.667 ' HA ' ' HB3' ' A' ' 35' ' ' TYR . 18.6 Cg_endo -74.95 158.35 42.44 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.417 1.746 . . . . 0.0 110.999 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.52 HG22 ' O ' ' A' ' 33' ' ' SER . 2.8 t -161.15 139.1 9.42 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.357 1.036 . . . . 0.0 110.459 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.603 HG11 ' CD1' ' A' ' 97' ' ' PHE . 5.0 p -135.95 143.45 36.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.547 1.154 . . . . 0.0 109.27 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.57 ' N ' ' O ' ' A' ' 31' ' ' LEU . 0.1 OUTLIER -135.96 165.53 25.45 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.456 1.098 . . . . 0.0 109.296 -179.966 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.51 ' CG1' ' O ' ' A' ' 99' ' ' ASP . 0.1 OUTLIER -135.86 120.95 27.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.587 1.179 . . . . 0.0 109.287 -179.871 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 1.009 HD11 HD12 ' A' ' 29' ' ' LEU . 0.0 OUTLIER -129.36 136.47 50.03 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.577 1.173 . . . . 0.0 109.185 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.631 ' HB3' HD23 ' A' ' 28' ' ' LEU . 0.0 OUTLIER -103.56 146.46 28.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.372 1.045 . . . . 0.0 110.272 179.932 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.435 ' HB3' ' CB ' ' A' ' 27' ' ' GLN . 0.1 OUTLIER -132.8 76.19 1.67 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.625 1.203 . . . . 0.0 109.97 -179.965 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 6.5 p -123.77 -41.86 2.22 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.582 1.176 . . . . 0.0 109.958 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.416 ' O ' ' C ' ' A' ' 17' ' ' ASP . 0.1 OUTLIER 77.17 166.6 0.24 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.458 1.099 . . . . 0.0 109.998 -179.941 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.416 ' C ' ' O ' ' A' ' 16' ' ' SER . 0.0 OUTLIER -39.05 157.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.583 1.177 . . . . 0.0 109.372 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 136.81 116.22 1.51 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.438 1.086 . . . . 0.0 111.023 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -90.05 38.89 3.15 Favored Glycine 0 CA--C 1.531 1.056 0 N-CA-C 110.951 -0.86 . . . . 0.0 110.951 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 99.64 -49.8 1.17 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.582 0.813 . . . . 0.0 111.14 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 9.4 p80 -85.17 66.18 9.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.613 0.831 . . . . 0.0 109.6 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.629 ' CB ' ' HD3' ' A' ' 23' ' ' PRO . 0.1 OUTLIER -177.27 -55.81 0.0 OUTLIER Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 0.0 110.991 -179.939 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.629 ' HD3' ' CB ' ' A' ' 22' ' ' PHE . 18.6 Cg_endo -74.94 121.72 6.78 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.57 1.826 . . . . 0.0 111.024 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 -43.25 0.41 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.513 1.796 . . . . 0.0 111.045 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.888 HG22 ' HA ' ' A' ' 76' ' ' SER . 6.0 p -137.07 -167.29 2.07 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 0.0 110.396 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.875 HD13 HD11 ' A' ' 28' ' ' LEU . 0.1 OUTLIER -138.1 135.14 44.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 109.231 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.51 ' HA ' ' O ' ' A' ' 73' ' ' LEU . 6.9 mt-30 -117.68 83.61 2.02 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.571 1.169 . . . . 0.0 110.396 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.875 HD11 HD13 ' A' ' 26' ' ' ILE . 1.5 mt -99.04 110.75 23.3 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 109.288 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 1.009 HD12 HD11 ' A' ' 12' ' ' LEU . 0.0 OUTLIER -114.62 154.47 28.3 Favored 'General case' 0 C--N 1.323 -0.56 0 O-C-N 124.51 1.131 . . . . 0.0 109.34 179.955 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.502 ' HB2' ' HB3' ' A' ' 71' ' ' SER . 0.1 OUTLIER -108.97 159.39 16.86 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.503 1.127 . . . . 0.0 108.37 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.593 HD13 HD12 ' A' ' 12' ' ' LEU . 6.6 mp -123.03 90.05 3.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.422 1.076 . . . . 0.0 109.302 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 1.095 HG22 ' CE2' ' A' ' 35' ' ' TYR . 0.9 OUTLIER -124.1 114.14 39.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.511 1.132 . . . . 0.0 109.338 179.969 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.872 ' CB ' ' HA ' ' A' ' 68' ' ' SER . 16.9 p -154.09 -179.79 8.21 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.553 1.158 . . . . 0.0 110.072 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.709 ' HA2' ' HB3' ' A' ' 66' ' ' LEU . . . 81.85 -46.16 3.43 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.555 1.159 . . . . 0.0 110.99 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 1.095 ' CE2' HG22 ' A' ' 32' ' ' VAL . 7.3 p90 -65.73 152.5 44.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.415 0.715 . . . . 0.0 111.001 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.756 ' O ' ' CB ' ' A' ' 67' ' ' ALA . 4.4 m 47.26 138.21 0.0 OUTLIER Pre-proline 0 C--N 1.327 -0.392 0 O-C-N 124.44 1.087 . . . . 0.0 110.368 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.425 ' C ' ' HB2' ' A' ' 67' ' ' ALA . 18.0 Cg_endo -74.99 -12.94 21.55 Favored 'Trans proline' 0 C--N 1.362 1.251 0 O-C-N 124.453 1.765 . . . . 0.0 111.013 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.676 ' O ' HG22 ' A' ' 39' ' ' THR . . . -124.87 2.73 8.56 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.546 1.154 . . . . 0.0 111.039 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.71 HG23 ' N ' ' A' ' 40' ' ' ILE . 0.7 OUTLIER 93.53 -166.72 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.542 0.789 . . . . 0.0 110.417 179.949 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.948 ' HB ' ' O ' ' A' ' 91' ' ' THR . 0.8 OUTLIER -133.72 -141.21 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 109.319 179.921 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ASN . . . . . 0.412 ' HB2' ' HB ' ' A' ' 91' ' ' THR . 2.1 m120 -108.42 155.48 20.52 Favored 'General case' 0 C--N 1.322 -0.59 0 O-C-N 124.573 1.171 . . . . 0.0 109.34 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.889 HG21 ' HB3' ' A' ' 58' ' ' ALA . 6.6 mt -120.07 130.26 74.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.495 1.122 . . . . 0.0 109.268 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.467 ' OG1' ' C ' ' A' ' 42' ' ' ILE . 3.5 m -159.09 161.74 36.46 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.421 1.076 . . . . 0.0 110.505 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 1.088 ' CZ3' ' HB3' ' A' ' 88' ' ' CYS . 21.5 m95 -140.66 129.54 23.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.57 1.169 . . . . 0.0 108.007 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 7.7 tp -91.0 104.55 17.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.547 1.154 . . . . 0.0 109.278 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.465 ' HA ' ' O ' ' A' ' 85' ' ' THR . 1.0 OUTLIER -100.51 152.93 19.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.629 1.206 . . . . 0.0 110.349 179.977 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.492 ' CB ' ' HB ' ' A' ' 85' ' ' THR . 0.4 OUTLIER -150.25 96.74 2.45 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.463 1.102 . . . . 0.0 109.315 -179.908 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.439 ' O ' ' HB3' ' A' ' 49' ' ' GLN . . . 117.88 59.68 0.29 Allowed Glycine 0 CA--C 1.531 1.092 0 O-C-N 124.482 1.114 . . . . 0.0 110.949 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.498 ' HB3' ' NH1' ' A' ' 84' ' ' ARG . 3.6 pp0? 175.57 104.89 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.6 0.824 . . . . 0.0 110.264 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.746 HG13 ' N ' ' A' ' 51' ' ' MET . 1.4 p -62.41 -154.16 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 O-C-N 124.559 1.162 . . . . 0.0 109.325 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' MET . . . . . 0.746 ' N ' HG13 ' A' ' 50' ' ' VAL . 0.2 OUTLIER -68.32 54.6 0.08 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.568 1.168 . . . . 0.0 110.955 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.628 ' OD2' ' CD2' ' A' ' 79' ' ' HIS . 7.9 t0 -66.82 -156.53 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.593 1.183 . . . . 0.0 109.238 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.606 ' CG1' ' O ' ' A' ' 53' ' ' VAL . 0.9 OUTLIER -117.6 7.36 7.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.135 . . . . 0.0 109.393 179.972 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.497 ' HB2' ' CB ' ' A' ' 75' ' ' LEU . 3.5 p30 -95.12 115.24 27.17 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.545 1.153 . . . . 0.0 109.291 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 1.182 HD22 ' N ' ' A' ' 56' ' ' SER . 0.0 OUTLIER -136.58 160.88 37.46 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.47 1.106 . . . . 0.0 109.375 179.944 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 56' ' ' SER . . . . . 1.182 ' N ' HD22 ' A' ' 55' ' ' LEU . 0.1 OUTLIER -126.14 128.73 47.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.14 . . . . 0.0 109.984 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.628 ' OG1' HD21 ' A' ' 55' ' ' LEU . 0.3 OUTLIER -133.16 159.07 41.23 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.442 1.089 . . . . 0.0 110.362 179.969 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.889 ' HB3' HG21 ' A' ' 42' ' ' ILE . . . -134.6 150.96 50.75 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.541 1.151 . . . . 0.0 109.327 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' SER . . . . . 0.64 ' O ' ' HA ' ' A' ' 69' ' ' THR . 0.1 OUTLIER -107.96 148.02 30.24 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.554 1.159 . . . . 0.0 109.998 -179.94 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.403 ' HA ' ' OG1' ' A' ' 69' ' ' THR . 2.2 t -105.16 143.49 33.27 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.539 1.149 . . . . 0.0 110.501 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.741 ' OG1' ' O ' ' A' ' 68' ' ' SER . 0.8 OUTLIER -138.36 158.58 44.0 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.523 1.139 . . . . 0.0 110.357 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -99.68 125.56 45.56 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.417 1.073 . . . . 0.0 110.276 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -128.1 66.0 1.37 Allowed 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.357 1.036 . . . . 0.0 110.295 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 74.41 -108.08 2.43 Favored Glycine 0 CA--C 1.529 0.932 0 O-C-N 124.5 1.125 . . . . 0.0 111.047 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -100.84 0.64 38.99 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.508 0.77 . . . . 0.0 110.32 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.779 ' HG ' HG21 ' A' ' 5' ' ' THR . 5.9 mp -112.5 176.54 4.97 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.53 1.144 . . . . 0.0 109.296 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.756 ' CB ' ' O ' ' A' ' 36' ' ' THR . . . -134.95 121.59 20.72 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.501 1.125 . . . . 0.0 109.169 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.872 ' HA ' ' CB ' ' A' ' 33' ' ' SER . 26.7 t -102.68 120.12 40.02 Favored 'General case' 0 C--N 1.327 -0.375 0 O-C-N 124.413 1.07 . . . . 0.0 110.006 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.65 ' HB ' ' OH ' ' A' ' 35' ' ' TYR . 0.9 OUTLIER -123.89 115.72 21.74 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.355 1.034 . . . . 0.0 110.348 -179.944 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.532 ' O ' ' HA ' ' A' ' 58' ' ' ALA . 1.2 pt20 -97.8 122.89 41.43 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.387 1.055 . . . . 0.0 110.227 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.885 ' HA ' ' CB ' ' A' ' 58' ' ' ALA . 1.1 t -100.4 154.03 18.84 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.468 1.105 . . . . 0.0 110.025 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.734 ' HA ' ' HA ' ' A' ' 29' ' ' LEU . 1.1 mt-10 -146.45 156.3 43.19 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.492 1.12 . . . . 0.0 110.264 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.777 HD13 ' CB ' ' A' ' 56' ' ' SER . 25.0 tp -135.77 141.26 44.78 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.437 1.086 . . . . 0.0 109.245 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.569 ' H ' HD12 ' A' ' 73' ' ' LEU . 0.0 OUTLIER -138.16 115.9 11.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.433 1.083 . . . . 0.0 110.436 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.816 HD12 ' O ' ' A' ' 76' ' ' SER . 0.4 OUTLIER -141.45 157.6 44.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.254 -179.977 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.888 ' HA ' HG22 ' A' ' 25' ' ' THR . 0.2 OUTLIER -84.95 143.66 28.83 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.53 1.143 . . . . 0.0 109.984 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 77' ' ' GLN . . . . . 0.412 ' CD ' ' O ' ' A' ' 23' ' ' PRO . 19.0 pt20 -57.16 -31.7 65.64 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.499 1.124 . . . . 0.0 110.246 -179.875 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.411 ' N ' ' HG3' ' A' ' 77' ' ' GLN . 0.0 OUTLIER -52.79 -57.51 9.94 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.571 1.17 . . . . 0.0 109.323 -179.981 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 79' ' ' HIS . . . . . 0.628 ' CD2' ' OD2' ' A' ' 52' ' ' ASP . 0.5 OUTLIER -56.7 -37.86 71.5 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 109.583 179.971 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 80' ' ' TRP . . . . . 0.922 ' CZ3' ' CZ ' ' A' ' 86' ' ' TYR . 8.9 t-105 -62.47 -36.98 84.18 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 107.962 -1.125 . . . . 0.0 107.962 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -69.84 -32.8 71.4 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.579 1.174 . . . . 0.0 109.251 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' SER . . . . . 0.46 ' O ' ' HB3' ' A' ' 83' ' ' ASP . 1.4 t -76.25 4.7 8.22 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.461 1.1 . . . . 0.0 110.017 -179.908 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' ASP . . . . . 0.534 ' CB ' ' HA ' ' A' ' 104' ' ' SER . 0.2 OUTLIER 67.38 143.67 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.398 0 O-C-N 124.534 1.146 . . . . 0.0 109.314 -179.968 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.595 ' NH2' HD13 ' A' ' 75' ' ' LEU . 0.0 OUTLIER 179.33 -171.25 0.14 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 110.28 179.921 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.492 ' HB ' ' CB ' ' A' ' 47' ' ' ASP . 0.7 OUTLIER -134.05 129.72 36.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 0.0 110.463 179.968 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.922 ' CZ ' ' CZ3' ' A' ' 80' ' ' TRP . 0.0 OUTLIER -127.44 116.44 20.44 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.485 1.116 . . . . 0.0 111.092 179.929 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 87' ' ' THR . . . . . 1.448 ' HA ' ' CB ' ' A' ' 100' ' ' SER . 8.6 m -139.4 137.71 35.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.669 1.231 . . . . 0.0 110.408 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' CYS . . . . . 1.088 ' HB3' ' CZ3' ' A' ' 44' ' ' TRP . 22.2 p -97.21 100.24 11.71 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.487 1.117 . . . . 0.0 108.332 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' GLN . . . . . 0.441 ' CB ' ' HG3' ' A' ' 98' ' ' GLU . 6.4 tt0 -93.04 116.94 29.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.149 . . . . 0.0 110.333 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 1.061 HG11 HG21 ' A' ' 32' ' ' VAL . 2.7 t -105.03 136.51 38.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.385 1.053 . . . . 0.0 109.283 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.948 ' O ' ' HB ' ' A' ' 40' ' ' ILE . 1.0 OUTLIER -110.76 165.7 11.62 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.616 1.197 . . . . 0.0 110.326 -179.948 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 92' ' ' TYR . . . . . 0.858 ' CE1' HG12 ' A' ' 90' ' ' VAL . 8.8 m-85 -140.85 156.61 46.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.45 1.094 . . . . 0.0 110.993 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -47.82 -24.79 1.07 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.487 1.117 . . . . 0.0 110.319 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -156.78 35.83 0.57 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.401 1.063 . . . . 0.0 110.973 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' HIS . . . . . 0.509 ' CA ' ' HB2' ' A' ' 92' ' ' TYR . 1.2 t-80 -161.71 178.52 8.92 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.553 0.796 . . . . 0.0 109.591 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.415 ' O ' ' CD2' ' A' ' 97' ' ' PHE . 6.0 t -159.22 167.09 29.91 Favored 'General case' 0 C--N 1.323 -0.576 0 O-C-N 124.519 1.137 . . . . 0.0 110.448 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 97' ' ' PHE . . . . . 0.603 ' CD1' HG11 ' A' ' 9' ' ' VAL . 4.4 m-85 -162.48 161.85 27.24 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.538 1.149 . . . . 0.0 111.033 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.441 ' HG3' ' CB ' ' A' ' 89' ' ' GLN . 7.7 tt0 -159.2 115.04 2.56 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.393 1.058 . . . . 0.0 110.289 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 99' ' ' ASP . . . . . 0.567 ' O ' ' SG ' ' A' ' 88' ' ' CYS . 1.0 OUTLIER -144.17 125.12 14.34 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.414 1.071 . . . . 0.0 109.357 -179.973 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 100' ' ' SER . . . . . 1.448 ' CB ' ' HA ' ' A' ' 87' ' ' THR . 0.3 OUTLIER -173.13 -151.32 0.05 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.471 1.107 . . . . 0.0 109.984 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 101' ' ' THR . . . . . 0.8 HG23 ' CD1' ' A' ' 86' ' ' TYR . 3.8 t -138.0 -179.78 5.98 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 110.406 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.449 ' N ' ' OG1' ' A' ' 101' ' ' THR . 0.0 OUTLIER -166.41 140.96 4.3 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.586 1.179 . . . . 0.0 109.306 180.0 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 103' ' ' LYS . . . . . 0.52 ' HD2' ' CE2' ' A' ' 80' ' ' TRP . 0.0 OUTLIER -150.43 167.16 27.94 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.52 1.137 . . . . 0.0 109.363 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 104' ' ' SER . . . . . 0.534 ' HA ' ' CB ' ' A' ' 83' ' ' ASP . 6.3 t -139.76 41.82 2.0 Allowed 'General case' 0 C--N 1.323 -0.574 0 O-C-N 124.584 1.178 . . . . 0.0 110.022 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 105' ' ' ALA . . . . . 0.455 ' H ' ' CG ' ' A' ' 103' ' ' LYS . . . . . . . . 0 C--N 1.324 -0.539 0 O-C-N 124.589 1.18 . . . . 0.0 109.38 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.35 135.13 53.96 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.444 1.09 . . . . 0.0 110.289 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -165.09 168.67 17.06 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.457 1.098 . . . . 0.0 109.336 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.563 ' CZ ' ' HD3' ' A' ' 7' ' ' PRO . 0.0 OUTLIER 63.14 130.95 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.537 1.148 . . . . 0.0 111.016 179.953 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.534 HG21 ' O ' ' A' ' 34' ' ' GLY . 0.5 OUTLIER -86.99 166.06 28.49 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.521 1.138 . . . . 0.0 110.416 179.979 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.472 ' HD2' HG23 ' A' ' 5' ' ' THR . 18.0 Cg_endo -74.94 117.3 4.87 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.547 1.814 . . . . 0.0 111.042 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.563 ' HD3' ' CZ ' ' A' ' 4' ' ' PHE . 18.2 Cg_endo -75.08 157.18 42.56 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.567 1.825 . . . . 0.0 110.922 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.595 ' O ' ' HA ' ' A' ' 32' ' ' VAL . 0.0 OUTLIER -148.87 123.3 9.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.536 1.148 . . . . 0.0 110.426 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.679 HG23 ' HB ' ' A' ' 32' ' ' VAL . 3.3 p -128.91 139.7 51.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.52 1.138 . . . . 0.0 109.252 -179.876 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.554 ' N ' ' O ' ' A' ' 31' ' ' LEU . 8.8 tptt -136.89 149.93 47.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 109.268 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.649 HD13 ' SG ' ' A' ' 88' ' ' CYS . 0.5 OUTLIER -128.09 118.71 49.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.426 1.079 . . . . 0.0 109.268 -179.939 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.842 HD13 ' N ' ' A' ' 12' ' ' LEU . 0.0 OUTLIER -128.38 148.09 50.68 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.468 1.105 . . . . 0.0 109.341 -179.944 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -108.97 146.29 34.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.125 . . . . 0.0 110.384 179.86 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.484 ' HB3' ' CB ' ' A' ' 27' ' ' GLN . 6.5 t -132.52 79.13 1.84 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.462 1.101 . . . . 0.0 109.918 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 42.7 t -114.29 -54.49 2.58 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.521 1.138 . . . . 0.0 109.971 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.416 ' O ' ' C ' ' A' ' 17' ' ' ASP . 18.9 p -76.09 -59.87 2.57 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.57 1.169 . . . . 0.0 109.977 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.416 ' C ' ' O ' ' A' ' 16' ' ' SER . 35.3 t70 -39.23 157.14 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 109.248 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 120.85 58.63 0.23 Allowed Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.488 1.117 . . . . 0.0 110.99 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 44.38 -100.34 0.02 OUTLIER Glycine 0 CA--C 1.529 0.941 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -137.59 144.45 15.86 Favored Glycine 0 CA--C 1.531 1.073 0 N-CA-C 110.994 -0.843 . . . . 0.0 110.994 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 70.28 145.68 0.06 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.627 0.839 . . . . 0.0 109.561 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 36.2 p90 -165.87 149.48 6.98 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.543 1.152 . . . . 0.0 110.991 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.89 159.43 41.73 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.562 1.822 . . . . 0.0 111.033 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.97 68.58 5.71 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.484 1.781 . . . . 0.0 111.035 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.446 ' HB ' ' O ' ' A' ' 75' ' ' LEU . 82.4 p -144.97 -168.55 2.96 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.556 1.16 . . . . 0.0 110.365 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.78 HD12 ' CE3' ' A' ' 80' ' ' TRP . 0.4 OUTLIER -143.51 137.44 25.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.533 1.145 . . . . 0.0 109.305 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.499 ' HA ' ' O ' ' A' ' 73' ' ' LEU . 23.1 mt-30 -115.69 84.92 2.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.378 1.049 . . . . 0.0 110.355 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.893 ' HB2' HD22 ' A' ' 73' ' ' LEU . 1.3 mt -92.62 104.51 16.8 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 109.354 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.716 ' O ' HD22 ' A' ' 12' ' ' LEU . 8.6 mp -104.35 132.71 50.3 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 109.346 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.525 ' CB ' ' HB2' ' A' ' 71' ' ' SER . 0.1 OUTLIER -106.99 116.57 32.16 Favored 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.507 1.129 . . . . 0.0 108.26 -179.96 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.944 ' O ' HD13 ' A' ' 31' ' ' LEU . 0.2 OUTLIER -92.08 113.0 25.15 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.556 1.16 . . . . 0.0 109.295 179.93 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 1.167 HG22 ' CE2' ' A' ' 35' ' ' TYR . 3.7 p -142.6 114.13 3.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.513 1.133 . . . . 0.0 109.265 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.934 ' CB ' ' HA ' ' A' ' 68' ' ' SER . 24.3 p -148.5 -175.94 5.12 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.599 1.187 . . . . 0.0 109.973 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.534 ' O ' HG21 ' A' ' 5' ' ' THR . . . 80.37 -47.65 3.47 Favored Glycine 0 CA--C 1.529 0.923 0 O-C-N 124.352 1.033 . . . . 0.0 111.061 -179.895 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 1.167 ' CE2' HG22 ' A' ' 32' ' ' VAL . 7.4 p90 -60.63 144.93 50.76 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.504 0.767 . . . . 0.0 111.123 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.813 ' O ' ' HB3' ' A' ' 67' ' ' ALA . 7.7 m 48.64 138.34 0.0 OUTLIER Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.42 1.075 . . . . 0.0 110.395 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.405 ' C ' ' HB2' ' A' ' 67' ' ' ALA . 17.9 Cg_endo -75.08 -9.59 20.73 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.656 1.871 . . . . 0.0 111.018 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.686 ' O ' HG22 ' A' ' 39' ' ' THR . . . -124.07 3.55 9.08 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.393 1.058 . . . . 0.0 111.108 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.686 HG22 ' O ' ' A' ' 38' ' ' GLY . 0.8 OUTLIER 95.41 -167.91 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.39 0 O-C-N 124.456 0.739 . . . . 0.0 110.398 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 1.077 HG21 ' CD2' ' A' ' 92' ' ' TYR . 2.0 pt -132.9 -143.11 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.544 1.152 . . . . 0.0 109.226 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ASN . . . . . 0.4 ' HB2' ' HB ' ' A' ' 91' ' ' THR . 8.0 m-80 -111.9 150.19 30.81 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.512 1.132 . . . . 0.0 109.295 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.874 HG21 ' HB3' ' A' ' 58' ' ' ALA . 4.7 mt -115.23 123.27 70.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 109.403 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.531 ' C ' ' CD1' ' A' ' 44' ' ' TRP . 2.6 m -148.98 160.98 42.81 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.582 1.176 . . . . 0.0 110.276 -179.915 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 1.112 ' CZ3' ' HB3' ' A' ' 88' ' ' CYS . 18.9 m95 -145.27 131.34 19.33 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.475 1.109 . . . . 0.0 108.027 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 14.4 tp -94.56 103.7 15.65 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.468 1.105 . . . . 0.0 109.268 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.997 ' OE1' HG23 ' A' ' 50' ' ' VAL . 52.4 tt0 -100.5 86.59 3.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.113 . . . . 0.0 110.341 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.56 ' CB ' ' HB ' ' A' ' 85' ' ' THR . 0.4 OUTLIER -84.33 86.44 7.26 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.399 1.062 . . . . 0.0 109.332 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.415 ' O ' ' HD2' ' A' ' 84' ' ' ARG . . . 166.91 40.14 0.02 OUTLIER Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.424 1.078 . . . . 0.0 110.972 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 65.35 96.81 0.05 OUTLIER 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.53 0.782 . . . . 0.0 110.302 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.997 HG23 ' OE1' ' A' ' 46' ' ' GLU . 8.2 p -85.9 40.7 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.578 1.174 . . . . 0.0 109.325 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -88.57 -20.04 25.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 111.001 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -64.2 -157.33 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.623 1.202 . . . . 0.0 109.311 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.683 ' CG1' ' O ' ' A' ' 53' ' ' VAL . 0.9 OUTLIER -118.05 14.37 7.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.534 1.146 . . . . 0.0 109.241 179.961 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.542 ' HB2' ' CB ' ' A' ' 75' ' ' LEU . 2.7 p30 -91.77 114.99 27.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.567 1.167 . . . . 0.0 109.238 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 1.12 HD22 ' N ' ' A' ' 56' ' ' SER . 0.0 OUTLIER -139.06 161.84 36.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 109.279 179.883 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 56' ' ' SER . . . . . 1.12 ' N ' HD22 ' A' ' 55' ' ' LEU . 1.4 p -128.21 129.56 46.64 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.444 1.09 . . . . 0.0 109.944 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -130.94 159.42 37.51 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 0.0 110.377 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.874 ' HB3' HG21 ' A' ' 42' ' ' ILE . . . -130.95 152.19 50.54 Favored 'General case' 0 C--N 1.327 -0.403 0 O-C-N 124.424 1.077 . . . . 0.0 109.301 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' SER . . . . . 0.589 ' N ' ' O ' ' A' ' 70' ' ' GLN . 0.1 OUTLIER -105.8 163.11 12.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 0.0 110.001 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.624 ' CG2' HG21 ' A' ' 39' ' ' THR . 1.4 m -108.65 141.83 40.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 110.43 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.789 ' OG1' ' O ' ' A' ' 68' ' ' SER . 0.0 OUTLIER -142.84 159.26 42.57 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.601 1.188 . . . . 0.0 110.49 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -102.77 130.78 49.85 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.101 . . . . 0.0 110.331 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -127.82 60.28 1.45 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.618 1.199 . . . . 0.0 110.342 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 73.58 -105.12 1.72 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.36 1.038 . . . . 0.0 111.036 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -100.1 -1.28 37.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 0.755 . . . . 0.0 110.247 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.502 ' HB3' ' O ' ' A' ' 34' ' ' GLY . 0.1 OUTLIER -111.57 176.31 5.07 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.515 1.134 . . . . 0.0 109.309 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.813 ' HB3' ' O ' ' A' ' 36' ' ' THR . . . -127.91 119.52 25.74 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.501 1.125 . . . . 0.0 109.291 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.934 ' HA ' ' CB ' ' A' ' 33' ' ' SER . 41.9 t -105.5 121.58 44.24 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.51 1.131 . . . . 0.0 109.904 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.927 ' HB ' ' OH ' ' A' ' 35' ' ' TYR . 0.7 OUTLIER -124.05 118.81 27.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.12 . . . . 0.0 110.324 179.91 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.589 ' O ' ' N ' ' A' ' 59' ' ' SER . 5.5 mt-30 -91.12 129.55 37.11 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.583 1.177 . . . . 0.0 110.27 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.73 ' HA ' ' CB ' ' A' ' 58' ' ' ALA . 0.9 OUTLIER -110.9 144.52 39.83 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.383 1.052 . . . . 0.0 109.972 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.637 ' HA ' ' HA ' ' A' ' 29' ' ' LEU . 1.1 mt-10 -136.33 156.16 49.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.422 1.076 . . . . 0.0 110.324 -179.908 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.893 HD22 ' HB2' ' A' ' 28' ' ' LEU . 8.0 tt -138.12 137.53 37.79 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 0.0 109.326 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -136.47 114.63 11.54 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.459 1.099 . . . . 0.0 110.394 -179.888 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 1.037 HD13 ' CE1' ' A' ' 79' ' ' HIS . 0.8 OUTLIER -141.64 158.39 43.88 Favored 'General case' 0 C--N 1.323 -0.56 0 O-C-N 124.575 1.172 . . . . 0.0 109.337 179.913 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.761 ' O ' HD12 ' A' ' 75' ' ' LEU . 0.5 OUTLIER -84.22 139.28 32.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.428 1.08 . . . . 0.0 109.983 -179.911 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 17.4 tt0 -61.3 -33.75 74.09 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.511 1.132 . . . . 0.0 110.271 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -52.55 -56.96 11.62 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.458 1.099 . . . . 0.0 109.337 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' HIS . . . . . 1.037 ' CE1' HD13 ' A' ' 75' ' ' LEU . 0.0 OUTLIER -54.27 -42.9 70.49 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.454 1.096 . . . . 0.0 109.476 -179.967 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 80' ' ' TRP . . . . . 0.867 ' CE3' ' CZ ' ' A' ' 86' ' ' TYR . 8.5 t-105 -53.0 -35.51 59.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.567 1.167 . . . . 0.0 107.984 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.455 ' C ' ' H ' ' A' ' 83' ' ' ASP . 0.7 OUTLIER -67.45 -37.31 82.79 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.094 . . . . 0.0 109.321 -179.952 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 82' ' ' SER . . . . . 0.423 ' O ' ' HB2' ' A' ' 83' ' ' ASP . 28.1 t -79.34 22.11 0.45 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.581 1.176 . . . . 0.0 109.945 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' ASP . . . . . 0.479 ' OD1' ' OG ' ' A' ' 104' ' ' SER . 2.2 m-20 62.92 149.3 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.382 1.051 . . . . 0.0 109.287 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.566 ' CB ' ' NE2' ' A' ' 79' ' ' HIS . 0.0 OUTLIER 179.7 160.88 0.84 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.615 1.197 . . . . 0.0 110.35 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.56 ' HB ' ' CB ' ' A' ' 47' ' ' ASP . 1.2 m -121.38 101.02 7.36 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.445 1.091 . . . . 0.0 110.406 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.867 ' CZ ' ' CE3' ' A' ' 80' ' ' TRP . 0.0 OUTLIER -103.82 120.35 40.8 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.483 1.114 . . . . 0.0 110.99 -179.932 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 87' ' ' THR . . . . . 1.405 ' HA ' ' CB ' ' A' ' 100' ' ' SER . 2.2 m -144.87 133.66 22.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 110.342 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' CYS . . . . . 1.112 ' HB3' ' CZ3' ' A' ' 44' ' ' TRP . 6.4 p -95.8 99.47 11.29 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.56 1.162 . . . . 0.0 108.319 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 4.8 tt0 -92.56 107.72 19.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 110.304 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 1.035 HG11 HG21 ' A' ' 32' ' ' VAL . 0.5 OUTLIER -100.0 122.36 51.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 O-C-N 124.518 1.136 . . . . 0.0 109.215 -179.951 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.994 ' O ' ' HB ' ' A' ' 40' ' ' ILE . 1.0 OUTLIER -101.29 164.46 11.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.562 1.164 . . . . 0.0 110.359 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 92' ' ' TYR . . . . . 1.077 ' CD2' HG21 ' A' ' 40' ' ' ILE . 1.8 m-85 -134.16 154.24 51.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.41 1.069 . . . . 0.0 110.99 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -50.72 -22.47 2.11 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.585 1.178 . . . . 0.0 110.247 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -152.26 34.35 0.84 Allowed Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.495 1.122 . . . . 0.0 111.026 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' HIS . . . . . 0.523 ' CA ' ' HB2' ' A' ' 92' ' ' TYR . 1.7 t-160 -165.08 176.18 8.77 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.568 0.805 . . . . 0.0 109.654 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 14.6 t -159.16 154.67 25.85 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.521 1.138 . . . . 0.0 110.471 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' PHE . . . . . 0.431 ' CD1' HG11 ' A' ' 9' ' ' VAL . 0.2 OUTLIER -163.68 160.72 23.04 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.544 1.153 . . . . 0.0 110.962 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.645 ' HG2' HG22 ' A' ' 87' ' ' THR . 28.1 tt0 -157.15 133.82 10.02 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.111 . . . . 0.0 110.208 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 99' ' ' ASP . . . . . 0.719 ' O ' ' SG ' ' A' ' 88' ' ' CYS . 46.5 m-20 -154.96 127.63 8.02 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.443 1.089 . . . . 0.0 109.418 179.893 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 100' ' ' SER . . . . . 1.405 ' CB ' ' HA ' ' A' ' 87' ' ' THR . 1.1 t -172.41 -151.14 0.06 Allowed 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.471 1.107 . . . . 0.0 109.889 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 101' ' ' THR . . . . . 0.771 HG23 ' CD1' ' A' ' 86' ' ' TYR . 5.0 t -138.53 174.47 10.5 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.433 1.083 . . . . 0.0 110.394 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -164.72 116.6 1.23 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.703 1.252 . . . . 0.0 109.314 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 2.8 tttt -165.11 -146.81 0.09 Allowed 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.506 1.129 . . . . 0.0 109.351 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' SER . . . . . 0.619 ' HA ' ' O ' ' A' ' 80' ' ' TRP . 5.9 t -154.47 10.35 0.36 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.536 1.147 . . . . 0.0 110.02 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 105' ' ' ALA . . . . . 0.562 ' HB2' ' O ' ' A' ' 104' ' ' SER . . . . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.441 1.088 . . . . 0.0 109.289 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 1.6 m . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 109.937 -0.394 . . . . 0.0 109.937 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 3.2 ttm-85 -165.14 -177.97 4.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.573 1.171 . . . . 0.0 110.252 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.457 ' O ' ' CB ' ' A' ' 4' ' ' PHE . 19.2 t70 -156.62 163.47 39.29 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.632 1.207 . . . . 0.0 109.23 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.457 ' CB ' ' O ' ' A' ' 3' ' ' ASP . 1.1 t80 72.5 151.67 0.11 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.507 1.13 . . . . 0.0 110.978 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.662 HG21 HD23 ' A' ' 66' ' ' LEU . 0.5 OUTLIER -87.7 161.86 43.54 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.453 1.095 . . . . 0.0 110.348 -179.849 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.455 ' HD2' ' OG1' ' A' ' 5' ' ' THR . 17.9 Cg_endo -75.08 110.7 3.16 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.502 1.791 . . . . 0.0 110.917 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.724 ' HA ' ' HB3' ' A' ' 35' ' ' TYR . 17.9 Cg_endo -75.05 161.59 38.37 Favored 'Trans proline' 0 C--N 1.359 1.087 0 O-C-N 124.601 1.842 . . . . 0.0 110.962 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.631 ' O ' ' HA ' ' A' ' 32' ' ' VAL . 0.0 OUTLIER -153.88 126.4 8.08 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 0.0 110.346 -179.949 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.755 HG11 ' CG ' ' A' ' 97' ' ' PHE . 4.3 p -132.94 142.26 42.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 O-C-N 124.443 1.09 . . . . 0.0 109.161 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.544 ' N ' ' O ' ' A' ' 31' ' ' LEU . 2.8 mttt -142.12 166.33 25.01 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.612 1.195 . . . . 0.0 109.311 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.551 ' CG1' ' O ' ' A' ' 99' ' ' ASP . 0.2 OUTLIER -130.28 120.35 48.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 109.244 -179.972 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.973 HD12 HD13 ' A' ' 31' ' ' LEU . 57.4 mt -124.3 130.82 53.18 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.111 . . . . 0.0 109.399 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.477 ' HB3' ' CD2' ' A' ' 28' ' ' LEU . 0.0 OUTLIER -107.49 141.24 39.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.451 1.094 . . . . 0.0 110.285 -179.952 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.462 ' HB3' ' CB ' ' A' ' 27' ' ' GLN . 0.1 OUTLIER -132.5 72.7 1.5 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.609 1.193 . . . . 0.0 109.965 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 3.1 t -126.15 -58.68 1.36 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.486 1.116 . . . . 0.0 109.937 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.4 ' O ' ' O ' ' A' ' 17' ' ' ASP . 5.4 m 61.83 168.34 0.11 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.456 1.098 . . . . 0.0 110.009 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.4 ' O ' ' O ' ' A' ' 16' ' ' SER . 0.0 OUTLIER -40.0 158.79 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.469 1.105 . . . . 0.0 109.415 179.894 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -42.15 145.22 0.83 Allowed Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.563 1.165 . . . . 0.0 111.013 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 104.44 -77.67 0.27 Allowed Glycine 0 CA--C 1.531 1.045 0 N-CA-C 110.927 -0.869 . . . . 0.0 110.927 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 72.62 -59.05 1.65 Allowed Glycine 0 CA--C 1.53 0.972 0 N-CA-C 110.924 -0.87 . . . . 0.0 110.924 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -160.45 -46.93 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.386 0.698 . . . . 0.0 109.568 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.601 ' CB ' ' HD3' ' A' ' 23' ' ' PRO . 0.2 OUTLIER -177.37 -54.41 0.0 OUTLIER Pre-proline 0 C--N 1.327 -0.411 0 O-C-N 124.459 1.099 . . . . 0.0 110.966 179.961 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.601 ' HD3' ' CB ' ' A' ' 22' ' ' PHE . 18.2 Cg_endo -75.1 118.2 5.16 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.466 1.771 . . . . 0.0 111.027 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.75 72.76 4.38 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.629 1.858 . . . . 0.0 110.998 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.71 HG22 ' HA ' ' A' ' 76' ' ' SER . 1.1 p -137.31 171.79 13.96 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.478 1.111 . . . . 0.0 110.493 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 1.04 ' CG2' HD23 ' A' ' 75' ' ' LEU . 2.4 tt -109.8 133.25 55.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 O-C-N 124.454 1.096 . . . . 0.0 109.353 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.493 ' HA ' ' O ' ' A' ' 73' ' ' LEU . 5.7 mt-30 -115.05 77.94 1.12 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 110.31 -179.911 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.614 HD12 HD23 ' A' ' 73' ' ' LEU . 0.5 OUTLIER -96.76 109.3 21.99 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.444 1.09 . . . . 0.0 109.325 -179.938 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.803 ' HA ' ' HA ' ' A' ' 72' ' ' GLU . 0.4 OUTLIER -112.87 131.35 55.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 109.261 -179.926 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.509 ' SG ' ' O ' ' A' ' 10' ' ' LYS . 0.1 OUTLIER -90.87 150.47 21.52 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.125 . . . . 0.0 108.351 179.844 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.973 HD13 HD12 ' A' ' 12' ' ' LEU . 4.2 mp -114.45 96.57 5.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.551 1.157 . . . . 0.0 109.343 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 1.13 HG22 ' CE2' ' A' ' 35' ' ' TYR . 1.3 p -128.63 108.85 18.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.263 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.859 ' CB ' ' HA ' ' A' ' 68' ' ' SER . 6.4 p -148.66 178.99 8.17 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.462 1.101 . . . . 0.0 110.047 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.654 ' HA2' ' HB3' ' A' ' 66' ' ' LEU . . . 81.42 -46.14 3.37 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.513 1.133 . . . . 0.0 111.032 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 1.13 ' CE2' HG22 ' A' ' 32' ' ' VAL . 4.4 p90 -63.07 148.92 46.43 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.577 0.81 . . . . 0.0 111.036 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.9 ' O ' ' HB3' ' A' ' 67' ' ' ALA . 5.8 m 48.03 135.46 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.551 1.157 . . . . 0.0 110.426 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.411 ' C ' ' HB2' ' A' ' 67' ' ' ALA . 18.2 Cg_endo -75.18 -8.43 19.85 Favored 'Trans proline' 0 C--N 1.362 1.242 0 O-C-N 124.455 1.766 . . . . 0.0 110.948 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.597 ' O ' ' CB ' ' A' ' 39' ' ' THR . . . -127.24 6.48 7.2 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.539 1.15 . . . . 0.0 110.993 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.782 HG23 ' N ' ' A' ' 40' ' ' ILE . 0.5 OUTLIER 90.01 -167.97 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.552 0.795 . . . . 0.0 110.424 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.907 ' HB ' ' O ' ' A' ' 91' ' ' THR . 1.1 pt -135.26 -139.83 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.59 1.182 . . . . 0.0 109.328 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ASN . . . . . 0.692 ' O ' HD13 ' A' ' 42' ' ' ILE . 2.2 m-20 -109.4 159.05 17.33 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.429 1.08 . . . . 0.0 109.314 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 1.096 HD11 HG21 ' A' ' 69' ' ' THR . 13.6 mm -125.69 126.59 70.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.689 1.243 . . . . 0.0 109.281 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.48 ' C ' ' CD1' ' A' ' 44' ' ' TRP . 10.1 m -158.8 161.38 36.94 Favored 'General case' 0 C--N 1.323 -0.556 0 O-C-N 124.557 1.161 . . . . 0.0 110.408 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 1.026 ' CZ3' ' HB3' ' A' ' 88' ' ' CYS . 16.4 m95 -140.82 129.42 22.76 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 108.011 -1.107 . . . . 0.0 108.011 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -82.34 97.29 8.25 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.589 1.181 . . . . 0.0 109.255 -179.886 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.475 ' HA ' ' O ' ' A' ' 85' ' ' THR . 5.2 tm-20 -97.67 125.27 42.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.381 1.05 . . . . 0.0 110.288 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.528 ' CB ' ' HB ' ' A' ' 85' ' ' THR . 0.2 OUTLIER -135.43 89.01 2.46 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.585 1.178 . . . . 0.0 109.293 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.494 ' O ' ' NH1' ' A' ' 84' ' ' ARG . . . 141.92 39.68 0.07 OUTLIER Glycine 0 CA--C 1.531 1.076 0 O-C-N 124.475 1.11 . . . . 0.0 110.968 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.483 ' CB ' ' O ' ' A' ' 48' ' ' GLY . 8.1 pt20 161.06 108.23 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.63 0.841 . . . . 0.0 110.24 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.752 HG13 ' N ' ' A' ' 51' ' ' MET . 1.4 p -60.85 -153.89 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.393 1.058 . . . . 0.0 109.351 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' MET . . . . . 0.752 ' N ' HG13 ' A' ' 50' ' ' VAL . 0.0 OUTLIER -66.76 54.75 0.04 OUTLIER 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.512 1.132 . . . . 0.0 111.051 179.951 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.48 ' N ' ' O ' ' A' ' 50' ' ' VAL . 1.0 OUTLIER -68.66 -146.38 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.571 1.169 . . . . 0.0 109.267 -179.973 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.863 ' O ' HG12 ' A' ' 53' ' ' VAL . 12.8 t -109.9 35.19 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.55 1.156 . . . . 0.0 109.318 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.48 ' HB3' ' HB2' ' A' ' 75' ' ' LEU . 9.9 m-20 -138.53 112.31 8.37 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.545 1.153 . . . . 0.0 109.355 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 1.163 HD22 ' N ' ' A' ' 56' ' ' SER . 0.0 OUTLIER -139.73 161.11 38.34 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.612 1.195 . . . . 0.0 109.271 -179.894 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 56' ' ' SER . . . . . 1.163 ' N ' HD22 ' A' ' 55' ' ' LEU . 0.0 OUTLIER -123.79 132.49 53.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.538 1.149 . . . . 0.0 109.985 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.435 ' O ' ' N ' ' A' ' 72' ' ' GLU . 0.3 OUTLIER -134.91 158.36 44.48 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.492 1.12 . . . . 0.0 110.362 -179.883 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.868 ' HB3' HG21 ' A' ' 42' ' ' ILE . . . -130.88 151.35 51.4 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.439 1.087 . . . . 0.0 109.257 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' SER . . . . . 0.544 ' O ' ' HA ' ' A' ' 69' ' ' THR . 0.3 OUTLIER -105.14 154.96 19.49 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.434 1.084 . . . . 0.0 110.04 179.93 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.583 ' CG2' HG21 ' A' ' 39' ' ' THR . 1.2 m -106.49 142.3 36.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 110.348 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.722 ' OG1' ' O ' ' A' ' 68' ' ' SER . 0.2 OUTLIER -142.73 156.4 45.01 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.569 1.168 . . . . 0.0 110.362 -179.864 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 11.2 tt0 -100.35 128.24 46.46 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.481 1.113 . . . . 0.0 110.331 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -126.13 62.21 1.26 Allowed 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.494 1.121 . . . . 0.0 110.101 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 74.5 -105.5 1.87 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.447 1.092 . . . . 0.0 110.95 179.852 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -101.21 0.28 37.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 0.782 . . . . 0.0 110.309 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.662 HD23 HG21 ' A' ' 5' ' ' THR . 6.6 mt -111.93 177.88 4.5 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.576 1.172 . . . . 0.0 109.373 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.9 ' HB3' ' O ' ' A' ' 36' ' ' THR . . . -132.14 118.49 19.66 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.593 1.183 . . . . 0.0 109.252 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.859 ' HA ' ' CB ' ' A' ' 33' ' ' SER . 48.5 t -102.72 122.93 45.45 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 109.992 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' THR . . . . . 1.096 HG21 HD11 ' A' ' 42' ' ' ILE . 0.9 OUTLIER -126.9 120.36 29.01 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.503 1.127 . . . . 0.0 110.341 179.962 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.576 ' O ' ' HA ' ' A' ' 58' ' ' ALA . 1.2 tt0 -98.69 124.29 43.42 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.457 1.098 . . . . 0.0 110.261 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.796 ' HA ' ' CB ' ' A' ' 58' ' ' ALA . 1.2 t -102.57 148.54 25.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.629 1.206 . . . . 0.0 110.01 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.803 ' HA ' ' HA ' ' A' ' 29' ' ' LEU . 51.7 tt0 -138.89 161.2 37.87 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.522 1.139 . . . . 0.0 110.303 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.846 HD12 ' H ' ' A' ' 74' ' ' THR . 3.4 tp -140.68 139.01 34.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 0.0 109.232 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.846 ' H ' HD12 ' A' ' 73' ' ' LEU . 0.0 OUTLIER -135.99 114.33 11.62 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.487 1.117 . . . . 0.0 110.298 -179.915 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 1.04 HD23 ' CG2' ' A' ' 26' ' ' ILE . 0.1 OUTLIER -140.17 163.98 31.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.122 . . . . 0.0 109.245 179.965 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.71 ' HA ' HG22 ' A' ' 25' ' ' THR . 0.4 OUTLIER -86.18 144.16 27.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 110.0 -179.965 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 7.2 tp60 -62.14 -44.71 96.03 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.608 1.192 . . . . 0.0 110.358 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 46.1 tttt -51.88 -47.21 64.62 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.405 1.066 . . . . 0.0 109.234 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' HIS . . . . . 0.52 ' O ' ' NE ' ' A' ' 84' ' ' ARG . 58.3 m80 -56.0 -42.71 76.82 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.106 . . . . 0.0 109.63 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' TRP . . . . . 0.867 ' CZ3' ' CD1' ' A' ' 26' ' ' ILE . 6.9 t-105 -59.01 -31.5 68.87 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -62.63 -39.93 95.4 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.461 1.1 . . . . 0.0 109.311 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' SER . . . . . 0.457 ' HB3' HH21 ' A' ' 84' ' ' ARG . 3.1 m -72.05 -1.39 14.57 Favored 'General case' 0 C--N 1.327 -0.403 0 O-C-N 124.444 1.09 . . . . 0.0 110.017 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' ASP . . . . . 0.629 ' CA ' ' HB2' ' A' ' 104' ' ' SER . 0.0 OUTLIER 66.63 145.44 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 0.0 109.267 -179.97 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.689 ' HG3' ' CE2' ' A' ' 86' ' ' TYR . 0.0 OUTLIER -172.6 -173.87 1.08 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.524 1.14 . . . . 0.0 110.222 -179.899 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.528 ' HB ' ' CB ' ' A' ' 47' ' ' ASP . 2.8 m -127.45 97.16 4.78 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.575 1.172 . . . . 0.0 110.447 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.814 ' CD1' HG23 ' A' ' 101' ' ' THR . 0.1 OUTLIER -108.03 102.33 11.51 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 110.988 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 87' ' ' THR . . . . . 1.433 ' HA ' ' CB ' ' A' ' 100' ' ' SER . 1.8 m -127.59 144.67 51.05 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.554 1.159 . . . . 0.0 110.433 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' CYS . . . . . 1.026 ' HB3' ' CZ3' ' A' ' 44' ' ' TRP . 29.8 p -95.15 102.24 14.04 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.524 1.14 . . . . 0.0 108.239 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' GLN . . . . . 0.515 ' H ' ' HA ' ' A' ' 44' ' ' TRP . 0.6 OUTLIER -94.6 108.7 20.66 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.558 1.162 . . . . 0.0 110.284 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 1.054 HG11 HG21 ' A' ' 32' ' ' VAL . 3.0 t -98.62 136.99 27.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.431 1.082 . . . . 0.0 109.278 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.907 ' O ' ' HB ' ' A' ' 40' ' ' ILE . 0.9 OUTLIER -110.08 169.63 8.6 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.42 1.075 . . . . 0.0 110.439 179.966 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 92' ' ' TYR . . . . . 0.824 ' CD2' HG21 ' A' ' 40' ' ' ILE . 14.7 m-85 -144.68 157.13 44.32 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.387 1.054 . . . . 0.0 110.949 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -46.83 -26.09 0.89 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.546 1.154 . . . . 0.0 110.408 179.86 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -157.09 35.8 0.56 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.484 1.115 . . . . 0.0 111.063 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' HIS . . . . . 0.501 ' CA ' ' HB2' ' A' ' 92' ' ' TYR . 6.7 t60 -158.16 173.94 15.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 0.777 . . . . 0.0 109.57 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 5.7 t -160.37 165.01 31.97 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.433 1.083 . . . . 0.0 110.338 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' PHE . . . . . 0.755 ' CG ' HG11 ' A' ' 9' ' ' VAL . 8.5 t80 -176.32 161.11 2.22 Favored 'General case' 0 N--CA 1.451 -0.406 0 O-C-N 124.447 1.092 . . . . 0.0 111.007 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.51 ' HG2' HG22 ' A' ' 87' ' ' THR . 29.6 tt0 -157.2 134.94 10.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 110.381 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 99' ' ' ASP . . . . . 0.554 ' HB2' ' CZ ' ' A' ' 97' ' ' PHE . 0.5 OUTLIER -156.76 129.66 7.78 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.492 1.12 . . . . 0.0 109.244 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 100' ' ' SER . . . . . 1.433 ' CB ' ' HA ' ' A' ' 87' ' ' THR . 0.6 OUTLIER -174.49 -146.03 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.517 1.136 . . . . 0.0 109.929 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 101' ' ' THR . . . . . 0.814 HG23 ' CD1' ' A' ' 86' ' ' TYR . 2.1 t -135.62 -175.59 4.0 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.529 1.143 . . . . 0.0 110.453 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.539 ' HA ' ' CE1' ' A' ' 86' ' ' TYR . 0.0 OUTLIER -166.45 -159.21 0.36 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.309 1.006 . . . . 0.0 109.266 -179.967 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 103' ' ' LYS . . . . . 0.847 ' HG2' ' N ' ' A' ' 104' ' ' SER . 0.0 OUTLIER 60.61 -171.34 0.14 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.556 1.16 . . . . 0.0 109.246 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 104' ' ' SER . . . . . 0.847 ' N ' ' HG2' ' A' ' 103' ' ' LYS . 33.5 t -120.2 53.5 1.08 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 109.935 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 105' ' ' ALA . . . . . 0.754 ' HB2' ' HD3' ' A' ' 103' ' ' LYS . . . . . . . . 0 C--N 1.327 -0.412 0 O-C-N 124.404 1.065 . . . . 0.0 109.379 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 20.3 p . . . . . 0 N--CA 1.452 -0.354 0 N-CA-C 109.988 -0.375 . . . . 0.0 109.988 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -76.26 91.97 3.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.39 1.056 . . . . 0.0 110.294 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.432 ' O ' ' HB3' ' A' ' 4' ' ' PHE . 8.9 t70 -154.27 177.37 11.2 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.495 1.122 . . . . 0.0 109.302 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.558 ' CE1' ' HD3' ' A' ' 7' ' ' PRO . 0.0 OUTLIER 66.08 129.81 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.524 1.14 . . . . 0.0 110.943 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.588 HG21 ' O ' ' A' ' 34' ' ' GLY . 0.5 OUTLIER -87.32 169.45 14.43 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 110.388 179.959 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.528 ' HD2' ' OG1' ' A' ' 5' ' ' THR . 18.1 Cg_endo -75.07 117.53 4.93 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.5 1.79 . . . . 0.0 111.004 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.665 ' HA ' ' HB3' ' A' ' 35' ' ' TYR . 18.5 Cg_endo -74.98 151.41 39.57 Favored 'Trans proline' 0 C--N 1.361 1.218 0 O-C-N 124.39 1.732 . . . . 0.0 110.982 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.567 HG22 ' O ' ' A' ' 33' ' ' SER . 1.8 t -147.81 139.03 23.54 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.57 1.169 . . . . 0.0 110.458 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.744 HG23 ' HB ' ' A' ' 32' ' ' VAL . 3.1 p -134.05 147.5 30.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 0.0 109.285 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.517 ' N ' ' O ' ' A' ' 31' ' ' LEU . 12.3 mtpt -134.76 164.88 26.55 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.53 1.144 . . . . 0.0 109.282 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.503 HG13 ' N ' ' A' ' 100' ' ' SER . 0.4 OUTLIER -131.41 122.63 51.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.542 1.151 . . . . 0.0 109.218 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.928 HD12 HD13 ' A' ' 31' ' ' LEU . 40.6 mt -127.68 129.3 46.92 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.529 1.143 . . . . 0.0 109.294 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -105.23 138.82 40.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.542 1.151 . . . . 0.0 110.253 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.473 ' HB3' ' CB ' ' A' ' 27' ' ' GLN . 0.1 OUTLIER -132.91 73.76 1.54 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.538 1.149 . . . . 0.0 110.017 179.901 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 80.9 p -125.09 118.78 26.9 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.441 1.088 . . . . 0.0 110.029 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.423 ' O ' ' C ' ' A' ' 17' ' ' ASP . 25.0 p -163.69 141.98 7.67 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.495 1.122 . . . . 0.0 110.045 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.423 ' C ' ' O ' ' A' ' 16' ' ' SER . 0.0 OUTLIER -38.6 150.7 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 0.0 109.294 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 160.09 136.84 2.1 Favored Glycine 0 CA--C 1.529 0.914 0 O-C-N 124.41 1.069 . . . . 0.0 111.124 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 122.12 -145.05 16.53 Favored Glycine 0 CA--C 1.531 1.059 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 177.48 -74.65 0.07 OUTLIER Glycine 0 CA--C 1.531 1.092 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 2.8 t-160 -76.27 -62.73 1.52 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.486 0.756 . . . . 0.0 109.469 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.507 ' CG ' ' HD2' ' A' ' 23' ' ' PRO . 0.7 OUTLIER -66.07 152.93 92.94 Favored Pre-proline 0 C--N 1.324 -0.537 0 O-C-N 124.505 1.128 . . . . 0.0 110.947 -179.974 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.507 ' HD2' ' CG ' ' A' ' 22' ' ' PHE . 18.3 Cg_endo -74.94 152.22 40.81 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.471 1.774 . . . . 0.0 110.984 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.42 ' HD3' ' HA ' ' A' ' 23' ' ' PRO . 18.2 Cg_endo -74.97 164.62 33.02 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.481 1.779 . . . . 0.0 111.018 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.498 ' OG1' ' N ' ' A' ' 26' ' ' ILE . 0.2 OUTLIER -142.55 174.56 10.52 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.385 1.053 . . . . 0.0 110.396 -179.978 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.958 HD12 ' CE3' ' A' ' 80' ' ' TRP . 0.6 OUTLIER -107.82 135.75 45.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.578 1.174 . . . . 0.0 109.329 179.905 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.515 ' HA ' ' O ' ' A' ' 73' ' ' LEU . 2.1 mt-30 -118.28 78.99 1.31 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 110.346 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.903 HD12 HD22 ' A' ' 73' ' ' LEU . 1.5 mt -96.98 107.95 20.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.277 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.684 HD12 ' HB2' ' A' ' 12' ' ' LEU . 0.4 OUTLIER -115.12 129.63 56.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.14 . . . . 0.0 109.313 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.537 ' O ' HD12 ' A' ' 31' ' ' LEU . 87.9 m -91.22 167.89 12.0 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.656 1.223 . . . . 0.0 108.281 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.928 HD13 HD12 ' A' ' 12' ' ' LEU . 4.9 mp -127.64 94.88 4.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.13 . . . . 0.0 109.311 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 1.085 HG22 ' CE2' ' A' ' 35' ' ' TYR . 2.5 p -122.13 119.5 58.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.604 1.19 . . . . 0.0 109.3 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.927 ' CB ' ' HA ' ' A' ' 68' ' ' SER . 12.6 p -156.04 -177.33 6.5 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.555 1.16 . . . . 0.0 109.978 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.703 ' CA ' HD23 ' A' ' 66' ' ' LEU . . . 80.56 -45.91 3.18 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.411 1.069 . . . . 0.0 110.934 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 1.085 ' CE2' HG22 ' A' ' 32' ' ' VAL . 4.2 p90 -63.4 152.6 37.72 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.629 0.84 . . . . 0.0 111.028 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.915 ' O ' ' HB3' ' A' ' 67' ' ' ALA . 4.0 m 50.65 144.31 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 110.389 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.614 ' HD2' HG22 ' A' ' 36' ' ' THR . 18.5 Cg_endo -74.89 -13.23 21.72 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.488 1.783 . . . . 0.0 111.077 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.556 ' O ' ' CB ' ' A' ' 39' ' ' THR . . . -123.95 -52.08 0.2 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.56 1.162 . . . . 0.0 110.993 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.727 ' OG1' HG23 ' A' ' 60' ' ' THR . 0.9 OUTLIER 162.12 173.06 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.56 0 O-C-N 124.567 0.804 . . . . 0.0 110.424 -179.956 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.903 ' HB ' ' O ' ' A' ' 91' ' ' THR . 1.3 pt -117.05 -139.51 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 O-C-N 124.465 1.103 . . . . 0.0 109.245 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ASN . . . . . 0.679 ' CB ' HG22 ' A' ' 91' ' ' THR . 10.1 t-20 -113.66 152.31 30.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.585 1.178 . . . . 0.0 109.242 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.886 HG21 ' CB ' ' A' ' 58' ' ' ALA . 3.6 mt -122.24 118.51 55.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.1 . . . . 0.0 109.338 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.501 ' C ' ' CD1' ' A' ' 44' ' ' TRP . 3.2 m -149.25 161.41 42.07 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.453 1.095 . . . . 0.0 110.488 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 1.025 ' CZ3' ' HB3' ' A' ' 88' ' ' CYS . 13.2 m95 -141.55 130.27 22.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.571 1.169 . . . . 0.0 108.016 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -100.54 118.21 36.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.552 1.157 . . . . 0.0 109.27 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -99.51 155.85 17.35 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.527 1.142 . . . . 0.0 110.378 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.489 ' HB3' ' CG2' ' A' ' 85' ' ' THR . 0.3 OUTLIER -149.7 101.44 3.07 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.463 1.102 . . . . 0.0 109.301 -179.906 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.479 ' O ' ' NH1' ' A' ' 84' ' ' ARG . . . 155.32 41.63 0.02 OUTLIER Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.483 1.114 . . . . 0.0 110.9 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.45 ' C ' ' O ' ' A' ' 48' ' ' GLY . 1.7 mt-30 35.42 56.06 0.85 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.557 0.798 . . . . 0.0 110.269 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 4.5 p -87.41 132.11 33.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.461 1.101 . . . . 0.0 109.28 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' MET . . . . . 0.457 ' O ' HG22 ' A' ' 53' ' ' VAL . 0.7 OUTLIER -69.71 152.8 44.24 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.488 1.118 . . . . 0.0 111.026 179.941 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -66.56 71.61 0.08 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.548 1.155 . . . . 0.0 109.32 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.457 HG22 ' O ' ' A' ' 51' ' ' MET . 19.6 m -128.92 -45.39 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 O-C-N 124.513 1.133 . . . . 0.0 109.355 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.576 ' CB ' ' HB2' ' A' ' 75' ' ' LEU . 8.7 p-10 -96.54 129.86 43.83 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.465 1.103 . . . . 0.0 109.335 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 1.176 HD22 ' N ' ' A' ' 56' ' ' SER . 0.0 OUTLIER -137.9 155.07 49.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.422 1.077 . . . . 0.0 109.261 179.956 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 56' ' ' SER . . . . . 1.176 ' N ' HD22 ' A' ' 55' ' ' LEU . 0.1 OUTLIER -125.06 129.16 49.7 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.559 1.162 . . . . 0.0 109.938 -179.868 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.482 ' O ' ' N ' ' A' ' 72' ' ' GLU . 0.3 OUTLIER -131.78 160.16 36.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.55 1.156 . . . . 0.0 110.358 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.886 ' CB ' HG21 ' A' ' 42' ' ' ILE . . . -129.82 156.0 45.07 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.43 1.081 . . . . 0.0 109.393 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' SER . . . . . 0.545 ' O ' ' HA ' ' A' ' 69' ' ' THR . 1.3 t -104.83 169.49 8.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.612 1.195 . . . . 0.0 109.967 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.727 HG23 ' OG1' ' A' ' 39' ' ' THR . 1.9 m -106.85 145.54 32.03 Favored 'General case' 0 C--N 1.326 -0.413 0 O-C-N 124.515 1.134 . . . . 0.0 110.382 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.517 ' OG1' ' CB ' ' A' ' 68' ' ' SER . 0.6 OUTLIER -138.44 156.25 47.74 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.501 1.126 . . . . 0.0 110.389 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -118.26 133.21 56.08 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.38 1.05 . . . . 0.0 110.312 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -138.07 63.24 1.54 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.567 1.167 . . . . 0.0 110.371 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 71.57 -106.67 1.96 Allowed Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.52 1.137 . . . . 0.0 110.977 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -95.97 -1.64 48.66 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.495 0.762 . . . . 0.0 110.333 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.703 HD23 ' CA ' ' A' ' 34' ' ' GLY . 2.6 mp -105.86 166.29 10.58 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.371 1.044 . . . . 0.0 109.395 179.853 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.915 ' HB3' ' O ' ' A' ' 36' ' ' THR . . . -133.17 118.99 19.32 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.46 1.1 . . . . 0.0 109.237 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.927 ' HA ' ' CB ' ' A' ' 33' ' ' SER . 9.4 t -95.66 176.22 6.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.41 1.069 . . . . 0.0 110.081 179.885 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.692 ' HB ' ' OH ' ' A' ' 35' ' ' TYR . 1.1 m -169.53 119.68 0.67 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.13 . . . . 0.0 110.317 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.646 ' O ' ' HA ' ' A' ' 58' ' ' ALA . 37.0 tt0 -95.66 111.79 23.65 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.427 1.08 . . . . 0.0 110.307 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.775 ' HA ' ' CB ' ' A' ' 58' ' ' ALA . 0.1 OUTLIER -94.63 139.61 30.97 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.495 1.122 . . . . 0.0 110.053 179.953 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.65 ' HA ' ' HA ' ' A' ' 29' ' ' LEU . 0.4 OUTLIER -135.64 155.67 50.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.378 1.049 . . . . 0.0 110.387 -179.965 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.903 HD22 HD12 ' A' ' 28' ' ' LEU . 9.7 tt -137.28 138.7 40.32 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.58 1.175 . . . . 0.0 109.326 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.474 ' HA ' ' O ' ' A' ' 26' ' ' ILE . 0.0 OUTLIER -136.05 118.28 15.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 110.365 -179.942 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.798 HD23 HG21 ' A' ' 26' ' ' ILE . 0.3 OUTLIER -143.43 163.84 31.96 Favored 'General case' 0 N--CA 1.45 -0.432 0 O-C-N 124.459 1.099 . . . . 0.0 109.292 179.97 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.721 ' O ' HD12 ' A' ' 75' ' ' LEU . 22.8 t -85.38 131.75 34.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 109.958 -179.908 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.65 -30.01 41.03 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.513 1.133 . . . . 0.0 110.245 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 7.7 tttt -53.95 -54.67 35.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.248 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 1.3 m170 -56.59 -37.77 71.09 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.479 1.112 . . . . 0.0 109.578 -179.858 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' TRP . . . . . 0.958 ' CE3' HD12 ' A' ' 26' ' ' ILE . 27.9 t-105 -61.18 -36.41 79.78 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 108.008 -1.108 . . . . 0.0 108.008 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -68.2 -35.78 78.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.427 1.079 . . . . 0.0 109.297 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' SER . . . . . 0.587 ' O ' ' HB3' ' A' ' 83' ' ' ASP . 21.1 t -77.6 7.97 4.95 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.517 1.135 . . . . 0.0 110.008 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' ASP . . . . . 0.674 ' CB ' ' HA ' ' A' ' 104' ' ' SER . 0.5 OUTLIER 69.36 147.38 0.06 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.496 1.122 . . . . 0.0 109.275 179.953 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.566 HH21 ' CB ' ' A' ' 82' ' ' SER . 0.0 OUTLIER -178.64 175.29 1.1 Allowed 'General case' 0 C--N 1.327 -0.403 0 O-C-N 124.454 1.096 . . . . 0.0 110.338 -179.938 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.489 ' CG2' ' HB3' ' A' ' 47' ' ' ASP . 0.9 OUTLIER -135.8 110.29 8.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.13 . . . . 0.0 110.407 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.906 ' CE1' ' CZ3' ' A' ' 80' ' ' TRP . 0.0 OUTLIER -108.91 137.15 47.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.549 1.155 . . . . 0.0 111.041 179.982 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 87' ' ' THR . . . . . 1.161 ' HA ' ' CB ' ' A' ' 100' ' ' SER . 0.2 OUTLIER -149.23 124.58 10.24 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.456 1.097 . . . . 0.0 110.323 -179.928 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 88' ' ' CYS . . . . . 1.025 ' HB3' ' CZ3' ' A' ' 44' ' ' TRP . 5.0 p -84.43 99.09 10.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.641 1.213 . . . . 0.0 108.304 179.9 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' GLN . . . . . 0.478 ' HA ' ' O ' ' A' ' 97' ' ' PHE . 34.7 tt0 -88.64 101.84 14.37 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.42 1.075 . . . . 0.0 110.312 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 1.018 HG11 HG21 ' A' ' 32' ' ' VAL . 2.7 t -93.75 125.44 46.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.438 1.086 . . . . 0.0 109.317 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.903 ' O ' ' HB ' ' A' ' 40' ' ' ILE . 0.4 OUTLIER -98.78 170.18 8.95 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.574 1.172 . . . . 0.0 110.384 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 92' ' ' TYR . . . . . 0.917 ' CE1' HG12 ' A' ' 90' ' ' VAL . 7.9 m-85 -145.65 157.11 44.0 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.566 1.166 . . . . 0.0 111.007 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 1.5 pp0? -46.98 -24.44 0.61 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.414 1.071 . . . . 0.0 110.3 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -158.52 36.16 0.51 Allowed Glycine 0 CA--C 1.531 1.073 0 O-C-N 124.484 1.115 . . . . 0.0 111.062 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' HIS . . . . . 0.499 ' CA ' ' HB2' ' A' ' 92' ' ' TYR . 3.6 t-80 -161.11 176.44 11.31 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.564 0.803 . . . . 0.0 109.731 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 6.0 t -158.22 165.75 34.1 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.46 1.1 . . . . 0.0 110.43 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' PHE . . . . . 0.564 ' CD1' HG11 ' A' ' 9' ' ' VAL . 0.3 OUTLIER -168.31 165.71 12.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.437 1.086 . . . . 0.0 110.999 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.477 ' HG2' ' CG2' ' A' ' 87' ' ' THR . 17.5 tt0 -160.41 125.57 3.87 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.525 1.141 . . . . 0.0 110.164 -179.885 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 99' ' ' ASP . . . . . 0.595 ' O ' ' SG ' ' A' ' 88' ' ' CYS . 18.5 m-20 -155.4 129.23 8.62 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.501 1.126 . . . . 0.0 109.291 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 100' ' ' SER . . . . . 1.161 ' CB ' ' HA ' ' A' ' 87' ' ' THR . 41.0 t -164.59 -139.88 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 0.0 110.04 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 101' ' ' THR . . . . . 0.621 HG23 ' CD1' ' A' ' 86' ' ' TYR . 9.0 t -134.36 173.01 12.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 110.413 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.435 ' O ' ' HG2' ' A' ' 103' ' ' LYS . 0.0 OUTLIER -167.81 128.07 1.37 Allowed 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.484 1.115 . . . . 0.0 109.291 -179.947 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 103' ' ' LYS . . . . . 0.435 ' HG2' ' O ' ' A' ' 102' ' ' LYS . 2.6 mmtt -151.26 -164.85 2.1 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.481 1.113 . . . . 0.0 109.317 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 104' ' ' SER . . . . . 0.674 ' HA ' ' CB ' ' A' ' 83' ' ' ASP . 9.2 t -137.95 13.1 2.89 Favored 'General case' 0 C--N 1.327 -0.397 0 O-C-N 124.486 1.116 . . . . 0.0 109.953 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 105' ' ' ALA . . . . . 0.417 ' C ' ' CD1' ' A' ' 80' ' ' TRP . . . . . . . . 0 C--N 1.323 -0.573 0 O-C-N 124.499 1.124 . . . . 0.0 109.365 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.956 -0.387 . . . . 0.0 109.956 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.34 -86.88 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.429 1.081 . . . . 0.0 110.331 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.507 ' O ' ' O ' ' A' ' 4' ' ' PHE . 42.6 t0 -170.58 52.75 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.5 1.125 . . . . 0.0 109.273 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.507 ' O ' ' O ' ' A' ' 3' ' ' ASP . 98.0 m-85 56.61 139.64 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.494 1.121 . . . . 0.0 110.939 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.962 HG22 ' HD2' ' A' ' 6' ' ' PRO . 0.2 OUTLIER -84.93 159.66 56.94 Favored Pre-proline 0 C--N 1.323 -0.553 0 O-C-N 124.646 1.216 . . . . 0.0 110.528 179.84 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.962 ' HD2' HG22 ' A' ' 5' ' ' THR . 18.2 Cg_endo -75.05 111.71 3.39 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.478 1.778 . . . . 0.0 111.005 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.659 ' HA ' ' HB3' ' A' ' 35' ' ' TYR . 18.4 Cg_endo -74.99 146.45 32.7 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.584 1.834 . . . . 0.0 111.056 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.524 ' O ' ' HA ' ' A' ' 32' ' ' VAL . 0.0 OUTLIER -155.58 131.09 9.69 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.554 1.159 . . . . 0.0 110.437 179.945 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.656 HG23 ' HB ' ' A' ' 32' ' ' VAL . 2.6 p -132.16 141.59 44.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 109.297 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.57 ' CB ' HD12 ' A' ' 31' ' ' LEU . 2.7 mptt -136.02 159.91 40.25 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.487 1.117 . . . . 0.0 109.237 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.495 ' HA ' HD13 ' A' ' 11' ' ' ILE . 0.1 OUTLIER -132.71 116.27 26.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 109.379 179.916 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.662 ' CD1' HD11 ' A' ' 31' ' ' LEU . 80.8 mt -122.86 133.58 54.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.564 1.165 . . . . 0.0 109.227 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.821 ' HB3' HD23 ' A' ' 28' ' ' LEU . 0.0 OUTLIER -105.6 145.23 31.26 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.505 1.128 . . . . 0.0 110.278 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.455 ' HB3' ' CB ' ' A' ' 27' ' ' GLN . 0.1 OUTLIER -133.15 76.8 1.7 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.571 1.169 . . . . 0.0 110.017 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 25.9 t -123.9 44.82 2.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 110.042 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.436 ' O ' ' C ' ' A' ' 17' ' ' ASP . 98.2 p -82.28 128.93 34.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 110.013 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.436 ' C ' ' O ' ' A' ' 16' ' ' SER . 0.0 OUTLIER -37.01 133.77 0.59 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.544 1.153 . . . . 0.0 109.333 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -156.39 -130.9 1.31 Allowed Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.396 1.06 . . . . 0.0 111.002 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -175.66 95.14 0.1 Allowed Glycine 0 CA--C 1.531 1.041 0 N-CA-C 110.961 -0.856 . . . . 0.0 110.961 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.53 ' O ' ' CB ' ' A' ' 21' ' ' HIS . . . -114.12 60.57 0.37 Allowed Glycine 0 CA--C 1.529 0.954 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' HIS . . . . . 0.85 ' O ' ' CB ' ' A' ' 22' ' ' PHE . 8.5 t60 90.41 1.76 0.18 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.523 0.778 . . . . 0.0 109.668 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.85 ' CB ' ' O ' ' A' ' 21' ' ' HIS . 21.3 t80 107.66 -42.94 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 0.0 110.972 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.734 ' CD ' ' C ' ' A' ' 21' ' ' HIS . 18.1 Cg_endo -75.05 114.27 3.98 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.465 1.771 . . . . 0.0 110.972 -179.908 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.415 ' C ' ' HB2' ' A' ' 77' ' ' GLN . 17.7 Cg_endo -75.21 151.27 38.39 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.551 1.816 . . . . 0.0 110.902 -179.88 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.891 HG22 ' HA ' ' A' ' 76' ' ' SER . 2.1 p -139.67 -168.67 2.54 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.528 1.142 . . . . 0.0 110.389 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.807 HD12 ' CE3' ' A' ' 80' ' ' TRP . 0.0 OUTLIER -132.23 133.52 60.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.624 1.202 . . . . 0.0 109.198 -179.965 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.532 ' HA ' ' O ' ' A' ' 73' ' ' LEU . 0.0 OUTLIER -117.58 84.28 2.13 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.518 1.136 . . . . 0.0 110.282 179.861 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.821 HD23 ' HB3' ' A' ' 13' ' ' GLN . 0.2 OUTLIER -100.74 108.48 20.33 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.445 1.091 . . . . 0.0 109.301 179.962 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.76 ' HA ' ' HA ' ' A' ' 72' ' ' GLU . 0.4 OUTLIER -111.73 129.17 56.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.646 1.216 . . . . 0.0 109.318 179.958 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.448 ' CB ' ' HB2' ' A' ' 71' ' ' SER . 0.1 OUTLIER -91.11 142.5 27.68 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.489 1.118 . . . . 0.0 108.325 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.662 HD11 ' CD1' ' A' ' 12' ' ' LEU . 0.0 OUTLIER -112.08 98.25 7.21 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.58 1.175 . . . . 0.0 109.323 179.89 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 1.089 HG21 HG11 ' A' ' 90' ' ' VAL . 2.7 p -128.45 120.07 51.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.524 1.14 . . . . 0.0 109.367 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.929 ' CB ' ' HA ' ' A' ' 68' ' ' SER . 10.8 p -156.48 178.8 9.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.459 1.1 . . . . 0.0 110.013 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.436 ' O ' ' HB ' ' A' ' 5' ' ' THR . . . 84.82 -44.29 3.35 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.527 1.142 . . . . 0.0 110.969 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 1.085 ' CE2' HG22 ' A' ' 32' ' ' VAL . 4.9 p90 -65.69 155.76 35.02 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.486 0.757 . . . . 0.0 110.923 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.855 ' O ' ' HB3' ' A' ' 67' ' ' ALA . 3.6 m 48.83 144.17 0.01 OUTLIER Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.392 1.058 . . . . 0.0 110.378 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.604 ' HD2' HG22 ' A' ' 36' ' ' THR . 18.6 Cg_endo -75.0 -12.78 21.52 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.443 1.76 . . . . 0.0 110.935 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.57 ' O ' ' CB ' ' A' ' 39' ' ' THR . . . -124.94 -51.88 0.18 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.4 1.062 . . . . 0.0 110.999 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.665 ' O ' HG21 ' A' ' 36' ' ' THR . 0.9 OUTLIER 161.26 172.21 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.511 0.771 . . . . 0.0 110.418 179.975 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.961 ' HB ' ' O ' ' A' ' 91' ' ' THR . 1.3 pt -116.45 -142.59 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.531 1.144 . . . . 0.0 109.344 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ASN . . . . . 0.529 ' C ' HD12 ' A' ' 42' ' ' ILE . 0.0 OUTLIER -112.12 128.31 56.18 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.541 1.15 . . . . 0.0 109.36 179.959 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 1.127 HG21 ' HB3' ' A' ' 58' ' ' ALA . 0.5 OUTLIER -106.19 117.28 51.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.57 1.169 . . . . 0.0 109.236 -179.935 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.619 HG22 ' O ' ' A' ' 89' ' ' GLN . 8.8 t -149.42 166.54 28.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 110.398 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 1.008 ' CZ3' ' HB3' ' A' ' 88' ' ' CYS . 11.4 m95 -139.49 128.59 23.77 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 0.0 108.007 179.888 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 10.0 tp -88.5 111.6 22.02 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.471 1.107 . . . . 0.0 109.25 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -100.94 142.96 31.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 110.359 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.54 ' CB ' ' HB ' ' A' ' 85' ' ' THR . 0.1 OUTLIER -142.01 101.97 4.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.616 1.197 . . . . 0.0 109.298 -179.96 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.442 ' O ' ' HB2' ' A' ' 49' ' ' GLN . . . 147.09 -26.07 1.58 Allowed Glycine 0 CA--C 1.529 0.927 0 O-C-N 124.521 1.138 . . . . 0.0 111.102 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.442 ' HB2' ' O ' ' A' ' 48' ' ' GLY . 7.8 tp60 174.82 86.48 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.412 0.713 . . . . 0.0 110.241 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.586 ' O ' HG13 ' A' ' 50' ' ' VAL . 4.5 p -85.21 41.51 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 O-C-N 124.616 1.197 . . . . 0.0 109.286 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' MET . . . . . 0.485 ' O ' ' N ' ' A' ' 53' ' ' VAL . 0.0 OUTLIER -91.0 167.98 11.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.411 1.069 . . . . 0.0 110.921 -179.931 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -66.21 69.88 0.06 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.44 1.087 . . . . 0.0 109.329 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.801 HG22 ' N ' ' A' ' 54' ' ' ASP . 0.7 OUTLIER -131.02 -96.39 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.384 1.052 . . . . 0.0 109.358 179.929 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.801 ' N ' HG22 ' A' ' 53' ' ' VAL . 2.6 p30 -91.98 124.49 36.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.308 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 1.146 HD22 ' N ' ' A' ' 56' ' ' SER . 0.0 OUTLIER -138.34 159.72 41.34 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.54 1.15 . . . . 0.0 109.369 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 56' ' ' SER . . . . . 1.146 ' N ' HD22 ' A' ' 55' ' ' LEU . 0.0 OUTLIER -125.64 134.46 51.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 109.937 -179.943 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -132.48 153.75 50.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.448 1.093 . . . . 0.0 110.341 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 1.127 ' HB3' HG21 ' A' ' 42' ' ' ILE . . . -134.94 151.81 51.18 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.487 1.117 . . . . 0.0 109.29 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' SER . . . . . 0.618 ' O ' ' HA ' ' A' ' 69' ' ' THR . 0.6 OUTLIER -109.72 161.44 15.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 109.996 -179.946 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 2.2 t -104.13 146.59 28.52 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.507 1.129 . . . . 0.0 110.416 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -139.56 160.83 38.94 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.505 1.128 . . . . 0.0 110.397 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 3.0 mp0 -107.84 130.68 54.97 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.54 1.15 . . . . 0.0 110.272 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 1.056 ' O ' HD12 ' A' ' 66' ' ' LEU . 20.5 mt-10 -130.68 64.42 1.56 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 110.338 179.898 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 71.31 -107.16 2.08 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.608 1.193 . . . . 0.0 111.011 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -95.84 -2.99 46.33 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.531 0.783 . . . . 0.0 110.37 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 1.056 HD12 ' O ' ' A' ' 63' ' ' GLU . 0.0 OUTLIER -110.0 174.27 5.94 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.112 . . . . 0.0 109.299 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.855 ' HB3' ' O ' ' A' ' 36' ' ' THR . . . -136.05 120.31 17.87 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.497 1.123 . . . . 0.0 109.323 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.929 ' HA ' ' CB ' ' A' ' 33' ' ' SER . 11.6 t -92.7 175.65 6.73 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.456 1.097 . . . . 0.0 110.005 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.661 ' HB ' ' OH ' ' A' ' 35' ' ' TYR . 1.2 m -170.12 117.66 0.56 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 110.38 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.65 ' O ' ' HA ' ' A' ' 58' ' ' ALA . 0.1 OUTLIER -99.4 120.32 39.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 110.329 179.902 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.92 ' CB ' ' HB2' ' A' ' 58' ' ' ALA . 1.9 m -109.71 145.94 35.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.424 1.077 . . . . 0.0 109.953 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.76 ' HA ' ' HA ' ' A' ' 29' ' ' LEU . 20.6 tt0 -136.87 160.97 37.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.398 1.061 . . . . 0.0 110.31 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.805 HD12 ' H ' ' A' ' 74' ' ' THR . 6.4 tp -138.65 140.46 38.87 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.513 1.133 . . . . 0.0 109.313 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.805 ' H ' HD12 ' A' ' 73' ' ' LEU . 0.0 OUTLIER -136.85 115.6 12.14 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.408 1.068 . . . . 0.0 110.491 -179.984 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.769 HD12 ' O ' ' A' ' 76' ' ' SER . 0.4 OUTLIER -141.91 157.0 45.49 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.453 1.096 . . . . 0.0 109.282 -179.918 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.891 ' HA ' HG22 ' A' ' 25' ' ' THR . 39.1 t -86.48 137.22 32.7 Favored 'General case' 0 C--N 1.323 -0.583 0 O-C-N 124.523 1.14 . . . . 0.0 110.06 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' GLN . . . . . 0.415 ' HB2' ' C ' ' A' ' 24' ' ' PRO . 4.4 tm0? -52.79 -33.06 47.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.435 1.085 . . . . 0.0 110.308 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -53.52 -52.18 60.45 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.53 1.144 . . . . 0.0 109.316 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 2.9 m80 -58.3 -37.13 74.45 Favored 'General case' 0 C--N 1.327 -0.4 0 O-C-N 124.533 1.146 . . . . 0.0 109.563 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' TRP . . . . . 0.897 ' CZ3' ' CE1' ' A' ' 86' ' ' TYR . 36.7 t-105 -59.64 -44.75 93.38 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.587 1.179 . . . . 0.0 108.089 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -70.02 -31.34 68.94 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.513 1.133 . . . . 0.0 109.322 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' SER . . . . . 0.778 ' HB3' HH21 ' A' ' 84' ' ' ARG . 48.4 t -78.18 9.28 3.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.427 1.079 . . . . 0.0 110.004 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' ASP . . . . . 0.522 ' HB2' ' CB ' ' A' ' 104' ' ' SER . 0.2 OUTLIER 68.4 147.18 0.05 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.476 1.11 . . . . 0.0 109.237 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.778 HH21 ' HB3' ' A' ' 82' ' ' SER . 0.1 OUTLIER 178.34 175.8 0.53 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.447 1.092 . . . . 0.0 110.267 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.54 ' HB ' ' CB ' ' A' ' 47' ' ' ASP . 0.9 OUTLIER -136.92 102.26 4.82 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.529 1.143 . . . . 0.0 110.451 179.938 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.897 ' CE1' ' CZ3' ' A' ' 80' ' ' TRP . 0.0 OUTLIER -108.31 123.89 49.5 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.482 1.114 . . . . 0.0 110.993 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 87' ' ' THR . . . . . 1.435 ' HA ' ' CB ' ' A' ' 100' ' ' SER . 50.6 m -144.5 131.82 20.76 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.434 1.084 . . . . 0.0 110.413 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' CYS . . . . . 1.008 ' HB3' ' CZ3' ' A' ' 44' ' ' TRP . 13.5 p -89.5 100.22 13.06 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 0.0 108.386 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' GLN . . . . . 0.619 ' O ' HG22 ' A' ' 43' ' ' THR . 34.6 tt0 -91.47 109.07 20.35 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.594 1.184 . . . . 0.0 110.358 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 1.089 HG11 HG21 ' A' ' 32' ' ' VAL . 2.8 t -100.87 124.86 54.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.53 1.144 . . . . 0.0 109.364 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.961 ' O ' ' HB ' ' A' ' 40' ' ' ILE . 5.7 m -105.37 165.69 10.95 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.493 1.121 . . . . 0.0 110.415 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' TYR . . . . . 0.958 ' CE1' HG12 ' A' ' 90' ' ' VAL . 3.1 m-85 -140.55 156.59 46.26 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.47 1.106 . . . . 0.0 110.881 -179.896 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 1.1 pt20 -50.48 -20.98 1.29 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.643 1.214 . . . . 0.0 110.332 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -157.23 34.54 0.55 Allowed Glycine 0 CA--C 1.532 1.105 0 O-C-N 124.45 1.094 . . . . 0.0 110.923 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' HIS . . . . . 0.51 ' CA ' ' HB2' ' A' ' 92' ' ' TYR . 4.5 t60 -162.0 178.25 9.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.554 0.797 . . . . 0.0 109.576 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.41 ' HA ' ' HA ' ' A' ' 91' ' ' THR . 5.3 t -160.12 166.2 30.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.565 1.166 . . . . 0.0 110.401 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 97' ' ' PHE . . . . . 0.406 ' HD2' ' CE1' ' A' ' 92' ' ' TYR . 4.3 m-85 -165.56 160.53 17.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 110.933 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.481 ' CG ' ' HB2' ' A' ' 89' ' ' GLN . 1.1 tt0 -158.78 119.77 3.34 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.37 1.044 . . . . 0.0 110.303 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 99' ' ' ASP . . . . . 0.49 ' O ' ' SG ' ' A' ' 88' ' ' CYS . 7.0 m-20 -151.52 127.5 10.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.105 . . . . 0.0 109.271 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 100' ' ' SER . . . . . 1.435 ' CB ' ' HA ' ' A' ' 87' ' ' THR . 2.0 t -171.23 -150.77 0.07 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.561 1.163 . . . . 0.0 109.99 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 101' ' ' THR . . . . . 0.678 HG23 ' CD1' ' A' ' 86' ' ' TYR . 10.0 t -136.28 175.52 9.53 Favored 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.37 1.044 . . . . 0.0 110.446 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -170.92 155.73 4.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 0.0 109.332 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 103' ' ' LYS . . . . . 0.638 ' O ' ' N ' ' A' ' 105' ' ' ALA . 0.0 OUTLIER -148.28 156.77 42.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.535 1.147 . . . . 0.0 109.344 179.92 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 104' ' ' SER . . . . . 0.552 ' N ' ' HG3' ' A' ' 103' ' ' LYS . 5.8 t 30.39 33.17 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.945 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 105' ' ' ALA . . . . . 0.638 ' N ' ' O ' ' A' ' 103' ' ' LYS . . . . . . . . 0 C--N 1.323 -0.552 0 O-C-N 124.582 1.176 . . . . 0.0 109.207 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 1' ' ' SER . . . . . 0.499 ' O ' ' CB ' ' A' ' 2' ' ' ARG . 8.0 p . . . . . 0 N--CA 1.452 -0.35 0 N-CA-C 109.991 -0.374 . . . . 0.0 109.991 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ARG . . . . . 0.499 ' CB ' ' O ' ' A' ' 1' ' ' SER . 3.0 ttt85 83.69 -148.63 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.567 0 O-C-N 124.524 1.14 . . . . 0.0 110.322 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.526 ' C ' ' CG ' ' A' ' 4' ' ' PHE . 32.6 t0 -153.33 173.03 16.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.46 1.1 . . . . 0.0 109.308 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.526 ' CG ' ' C ' ' A' ' 3' ' ' ASP . 1.6 m-85 74.35 156.85 0.18 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.127 . . . . 0.0 110.98 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.702 HG21 ' HG ' ' A' ' 66' ' ' LEU . 0.1 OUTLIER -86.47 179.52 1.78 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 110.427 179.961 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.596 ' CD ' HG22 ' A' ' 5' ' ' THR . 18.5 Cg_endo -74.87 113.27 3.75 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.524 1.802 . . . . 0.0 111.078 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.62 ' HA ' ' HB3' ' A' ' 35' ' ' TYR . 18.4 Cg_endo -74.99 154.67 42.7 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.531 1.806 . . . . 0.0 110.983 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.52 ' O ' ' HA ' ' A' ' 32' ' ' VAL . 0.0 OUTLIER -156.32 126.72 6.64 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.545 1.153 . . . . 0.0 110.442 179.966 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.736 HG21 ' CE1' ' A' ' 97' ' ' PHE . 6.5 p -134.82 133.43 54.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.558 1.161 . . . . 0.0 109.276 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.629 ' HB2' HD11 ' A' ' 31' ' ' LEU . 0.3 OUTLIER -140.28 152.58 46.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.443 1.09 . . . . 0.0 109.34 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.569 ' CG1' ' HA ' ' A' ' 100' ' ' SER . 0.4 OUTLIER -127.91 109.94 20.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.481 1.113 . . . . 0.0 109.368 179.917 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.91 ' C ' HD22 ' A' ' 12' ' ' LEU . 0.0 OUTLIER -111.15 145.48 38.56 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.417 1.073 . . . . 0.0 109.252 -179.969 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.627 ' N ' HD22 ' A' ' 12' ' ' LEU . 0.0 OUTLIER -104.21 143.64 32.67 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.403 1.065 . . . . 0.0 110.384 179.941 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.416 ' HB3' ' CB ' ' A' ' 27' ' ' GLN . 0.1 OUTLIER -132.39 74.02 1.56 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 110.07 -179.97 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.414 ' OG ' ' N ' ' A' ' 16' ' ' SER . 96.2 p -113.73 -82.12 0.6 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.439 1.087 . . . . 0.0 110.127 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.414 ' N ' ' OG ' ' A' ' 15' ' ' SER . 82.5 p -81.78 63.8 6.2 Favored 'General case' 0 C--N 1.323 -0.562 0 O-C-N 124.483 1.115 . . . . 0.0 110.102 179.851 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.405 ' C ' ' O ' ' A' ' 16' ' ' SER . 33.5 t0 -40.28 158.22 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.115 . . . . 0.0 109.27 -179.909 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -56.22 -98.25 0.01 OUTLIER Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.478 1.111 . . . . 0.0 110.999 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -93.76 64.96 1.76 Allowed Glycine 0 CA--C 1.531 1.084 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -148.2 -90.43 0.09 OUTLIER Glycine 0 CA--C 1.53 1.02 0 N-CA-C 110.89 -0.884 . . . . 0.0 110.89 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 68.5 122.1 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.519 0.776 . . . . 0.0 109.56 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.613 ' CB ' ' HD3' ' A' ' 23' ' ' PRO . 0.1 OUTLIER -177.74 -55.21 0.0 OUTLIER Pre-proline 0 C--N 1.327 -0.413 0 O-C-N 124.438 1.087 . . . . 0.0 110.872 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.613 ' HD3' ' CB ' ' A' ' 22' ' ' PHE . 18.4 Cg_endo -74.93 113.52 3.81 Favored 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.52 1.8 . . . . 0.0 111.016 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.45 ' O ' ' HB2' ' A' ' 77' ' ' GLN . 18.4 Cg_endo -75.0 -10.96 21.44 Favored 'Trans proline' 0 C--N 1.361 1.216 0 O-C-N 124.427 1.751 . . . . 0.0 110.996 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.433 ' HB ' ' O ' ' A' ' 75' ' ' LEU . 4.6 p -80.74 -159.1 0.22 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.14 . . . . 0.0 110.422 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 1.106 HG21 HD23 ' A' ' 75' ' ' LEU . 0.7 OUTLIER -133.58 130.53 56.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.472 1.107 . . . . 0.0 109.248 -179.98 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.416 ' CB ' ' HB3' ' A' ' 14' ' ' SER . 2.9 mt-30 -114.05 84.08 1.98 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.548 1.155 . . . . 0.0 110.321 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.857 ' C ' HD13 ' A' ' 29' ' ' LEU . 4.2 mt -96.46 105.28 17.34 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.545 1.153 . . . . 0.0 109.212 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.866 ' N ' HD13 ' A' ' 29' ' ' LEU . 0.0 OUTLIER -105.76 124.45 49.58 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.448 1.092 . . . . 0.0 109.326 179.937 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.475 ' CB ' ' HB2' ' A' ' 71' ' ' SER . 0.5 OUTLIER -94.85 116.66 29.0 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.57 1.169 . . . . 0.0 108.291 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.629 HD11 ' HB2' ' A' ' 10' ' ' LYS . 3.2 pp -89.64 109.9 20.82 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 109.294 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 1.178 HG22 ' CE2' ' A' ' 35' ' ' TYR . 2.4 p -136.75 108.64 6.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.416 1.072 . . . . 0.0 109.325 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.883 ' CB ' ' HA ' ' A' ' 68' ' ' SER . 12.9 p -147.72 -177.6 5.81 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.521 1.138 . . . . 0.0 109.989 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.632 ' HA2' ' HB3' ' A' ' 66' ' ' LEU . . . 80.81 -47.66 3.57 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.581 1.175 . . . . 0.0 111.06 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 1.178 ' CE2' HG22 ' A' ' 32' ' ' VAL . 11.0 p90 -64.32 154.75 34.38 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.388 0.699 . . . . 0.0 111.009 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.753 HG21 ' O ' ' A' ' 39' ' ' THR . 3.8 m 46.98 139.35 0.0 OUTLIER Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.139 . . . . 0.0 110.405 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.446 ' HD3' ' HA ' ' A' ' 36' ' ' THR . 18.1 Cg_endo -74.99 -15.42 20.78 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.516 1.798 . . . . 0.0 110.949 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.648 ' O ' HG22 ' A' ' 39' ' ' THR . . . -124.47 3.79 8.79 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.507 1.129 . . . . 0.0 110.973 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.753 ' O ' HG21 ' A' ' 36' ' ' THR . 0.6 OUTLIER 92.23 -167.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.567 0.804 . . . . 0.0 110.404 -179.969 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.916 ' HB ' ' O ' ' A' ' 91' ' ' THR . 0.8 OUTLIER -130.67 -141.47 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 109.182 -179.851 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ASN . . . . . 0.906 ' C ' HD13 ' A' ' 42' ' ' ILE . 46.4 t30 -116.22 162.98 16.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 0.0 109.225 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.906 HD13 ' C ' ' A' ' 41' ' ' ASN . 1.1 mm -115.34 133.12 62.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.546 1.154 . . . . 0.0 109.341 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.586 ' C ' ' CD1' ' A' ' 44' ' ' TRP . 1.9 m -154.81 158.26 39.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 110.353 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 1.113 ' CZ3' ' HB3' ' A' ' 88' ' ' CYS . 20.1 m95 -149.05 130.46 14.75 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.61 1.194 . . . . 0.0 107.949 -179.87 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.424 ' CB ' ' OE1' ' A' ' 98' ' ' GLU . 0.2 OUTLIER -100.51 110.44 22.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.279 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.4 ' HA ' ' O ' ' A' ' 85' ' ' THR . 0.0 OUTLIER -100.15 101.25 12.25 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.55 1.156 . . . . 0.0 110.254 179.972 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.516 ' O ' ' HA ' ' A' ' 84' ' ' ARG . 9.8 t0 -83.93 81.6 8.71 Favored 'General case' 0 C--N 1.327 -0.408 0 O-C-N 124.401 1.063 . . . . 0.0 109.365 179.901 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.501 ' O ' ' CB ' ' A' ' 49' ' ' GLN . . . 173.22 -39.88 0.15 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.518 1.136 . . . . 0.0 110.988 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.501 ' CB ' ' O ' ' A' ' 48' ' ' GLY . 1.9 mt-30 161.08 104.33 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.533 0.784 . . . . 0.0 110.345 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.674 ' O ' HG13 ' A' ' 50' ' ' VAL . 3.6 p -85.39 44.63 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 109.232 -179.865 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' MET . . . . . 0.499 ' O ' ' N ' ' A' ' 53' ' ' VAL . 0.0 OUTLIER -77.02 172.14 13.67 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.621 1.201 . . . . 0.0 110.961 -179.957 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -66.02 69.51 0.05 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.421 1.076 . . . . 0.0 109.236 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.766 HG22 ' N ' ' A' ' 54' ' ' ASP . 1.4 p -132.73 -101.41 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.556 1.16 . . . . 0.0 109.401 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.766 ' N ' HG22 ' A' ' 53' ' ' VAL . 4.1 m-20 -93.46 134.2 35.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.147 . . . . 0.0 109.309 179.892 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 1.099 HD22 ' N ' ' A' ' 56' ' ' SER . 0.0 OUTLIER -141.96 160.33 40.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.433 1.083 . . . . 0.0 109.249 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 56' ' ' SER . . . . . 1.099 ' N ' HD22 ' A' ' 55' ' ' LEU . 0.2 OUTLIER -129.99 132.96 46.48 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.476 1.11 . . . . 0.0 109.92 -179.965 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -130.79 157.83 41.8 Favored 'General case' 0 C--N 1.327 -0.397 0 O-C-N 124.518 1.136 . . . . 0.0 110.358 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.811 ' HB3' ' CG2' ' A' ' 42' ' ' ILE . . . -134.14 150.5 51.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.42 1.075 . . . . 0.0 109.268 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' SER . . . . . 0.609 ' O ' ' HA ' ' A' ' 69' ' ' THR . 0.5 OUTLIER -108.65 151.83 25.62 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.451 1.094 . . . . 0.0 110.022 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.55 ' HB ' HG21 ' A' ' 39' ' ' THR . 1.3 t -105.2 142.38 35.06 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.439 1.087 . . . . 0.0 110.474 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.722 ' OG1' ' O ' ' A' ' 68' ' ' SER . 0.6 OUTLIER -142.75 158.12 43.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.55 1.156 . . . . 0.0 110.341 -179.903 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 5.4 tt0 -95.25 130.41 42.01 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.498 1.124 . . . . 0.0 110.312 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -129.27 63.39 1.5 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.471 1.107 . . . . 0.0 110.269 -179.914 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 73.69 -107.2 2.18 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.459 1.1 . . . . 0.0 111.006 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -100.21 0.01 39.57 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.437 0.728 . . . . 0.0 110.311 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.702 ' HG ' HG21 ' A' ' 5' ' ' THR . 5.7 mp -114.27 -179.38 3.62 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.489 1.118 . . . . 0.0 109.324 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.728 ' HB3' ' O ' ' A' ' 36' ' ' THR . . . -133.98 121.65 21.94 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.131 . . . . 0.0 109.333 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.883 ' HA ' ' CB ' ' A' ' 33' ' ' SER . 23.0 t -104.2 119.81 39.76 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.549 1.156 . . . . 0.0 109.995 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.714 ' HB ' ' OH ' ' A' ' 35' ' ' TYR . 0.8 OUTLIER -122.76 114.67 20.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.602 1.189 . . . . 0.0 110.383 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.589 ' O ' ' HA ' ' A' ' 58' ' ' ALA . 29.8 pt20 -91.66 127.72 37.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.451 1.095 . . . . 0.0 110.358 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.738 ' CB ' ' HB2' ' A' ' 58' ' ' ALA . 0.8 OUTLIER -111.05 143.07 42.34 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.541 1.151 . . . . 0.0 110.003 179.979 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.648 ' HA ' ' HA ' ' A' ' 29' ' ' LEU . 0.9 OUTLIER -134.11 152.93 52.06 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.487 1.117 . . . . 0.0 110.306 -179.956 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.822 HD13 HD12 ' A' ' 28' ' ' LEU . 6.3 tt -134.44 139.03 45.24 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.564 1.165 . . . . 0.0 109.248 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.773 ' N ' HD23 ' A' ' 73' ' ' LEU . 0.0 OUTLIER -134.32 114.93 13.5 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.446 1.091 . . . . 0.0 110.386 179.94 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 1.106 HD23 HG21 ' A' ' 26' ' ' ILE . 0.1 OUTLIER -142.31 136.77 30.05 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.392 1.058 . . . . 0.0 109.333 -179.971 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.655 ' O ' HD12 ' A' ' 75' ' ' LEU . 0.4 OUTLIER -71.72 164.33 26.14 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 110.047 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 77' ' ' GLN . . . . . 0.45 ' HB2' ' O ' ' A' ' 24' ' ' PRO . 0.0 OUTLIER -69.85 -39.56 76.33 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.398 1.061 . . . . 0.0 110.303 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 24.6 tttt -51.99 -54.45 29.72 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.486 1.116 . . . . 0.0 109.301 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' HIS . . . . . 0.672 ' CE1' HG23 ' A' ' 53' ' ' VAL . 7.7 m170 -59.81 -34.73 73.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 109.579 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' TRP . . . . . 0.902 ' CZ3' ' CE1' ' A' ' 86' ' ' TYR . 41.7 t-105 -62.44 -43.85 97.82 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.532 1.145 . . . . 0.0 107.978 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 1.2 tp -67.7 -22.0 65.29 Favored 'General case' 0 C--N 1.323 -0.568 0 O-C-N 124.515 1.134 . . . . 0.0 109.312 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' SER . . . . . 0.851 ' HB3' HH21 ' A' ' 84' ' ' ARG . 0.3 OUTLIER -74.35 -9.68 58.83 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.482 1.114 . . . . 0.0 109.88 -179.934 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 83' ' ' ASP . . . . . 0.663 ' O ' ' CB ' ' A' ' 84' ' ' ARG . 0.3 OUTLIER 87.22 -158.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.583 1.177 . . . . 0.0 109.191 179.961 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.851 HH21 ' HB3' ' A' ' 82' ' ' SER . 5.8 ptp180 100.63 168.74 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.488 1.117 . . . . 0.0 110.241 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.893 HG23 ' HB3' ' A' ' 102' ' ' LYS . 45.9 m -121.74 112.61 18.61 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.438 1.086 . . . . 0.0 110.4 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.902 ' CE1' ' CZ3' ' A' ' 80' ' ' TRP . 0.0 OUTLIER -101.88 92.97 5.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.593 1.183 . . . . 0.0 111.015 -179.968 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 87' ' ' THR . . . . . 1.232 ' HA ' ' CB ' ' A' ' 100' ' ' SER . 0.2 OUTLIER -113.29 139.61 48.69 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 110.449 179.955 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 88' ' ' CYS . . . . . 1.113 ' HB3' ' CZ3' ' A' ' 44' ' ' TRP . 28.1 p -90.17 104.16 16.76 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.496 1.123 . . . . 0.0 108.283 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 89' ' ' GLN . . . . . 0.494 ' H ' ' HA ' ' A' ' 44' ' ' TRP . 3.8 tt0 -93.22 106.25 18.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.56 1.163 . . . . 0.0 110.36 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.909 HG11 HG21 ' A' ' 32' ' ' VAL . 3.4 t -96.4 133.05 39.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.521 1.138 . . . . 0.0 109.342 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.916 ' O ' ' HB ' ' A' ' 40' ' ' ILE . 0.8 OUTLIER -103.7 163.64 12.19 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.482 1.114 . . . . 0.0 110.396 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 92' ' ' TYR . . . . . 0.817 ' CE1' HG12 ' A' ' 90' ' ' VAL . 27.1 m-85 -140.22 158.61 43.77 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.13 . . . . 0.0 111.038 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -46.56 -27.39 1.11 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.373 1.046 . . . . 0.0 110.261 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -157.11 36.19 0.56 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.408 1.068 . . . . 0.0 111.066 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' HIS . . . . . 0.461 ' CA ' ' HB2' ' A' ' 92' ' ' TYR . 5.8 t60 -158.99 171.34 20.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.559 0.799 . . . . 0.0 109.505 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 8.4 t -161.48 161.18 29.97 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.563 1.165 . . . . 0.0 110.419 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' PHE . . . . . 0.736 ' CE1' HG21 ' A' ' 9' ' ' VAL . 0.0 OUTLIER -169.72 163.48 9.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 0.0 110.982 -179.944 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.448 ' HG2' ' CG2' ' A' ' 87' ' ' THR . 32.2 tt0 -155.58 126.52 7.02 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.446 1.091 . . . . 0.0 110.223 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 99' ' ' ASP . . . . . 0.612 ' O ' ' SG ' ' A' ' 88' ' ' CYS . 1.0 OUTLIER -156.48 134.04 10.85 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.651 1.22 . . . . 0.0 109.268 179.986 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 100' ' ' SER . . . . . 1.232 ' CB ' ' HA ' ' A' ' 87' ' ' THR . 3.3 t -171.54 -136.69 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.514 1.134 . . . . 0.0 109.974 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 101' ' ' THR . . . . . 0.759 HG23 ' CD1' ' A' ' 86' ' ' TYR . 8.7 t -133.78 178.5 6.89 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 110.374 -179.915 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.893 ' HB3' HG23 ' A' ' 85' ' ' THR . 0.0 OUTLIER -170.9 160.18 6.57 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 124.558 1.162 . . . . 0.0 109.261 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 103' ' ' LYS . . . . . 0.678 ' O ' ' N ' ' A' ' 105' ' ' ALA . 0.4 OUTLIER -148.38 172.11 14.95 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.527 1.142 . . . . 0.0 109.323 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 104' ' ' SER . . . . . 0.622 ' CB ' ' HB2' ' A' ' 83' ' ' ASP . 2.9 t 27.38 35.99 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.494 1.121 . . . . 0.0 110.013 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 105' ' ' ALA . . . . . 0.678 ' N ' ' O ' ' A' ' 103' ' ' LYS . . . . . . . . 0 C--N 1.326 -0.437 0 O-C-N 124.568 1.167 . . . . 0.0 109.249 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.992 -0.373 . . . . 0.0 109.992 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 9.7 ptt180 -165.45 82.28 0.34 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.504 1.127 . . . . 0.0 110.267 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -154.93 173.71 16.15 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.547 1.155 . . . . 0.0 109.228 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.595 ' C ' ' CD1' ' A' ' 4' ' ' PHE . 0.0 OUTLIER 62.76 168.66 0.13 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 0.0 110.989 -179.899 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.702 HG22 ' CD ' ' A' ' 6' ' ' PRO . 0.2 OUTLIER -144.07 -176.56 0.56 Allowed Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.574 1.171 . . . . 0.0 110.435 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.702 ' CD ' HG22 ' A' ' 5' ' ' THR . 18.8 Cg_endo -74.9 115.0 4.16 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.549 1.815 . . . . 0.0 110.994 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.573 ' HA ' ' HB3' ' A' ' 35' ' ' TYR . 18.2 Cg_endo -74.99 158.26 42.36 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.476 1.777 . . . . 0.0 111.072 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.513 ' O ' ' HA ' ' A' ' 32' ' ' VAL . 0.0 OUTLIER -149.24 129.35 13.58 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.477 1.11 . . . . 0.0 110.411 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.766 HG23 ' HB ' ' A' ' 32' ' ' VAL . 2.2 p -131.64 143.96 38.84 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 O-C-N 124.47 1.106 . . . . 0.0 109.33 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.595 ' N ' ' O ' ' A' ' 31' ' ' LEU . 5.8 mttt -134.85 156.07 49.55 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.487 1.117 . . . . 0.0 109.272 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.813 HD11 HD22 ' A' ' 28' ' ' LEU . 0.0 OUTLIER -128.44 113.71 30.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.507 1.13 . . . . 0.0 109.241 -179.9 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.921 HD12 HD11 ' A' ' 31' ' ' LEU . 95.3 mt -117.8 134.45 54.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.451 1.095 . . . . 0.0 109.299 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -105.32 143.7 33.13 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.425 1.078 . . . . 0.0 110.331 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.413 ' HB2' ' O ' ' A' ' 27' ' ' GLN . 0.1 OUTLIER -132.14 75.58 1.65 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.4 1.062 . . . . 0.0 110.041 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 91.2 p -111.18 176.0 5.2 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 110.031 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.411 ' O ' ' C ' ' A' ' 17' ' ' ASP . 10.4 p -158.6 114.47 2.67 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.506 1.129 . . . . 0.0 109.931 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.411 ' C ' ' O ' ' A' ' 16' ' ' SER . 11.9 t70 -39.9 158.73 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.483 1.115 . . . . 0.0 109.289 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -70.01 155.0 53.08 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.544 1.153 . . . . 0.0 110.874 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -81.39 -36.89 19.22 Favored Glycine 0 CA--C 1.53 0.997 0 N-CA-C 111.119 -0.792 . . . . 0.0 111.119 179.864 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -169.41 -48.49 0.03 OUTLIER Glycine 0 CA--C 1.53 0.972 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 22.3 m-70 -84.01 -53.39 5.59 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.421 0.718 . . . . 0.0 109.519 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.515 ' CD2' ' O ' ' A' ' 23' ' ' PRO . 4.6 p90 -176.42 163.87 1.74 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.552 1.157 . . . . 0.0 110.98 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.515 ' O ' ' CD2' ' A' ' 22' ' ' PHE . 18.3 Cg_endo -75.09 166.93 28.07 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.548 1.815 . . . . 0.0 110.981 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.401 ' O ' ' HB2' ' A' ' 77' ' ' GLN . 18.4 Cg_endo -74.95 -91.81 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.511 1.795 . . . . 0.0 111.031 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.616 HG22 ' HA ' ' A' ' 76' ' ' SER . 37.4 p -140.37 -158.87 0.9 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.579 1.174 . . . . 0.0 110.395 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.898 HD12 ' CZ3' ' A' ' 80' ' ' TRP . 0.1 OUTLIER -132.24 129.16 59.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.451 1.094 . . . . 0.0 109.357 -179.97 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.551 ' HA ' ' O ' ' A' ' 73' ' ' LEU . 1.1 mt-30 -113.81 88.2 2.79 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.417 1.073 . . . . 0.0 110.287 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.813 HD22 HD11 ' A' ' 11' ' ' ILE . 4.8 mt -94.34 100.36 12.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.399 1.062 . . . . 0.0 109.229 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.69 ' HA ' ' HA ' ' A' ' 72' ' ' GLU . 10.6 mp -98.91 120.74 39.86 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.524 1.14 . . . . 0.0 109.272 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.587 ' HB2' ' CZ2' ' A' ' 44' ' ' TRP . 0.0 OUTLIER -93.78 137.01 33.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 108.345 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.921 HD11 HD12 ' A' ' 12' ' ' LEU . 1.2 mp -109.79 108.14 18.37 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.571 1.169 . . . . 0.0 109.299 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 1.061 HG22 ' CE2' ' A' ' 35' ' ' TYR . 3.6 p -132.28 117.75 33.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.353 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.899 ' CB ' ' HA ' ' A' ' 68' ' ' SER . 20.3 p -152.61 -177.03 5.98 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.562 1.164 . . . . 0.0 110.046 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.524 ' CA ' HD23 ' A' ' 66' ' ' LEU . . . 81.42 -47.37 3.6 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.41 1.069 . . . . 0.0 110.987 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 1.061 ' CE2' HG22 ' A' ' 32' ' ' VAL . 5.3 p90 -62.76 158.1 19.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.461 0.742 . . . . 0.0 110.931 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.959 ' O ' ' HB3' ' A' ' 67' ' ' ALA . 4.0 m 45.32 142.71 0.0 OUTLIER Pre-proline 0 C--N 1.326 -0.421 0 O-C-N 124.49 1.119 . . . . 0.0 110.38 -179.912 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.539 ' HD2' HG22 ' A' ' 36' ' ' THR . 18.4 Cg_endo -75.09 -12.03 21.33 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.453 1.765 . . . . 0.0 111.035 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.533 ' O ' ' CB ' ' A' ' 39' ' ' THR . . . -124.03 -53.82 0.19 Allowed Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.502 1.126 . . . . 0.0 111.017 179.891 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.725 ' O ' HG21 ' A' ' 36' ' ' THR . 0.9 OUTLIER 164.34 173.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.453 0.737 . . . . 0.0 110.457 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.928 ' HB ' ' O ' ' A' ' 91' ' ' THR . 1.7 pt -121.55 -141.95 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.464 1.103 . . . . 0.0 109.282 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ASN . . . . . 0.729 ' CB ' HG22 ' A' ' 91' ' ' THR . 8.6 t-20 -112.83 154.96 25.46 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.102 . . . . 0.0 109.3 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.907 HG21 ' HB3' ' A' ' 58' ' ' ALA . 3.4 mt -126.02 116.9 47.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.552 1.158 . . . . 0.0 109.261 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.533 ' C ' ' CD1' ' A' ' 44' ' ' TRP . 1.7 m -149.25 157.75 43.61 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.512 1.133 . . . . 0.0 110.429 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.983 ' CZ3' ' HB3' ' A' ' 88' ' ' CYS . 7.8 m95 -139.76 129.96 25.21 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.538 1.149 . . . . 0.0 108.009 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.401 ' HB2' ' OE2' ' A' ' 98' ' ' GLU . 0.2 OUTLIER -95.6 118.0 31.49 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.39 1.056 . . . . 0.0 109.29 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.662 ' OE1' HG12 ' A' ' 50' ' ' VAL . 4.6 tm-20 -99.08 146.34 26.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 110.331 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.508 ' CB ' ' HB ' ' A' ' 85' ' ' THR . 0.1 OUTLIER -146.94 96.89 2.82 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.426 1.079 . . . . 0.0 109.264 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.502 ' O ' ' C ' ' A' ' 49' ' ' GLN . . . 161.41 38.03 0.02 OUTLIER Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.484 1.115 . . . . 0.0 111.004 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.502 ' C ' ' O ' ' A' ' 48' ' ' GLY . 0.0 OUTLIER 30.09 68.19 0.1 Allowed 'General case' 0 C--N 1.327 -0.388 0 O-C-N 124.483 0.755 . . . . 0.0 110.389 -179.939 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.662 HG12 ' OE1' ' A' ' 46' ' ' GLU . 4.1 p -86.84 114.65 26.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.527 1.142 . . . . 0.0 109.238 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' MET . . . . . 0.406 ' O ' ' O ' ' A' ' 52' ' ' ASP . 0.0 OUTLIER -86.06 -33.34 21.01 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.433 1.083 . . . . 0.0 111.004 179.941 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.508 ' OD1' HG22 ' A' ' 50' ' ' VAL . 5.5 p-10 -59.97 -151.44 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 109.224 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.483 ' N ' ' CG ' ' A' ' 52' ' ' ASP . 0.0 OUTLIER -116.43 72.6 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.44 1.088 . . . . 0.0 109.242 -179.9 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.513 ' CB ' ' HB2' ' A' ' 75' ' ' LEU . 47.8 t0 -97.25 84.88 3.56 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.451 1.094 . . . . 0.0 109.331 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 1.115 HD22 ' N ' ' A' ' 56' ' ' SER . 0.0 OUTLIER -134.2 152.58 51.9 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.449 1.093 . . . . 0.0 109.277 -179.942 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 56' ' ' SER . . . . . 1.115 ' N ' HD22 ' A' ' 55' ' ' LEU . 0.0 OUTLIER -129.53 135.68 48.9 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.11 . . . . 0.0 109.947 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.416 ' O ' ' N ' ' A' ' 72' ' ' GLU . 0.2 OUTLIER -129.02 153.25 47.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.603 1.189 . . . . 0.0 110.428 179.929 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.907 ' HB3' HG21 ' A' ' 42' ' ' ILE . . . -133.45 155.04 50.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 109.259 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' SER . . . . . 0.583 ' O ' ' HA ' ' A' ' 69' ' ' THR . 8.6 t -109.51 170.45 8.05 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 110.016 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 2.4 t -104.09 146.97 27.96 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.555 1.159 . . . . 0.0 110.378 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.532 ' HG1' ' CB ' ' A' ' 68' ' ' SER . 0.6 OUTLIER -137.4 158.95 43.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 110.403 -179.932 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 11.6 mt-30 -116.32 131.99 56.79 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.596 1.185 . . . . 0.0 110.315 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -137.04 63.99 1.55 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.424 1.078 . . . . 0.0 110.305 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 72.24 -108.47 2.5 Favored Glycine 0 CA--C 1.528 0.867 0 O-C-N 124.608 1.193 . . . . 0.0 111.008 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -94.83 -2.07 51.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.363 0.684 . . . . 0.0 110.317 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.524 HD23 ' CA ' ' A' ' 34' ' ' GLY . 2.4 mp -108.26 169.04 8.88 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.42 1.075 . . . . 0.0 109.322 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.959 ' HB3' ' O ' ' A' ' 36' ' ' THR . . . -134.76 121.21 20.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 109.33 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.899 ' HA ' ' CB ' ' A' ' 33' ' ' SER . 11.7 t -96.43 179.9 4.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.619 1.199 . . . . 0.0 110.078 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.665 ' HB ' ' OH ' ' A' ' 35' ' ' TYR . 1.0 OUTLIER -170.9 122.48 0.59 Allowed 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.407 1.067 . . . . 0.0 110.311 179.894 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.768 ' O ' ' HA ' ' A' ' 58' ' ' ALA . 46.7 mt-30 -97.92 117.26 31.85 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 110.329 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.814 ' CB ' ' HB2' ' A' ' 58' ' ' ALA . 0.7 OUTLIER -106.54 146.33 30.76 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.434 1.084 . . . . 0.0 109.938 -179.957 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.69 ' HA ' ' HA ' ' A' ' 29' ' ' LEU . 0.2 OUTLIER -138.62 151.33 47.15 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.495 1.122 . . . . 0.0 110.333 179.926 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.773 HD22 ' HB2' ' A' ' 28' ' ' LEU . 8.9 tt -131.14 140.82 50.03 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.391 1.057 . . . . 0.0 109.265 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -140.48 117.72 11.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.439 1.087 . . . . 0.0 110.43 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.707 HD21 ' CE2' ' A' ' 86' ' ' TYR . 0.2 OUTLIER -149.91 146.66 27.2 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.511 1.132 . . . . 0.0 109.233 -179.965 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.616 ' HA ' HG22 ' A' ' 25' ' ' THR . 0.2 OUTLIER -63.76 138.39 58.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 110.075 179.942 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 77' ' ' GLN . . . . . 0.432 ' OE1' ' CG ' ' A' ' 23' ' ' PRO . 2.0 mm-40 -67.01 -33.83 76.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.115 . . . . 0.0 110.328 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.18 -53.12 47.17 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 0.0 109.317 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' HIS . . . . . 0.53 ' ND1' ' CZ ' ' A' ' 84' ' ' ARG . 0.5 OUTLIER -60.4 -38.16 83.1 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.609 179.955 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 80' ' ' TRP . . . . . 0.898 ' CZ3' HD12 ' A' ' 26' ' ' ILE . 5.2 t-105 -59.16 -40.29 85.1 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.051 -1.092 . . . . 0.0 108.051 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -68.92 -31.76 70.89 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.444 1.09 . . . . 0.0 109.317 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' SER . . . . . 0.638 ' O ' ' HB2' ' A' ' 83' ' ' ASP . 47.4 m -77.22 5.46 8.41 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.49 1.119 . . . . 0.0 110.042 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' ASP . . . . . 0.698 ' CG ' ' CB ' ' A' ' 104' ' ' SER . 26.0 m-20 84.07 148.17 0.07 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.125 . . . . 0.0 109.346 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.53 ' CZ ' ' ND1' ' A' ' 79' ' ' HIS . 0.0 OUTLIER 179.66 170.67 1.07 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.613 1.196 . . . . 0.0 110.289 -179.906 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.508 ' HB ' ' CB ' ' A' ' 47' ' ' ASP . 1.7 m -138.27 103.12 4.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.593 1.183 . . . . 0.0 110.299 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.857 ' CZ ' ' CE3' ' A' ' 80' ' ' TRP . 0.0 OUTLIER -107.78 138.09 44.63 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.473 1.108 . . . . 0.0 111.126 179.89 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 87' ' ' THR . . . . . 1.245 ' HA ' ' CB ' ' A' ' 100' ' ' SER . 0.2 OUTLIER -149.44 124.43 10.0 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.13 . . . . 0.0 110.373 -179.927 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 88' ' ' CYS . . . . . 0.983 ' HB3' ' CZ3' ' A' ' 44' ' ' TRP . 8.9 p -84.79 97.01 9.46 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.457 1.098 . . . . 0.0 108.398 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 89' ' ' GLN . . . . . 0.529 ' CA ' ' HG3' ' A' ' 98' ' ' GLU . 1.6 tt0 -88.69 101.16 13.71 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.454 1.096 . . . . 0.0 110.329 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.976 HG11 HG21 ' A' ' 32' ' ' VAL . 3.3 t -93.79 126.7 46.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.424 1.077 . . . . 0.0 109.275 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.928 ' O ' ' HB ' ' A' ' 40' ' ' ILE . 0.4 OUTLIER -99.14 171.61 7.9 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 110.405 179.935 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 92' ' ' TYR . . . . . 0.853 ' CE1' HG12 ' A' ' 90' ' ' VAL . 7.8 m-85 -146.95 157.07 43.53 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.548 1.155 . . . . 0.0 110.908 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 93' ' ' GLN . . . . . 0.521 ' HG2' HG23 ' A' ' 36' ' ' THR . 0.3 OUTLIER -46.3 -25.71 0.68 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.486 1.117 . . . . 0.0 110.285 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -157.83 36.24 0.54 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.482 1.114 . . . . 0.0 111.031 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' HIS . . . . . 0.499 ' CA ' ' HB2' ' A' ' 92' ' ' TYR . 2.6 t-80 -161.34 171.33 18.48 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.45 0.736 . . . . 0.0 109.532 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 5.8 t -161.42 161.56 30.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.558 1.161 . . . . 0.0 110.397 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' PHE . . . . . 0.656 ' CD1' HG11 ' A' ' 9' ' ' VAL . 22.9 t80 -171.73 166.37 6.56 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.622 1.202 . . . . 0.0 110.97 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.78 ' HG2' HG22 ' A' ' 87' ' ' THR . 14.2 tt0 -149.32 133.47 17.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.42 1.075 . . . . 0.0 110.362 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 99' ' ' ASP . . . . . 0.637 ' O ' ' SG ' ' A' ' 88' ' ' CYS . 0.0 OUTLIER -151.79 123.05 7.72 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.575 1.172 . . . . 0.0 109.222 -179.971 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 100' ' ' SER . . . . . 1.245 ' CB ' ' HA ' ' A' ' 87' ' ' THR . 26.9 t -168.6 -147.88 0.07 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 110.017 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 101' ' ' THR . . . . . 0.831 HG23 ' CD1' ' A' ' 86' ' ' TYR . 4.6 t -134.11 177.34 7.82 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.432 1.082 . . . . 0.0 110.385 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.471 ' HB3' HG23 ' A' ' 85' ' ' THR . 16.3 pttt -168.31 108.74 0.53 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.432 1.083 . . . . 0.0 109.28 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 103' ' ' LYS . . . . . 0.551 ' HG3' ' N ' ' A' ' 104' ' ' SER . 0.0 OUTLIER -87.21 157.36 19.36 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.509 1.131 . . . . 0.0 109.297 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 104' ' ' SER . . . . . 0.698 ' CB ' ' CG ' ' A' ' 83' ' ' ASP . 1.0 OUTLIER 49.28 19.37 0.32 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.451 1.094 . . . . 0.0 109.965 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 105' ' ' ALA . . . . . 0.433 ' N ' ' C ' ' A' ' 103' ' ' LYS . . . . . . . . 0 C--N 1.323 -0.557 0 O-C-N 124.591 1.182 . . . . 0.0 109.305 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 5.8 m . . . . . 0 N--CA 1.452 -0.366 0 N-CA-C 110.023 -0.362 . . . . 0.0 110.023 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 178.3 47.46 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.561 1.163 . . . . 0.0 110.324 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -65.82 87.81 0.1 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.415 179.906 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.467 ' CE1' ' HD3' ' A' ' 37' ' ' PRO . 3.0 m-85 45.79 -171.11 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.4 0 O-C-N 124.432 1.083 . . . . 0.0 110.977 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.579 HG21 ' O ' ' A' ' 34' ' ' GLY . 0.5 OUTLIER -71.4 170.12 12.97 Favored Pre-proline 0 C--N 1.323 -0.545 0 O-C-N 124.495 1.122 . . . . 0.0 110.342 -179.976 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.55 ' HD2' ' OG1' ' A' ' 5' ' ' THR . 18.1 Cg_endo -75.09 114.75 4.09 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.51 1.795 . . . . 0.0 111.0 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.558 ' HA ' ' HB3' ' A' ' 35' ' ' TYR . 18.6 Cg_endo -74.87 155.78 43.57 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.443 1.759 . . . . 0.0 111.025 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.525 ' O ' ' HA ' ' A' ' 32' ' ' VAL . 0.0 OUTLIER -154.19 128.07 8.83 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.545 1.153 . . . . 0.0 110.345 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.805 HG23 ' HB ' ' A' ' 32' ' ' VAL . 3.1 p -125.5 145.79 32.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 109.354 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.582 ' N ' ' O ' ' A' ' 31' ' ' LEU . 30.6 mmtt -136.35 155.1 50.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.12 . . . . 0.0 109.246 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.604 HD12 ' N ' ' A' ' 12' ' ' LEU . 0.0 OUTLIER -130.31 109.73 17.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 109.325 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.604 ' N ' HD12 ' A' ' 11' ' ' ILE . 30.9 mt -117.41 137.43 52.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.143 . . . . 0.0 109.294 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -107.68 150.26 27.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.561 1.163 . . . . 0.0 110.332 -179.912 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.476 ' HB2' ' CB ' ' A' ' 27' ' ' GLN . 2.2 m -132.46 72.74 1.5 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.421 1.076 . . . . 0.0 109.975 -179.915 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 7.0 t -122.52 34.98 4.99 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.563 1.165 . . . . 0.0 110.018 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.436 ' O ' ' C ' ' A' ' 17' ' ' ASP . 3.2 m -69.29 -60.86 2.06 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.51 1.131 . . . . 0.0 110.021 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.436 ' C ' ' O ' ' A' ' 16' ' ' SER . 15.9 t70 -37.98 156.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 109.294 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -101.93 -66.15 0.77 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.509 1.13 . . . . 0.0 111.026 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 154.34 160.66 9.96 Favored Glycine 0 CA--C 1.53 0.992 0 N-CA-C 111.032 -0.827 . . . . 0.0 111.032 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -174.1 104.35 0.19 Allowed Glycine 0 CA--C 1.53 0.991 0 N-CA-C 111.057 -0.817 . . . . 0.0 111.057 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 3.8 t-80 74.65 -64.93 0.37 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 0.78 . . . . 0.0 109.54 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 7.3 m-85 -79.71 163.01 60.67 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.481 1.113 . . . . 0.0 110.958 -179.875 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.424 ' HA ' ' HD3' ' A' ' 24' ' ' PRO . 18.4 Cg_endo -74.97 140.34 25.41 Favored 'Trans proline' 0 C--N 1.358 1.071 0 O-C-N 124.478 1.778 . . . . 0.0 110.933 -179.913 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.424 ' HD3' ' HA ' ' A' ' 23' ' ' PRO . 18.0 Cg_endo -75.06 158.24 42.09 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.493 1.786 . . . . 0.0 110.955 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.512 HG22 ' HA ' ' A' ' 76' ' ' SER . 24.8 p -143.31 -174.49 4.23 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.523 1.139 . . . . 0.0 110.386 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 1.025 HG23 HD13 ' A' ' 75' ' ' LEU . 0.3 OUTLIER -135.4 136.97 50.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 O-C-N 124.495 1.122 . . . . 0.0 109.294 179.954 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.52 ' HA ' ' O ' ' A' ' 73' ' ' LEU . 0.6 OUTLIER -114.32 96.19 5.66 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.489 1.118 . . . . 0.0 110.236 -179.973 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.627 ' O ' ' CB ' ' A' ' 73' ' ' LEU . 3.5 mt -101.08 103.31 14.4 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.52 1.138 . . . . 0.0 109.297 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.746 ' HA ' ' HA ' ' A' ' 72' ' ' GLU . 0.4 OUTLIER -110.11 128.91 55.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.403 1.064 . . . . 0.0 109.341 179.966 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.479 ' SG ' ' O ' ' A' ' 10' ' ' LYS . 0.1 OUTLIER -93.66 135.52 34.87 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.469 1.105 . . . . 0.0 108.315 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.582 ' O ' ' N ' ' A' ' 10' ' ' LYS . 3.4 mp -103.12 100.95 10.89 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.572 1.17 . . . . 0.0 109.268 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 1.214 HG22 ' CE2' ' A' ' 35' ' ' TYR . 3.8 p -131.42 122.1 49.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 O-C-N 124.52 1.137 . . . . 0.0 109.268 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.904 ' CB ' ' HA ' ' A' ' 68' ' ' SER . 21.7 p -154.98 -176.0 5.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.12 . . . . 0.0 109.929 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.579 ' O ' HG21 ' A' ' 5' ' ' THR . . . 78.81 -47.24 3.04 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.456 1.098 . . . . 0.0 110.987 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 1.214 ' CE2' HG22 ' A' ' 32' ' ' VAL . 12.1 p90 -60.86 143.01 55.68 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 0.769 . . . . 0.0 110.871 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.879 ' O ' ' HB3' ' A' ' 67' ' ' ALA . 9.4 m 48.87 138.63 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.612 1.195 . . . . 0.0 110.411 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.49 ' C ' ' HB2' ' A' ' 67' ' ' ALA . 18.2 Cg_endo -75.13 -8.07 19.61 Favored 'Trans proline' 0 C--N 1.361 1.226 0 O-C-N 124.55 1.816 . . . . 0.0 111.01 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.644 ' O ' HG22 ' A' ' 39' ' ' THR . . . -124.77 4.8 8.54 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.394 1.059 . . . . 0.0 111.027 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.76 HG23 ' N ' ' A' ' 40' ' ' ILE . 0.6 OUTLIER 92.82 -164.59 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.581 0.812 . . . . 0.0 110.3 -179.959 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 1.177 HG21 ' CD2' ' A' ' 92' ' ' TYR . 2.3 pt -133.83 -141.21 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 O-C-N 124.476 1.11 . . . . 0.0 109.179 -179.898 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ASN . . . . . 0.54 ' C ' HD13 ' A' ' 42' ' ' ILE . 24.8 t-20 -113.85 159.63 19.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.543 1.152 . . . . 0.0 109.383 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.718 ' CG2' ' HB3' ' A' ' 58' ' ' ALA . 1.4 mm -117.0 127.86 74.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 O-C-N 124.531 1.144 . . . . 0.0 109.287 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.569 ' C ' ' CD1' ' A' ' 44' ' ' TRP . 2.0 m -154.42 158.68 40.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 110.397 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 1.067 ' CZ3' ' HB3' ' A' ' 88' ' ' CYS . 18.3 m95 -146.79 130.55 17.03 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.139 . . . . 0.0 108.025 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.434 HD22 ' HA ' ' A' ' 45' ' ' LEU . 0.2 OUTLIER -94.83 110.8 22.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.436 1.085 . . . . 0.0 109.279 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -98.97 148.76 23.66 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.465 1.103 . . . . 0.0 110.338 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.525 ' CB ' ' HB ' ' A' ' 85' ' ' THR . 0.4 OUTLIER -156.73 90.78 1.17 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.451 1.094 . . . . 0.0 109.308 179.957 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 162.81 49.42 0.02 OUTLIER Glycine 0 CA--C 1.532 1.104 0 O-C-N 124.647 1.217 . . . . 0.0 110.904 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 5.0 mp0 58.82 89.12 0.06 Allowed 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.529 0.782 . . . . 0.0 110.316 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.686 ' O ' HG13 ' A' ' 50' ' ' VAL . 2.4 p -85.36 44.19 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.458 1.099 . . . . 0.0 109.265 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' MET . . . . . 0.452 ' CG ' ' N ' ' A' ' 52' ' ' ASP . 15.7 ptm -79.83 -38.61 32.5 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.453 1.096 . . . . 0.0 111.011 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.487 ' HB2' ' CE1' ' A' ' 79' ' ' HIS . 4.6 t0 -64.02 -146.93 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.543 1.152 . . . . 0.0 109.276 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -130.35 89.24 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.435 1.084 . . . . 0.0 109.26 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.441 ' HA ' ' O ' ' A' ' 74' ' ' THR . 1.6 m-20 -142.67 108.92 5.25 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.42 1.075 . . . . 0.0 109.259 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 1.1 HD22 ' N ' ' A' ' 56' ' ' SER . 0.0 OUTLIER -136.17 161.62 35.23 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 0.0 109.259 179.973 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 56' ' ' SER . . . . . 1.1 ' N ' HD22 ' A' ' 55' ' ' LEU . 0.0 OUTLIER -130.01 134.04 47.15 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.442 1.089 . . . . 0.0 110.005 -179.975 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.443 ' O ' ' N ' ' A' ' 72' ' ' GLU . 0.3 OUTLIER -132.2 156.12 47.03 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.549 1.156 . . . . 0.0 110.5 179.942 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.722 ' HB2' ' CB ' ' A' ' 71' ' ' SER . . . -130.22 151.59 50.57 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.59 1.182 . . . . 0.0 109.403 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' SER . . . . . 0.515 ' N ' ' O ' ' A' ' 70' ' ' GLN . 0.2 OUTLIER -106.34 162.61 13.53 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.533 1.145 . . . . 0.0 109.967 -179.964 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.559 HG23 ' CB ' ' A' ' 39' ' ' THR . 2.3 m -107.13 141.69 38.0 Favored 'General case' 0 C--N 1.323 -0.573 0 O-C-N 124.571 1.17 . . . . 0.0 110.354 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.678 ' OG1' ' O ' ' A' ' 68' ' ' SER . 0.0 OUTLIER -145.0 156.42 43.94 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.482 1.113 . . . . 0.0 110.423 179.95 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 2.9 tt0 -99.08 129.32 45.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.122 . . . . 0.0 110.293 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.994 ' O ' HD12 ' A' ' 66' ' ' LEU . 0.1 OUTLIER -127.03 64.07 1.31 Allowed 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.469 1.106 . . . . 0.0 110.323 179.957 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 73.69 -107.07 2.14 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.419 1.075 . . . . 0.0 111.018 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -101.14 0.19 37.26 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.432 0.725 . . . . 0.0 110.303 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.994 HD12 ' O ' ' A' ' 63' ' ' GLU . 0.0 OUTLIER -112.95 178.77 4.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 109.295 179.982 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.879 ' HB3' ' O ' ' A' ' 36' ' ' THR . . . -128.72 120.22 26.06 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.507 1.129 . . . . 0.0 109.301 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.904 ' HA ' ' CB ' ' A' ' 33' ' ' SER . 43.7 t -106.23 121.08 43.47 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.374 1.046 . . . . 0.0 110.005 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.888 ' HB ' ' OH ' ' A' ' 35' ' ' TYR . 0.7 OUTLIER -122.34 121.98 37.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.567 1.167 . . . . 0.0 110.379 -179.95 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.648 ' O ' ' HA ' ' A' ' 58' ' ' ALA . 0.1 OUTLIER -95.87 125.66 40.58 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.448 1.092 . . . . 0.0 110.3 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.722 ' CB ' ' HB2' ' A' ' 58' ' ' ALA . 0.7 OUTLIER -108.29 144.59 35.58 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.477 1.111 . . . . 0.0 109.945 -179.95 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.746 ' HA ' ' HA ' ' A' ' 29' ' ' LEU . 44.2 tt0 -133.58 160.83 36.31 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.475 1.11 . . . . 0.0 110.324 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.909 ' HG ' HD11 ' A' ' 75' ' ' LEU . 18.2 tp -139.04 146.24 40.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.45 1.094 . . . . 0.0 109.357 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.723 ' H ' HD12 ' A' ' 73' ' ' LEU . 0.7 OUTLIER -139.87 118.42 12.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.449 1.093 . . . . 0.0 110.425 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 1.025 HD13 HG23 ' A' ' 26' ' ' ILE . 0.0 OUTLIER -140.58 162.49 35.24 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 109.364 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.512 ' HA ' HG22 ' A' ' 25' ' ' THR . 0.1 OUTLIER -89.12 137.92 31.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.11 . . . . 0.0 110.076 179.952 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 21.1 tp60 -56.35 -36.39 68.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.313 1.008 . . . . 0.0 110.236 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.56 -46.94 73.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.117 . . . . 0.0 109.347 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' HIS . . . . . 0.487 ' CE1' ' HB2' ' A' ' 52' ' ' ASP . 0.0 OUTLIER -60.75 -39.81 90.12 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.516 1.135 . . . . 0.0 109.537 -179.969 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 80' ' ' TRP . . . . . 0.869 ' CZ3' ' CZ ' ' A' ' 86' ' ' TYR . 19.4 t-105 -62.63 -34.4 76.96 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.31 -39.74 85.93 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.354 1.034 . . . . 0.0 109.389 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' SER . . . . . 0.499 ' O ' ' HB2' ' A' ' 83' ' ' ASP . 0.2 OUTLIER -77.31 6.9 5.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.431 1.082 . . . . 0.0 109.993 179.943 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 83' ' ' ASP . . . . . 0.569 ' HB3' ' HA ' ' A' ' 104' ' ' SER . 49.3 m-20 65.73 152.83 0.06 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.404 1.065 . . . . 0.0 109.233 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.517 ' HG3' ' CE2' ' A' ' 86' ' ' TYR . 0.5 OUTLIER -179.64 -172.25 0.21 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.524 1.14 . . . . 0.0 110.146 -179.947 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.525 ' HB ' ' CB ' ' A' ' 47' ' ' ASP . 1.0 OUTLIER -136.06 113.64 10.92 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.437 1.086 . . . . 0.0 110.501 179.939 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.869 ' CZ ' ' CZ3' ' A' ' 80' ' ' TRP . 0.0 OUTLIER -119.95 123.67 44.09 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.51 1.131 . . . . 0.0 111.052 179.986 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 87' ' ' THR . . . . . 1.37 ' HA ' ' CB ' ' A' ' 100' ' ' SER . 1.4 m -142.4 136.83 29.95 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.513 1.133 . . . . 0.0 110.413 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' CYS . . . . . 1.067 ' HB3' ' CZ3' ' A' ' 44' ' ' TRP . 1.4 p -96.38 101.4 13.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 108.279 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 89' ' ' GLN . . . . . 0.452 ' N ' ' O ' ' A' ' 43' ' ' THR . 55.3 tt0 -93.68 106.38 18.35 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.437 1.085 . . . . 0.0 110.258 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 1.047 HG21 HG11 ' A' ' 32' ' ' VAL . 0.4 OUTLIER -98.25 121.73 49.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 O-C-N 124.438 1.086 . . . . 0.0 109.294 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 91' ' ' THR . . . . . 1.038 ' O ' ' HB ' ' A' ' 40' ' ' ILE . 0.8 OUTLIER -98.24 166.29 11.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.587 1.18 . . . . 0.0 110.385 179.999 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 92' ' ' TYR . . . . . 1.177 ' CD2' HG21 ' A' ' 40' ' ' ILE . 3.8 m-85 -135.79 153.64 51.46 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.437 1.086 . . . . 0.0 111.078 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 3.3 pp0? -52.16 -20.46 2.58 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.478 1.111 . . . . 0.0 110.303 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -152.77 33.81 0.81 Allowed Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.469 1.106 . . . . 0.0 110.947 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' HIS . . . . . 0.53 ' CA ' ' HB2' ' A' ' 92' ' ' TYR . 6.4 t60 -166.97 175.13 7.84 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.457 0.739 . . . . 0.0 109.626 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 14.8 t -161.25 151.33 17.35 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.128 . . . . 0.0 110.443 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' PHE . . . . . 0.64 ' CD1' HG11 ' A' ' 9' ' ' VAL . 2.8 t80 -163.84 162.53 23.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.541 1.151 . . . . 0.0 110.986 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.613 ' HG2' HG22 ' A' ' 87' ' ' THR . 32.3 tt0 -154.69 136.84 14.76 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.55 1.156 . . . . 0.0 110.356 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 99' ' ' ASP . . . . . 0.682 ' O ' ' SG ' ' A' ' 88' ' ' CYS . 22.8 m-20 -155.87 131.16 9.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.446 1.091 . . . . 0.0 109.27 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 100' ' ' SER . . . . . 1.37 ' CB ' ' HA ' ' A' ' 87' ' ' THR . 0.6 OUTLIER -172.38 -150.02 0.05 Allowed 'General case' 0 C--N 1.327 -0.39 0 O-C-N 124.426 1.079 . . . . 0.0 109.982 -179.964 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 101' ' ' THR . . . . . 0.665 HG23 ' CD1' ' A' ' 86' ' ' TYR . 5.2 t -133.69 172.99 12.0 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.117 . . . . 0.0 110.417 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -170.73 139.19 1.5 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.564 1.165 . . . . 0.0 109.229 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 103' ' ' LYS . . . . . 0.653 ' HZ1' ' HE1' ' A' ' 80' ' ' TRP . 0.0 OUTLIER -151.08 158.44 44.06 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.494 1.121 . . . . 0.0 109.263 -179.964 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 104' ' ' SER . . . . . 0.632 ' N ' ' HG2' ' A' ' 103' ' ' LYS . 7.5 t -148.53 15.64 1.0 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.496 1.123 . . . . 0.0 110.024 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.431 0 O-C-N 124.488 1.118 . . . . 0.0 109.31 -179.989 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 35.8 p . . . . . 0 N--CA 1.451 -0.395 0 N-CA-C 110.122 -0.325 . . . . 0.0 110.122 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 173.98 64.35 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.449 1.093 . . . . 0.0 110.234 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.652 ' O ' ' CB ' ' A' ' 4' ' ' PHE . 6.7 t70 -155.13 -179.95 8.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 109.357 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.652 ' CB ' ' O ' ' A' ' 3' ' ' ASP . 2.0 m-30 86.22 -173.26 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 111.035 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.844 ' O ' HG23 ' A' ' 5' ' ' THR . 0.6 OUTLIER 66.03 46.66 0.48 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.441 1.088 . . . . 0.0 110.439 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.728 ' HD3' ' N ' ' A' ' 5' ' ' THR . 18.6 Cg_endo -74.89 111.87 3.43 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.621 1.853 . . . . 0.0 111.043 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.506 ' HA ' ' HB3' ' A' ' 35' ' ' TYR . 18.4 Cg_endo -75.01 105.09 2.02 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.48 1.779 . . . . 0.0 110.985 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.615 ' O ' ' HA ' ' A' ' 32' ' ' VAL . 0.0 OUTLIER -128.3 117.61 21.78 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.6 1.188 . . . . 0.0 110.351 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.922 HG23 ' HB ' ' A' ' 32' ' ' VAL . 1.0 OUTLIER -131.07 146.5 33.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.565 1.165 . . . . 0.0 109.36 179.907 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.605 ' N ' ' O ' ' A' ' 31' ' ' LEU . 18.9 mmtt -134.41 154.13 51.54 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 109.27 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.458 HG13 ' NE2' ' A' ' 13' ' ' GLN . 5.3 tp -116.35 119.18 61.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.422 1.077 . . . . 0.0 109.35 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 1.04 HD12 HD13 ' A' ' 31' ' ' LEU . 36.4 mt -120.99 136.7 54.92 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.538 1.149 . . . . 0.0 109.278 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.458 ' NE2' HG13 ' A' ' 11' ' ' ILE . 0.0 OUTLIER -108.72 143.2 38.16 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.462 1.101 . . . . 0.0 110.356 179.933 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.448 ' HB3' ' CB ' ' A' ' 27' ' ' GLN . 13.5 t -136.21 79.23 1.76 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.51 1.131 . . . . 0.0 109.911 -179.92 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 15.2 t -125.84 132.77 52.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.444 1.09 . . . . 0.0 110.055 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.402 ' O ' ' C ' ' A' ' 17' ' ' ASP . 0.1 OUTLIER -154.87 138.85 16.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 109.912 -179.914 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.402 ' C ' ' O ' ' A' ' 16' ' ' SER . 22.0 t70 -40.37 159.26 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.488 1.117 . . . . 0.0 109.325 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -101.62 -76.55 1.19 Allowed Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.485 1.116 . . . . 0.0 111.033 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 168.33 -107.61 0.28 Allowed Glycine 0 CA--C 1.531 1.084 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -102.64 -80.07 1.43 Allowed Glycine 0 CA--C 1.529 0.924 0 O-C-N 124.561 0.801 . . . . 0.0 111.107 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -83.58 176.8 8.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 0.784 . . . . 0.0 109.601 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER 69.36 127.39 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 111.021 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.93 154.01 42.54 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.438 1.757 . . . . 0.0 111.082 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.9 162.85 36.62 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.486 1.782 . . . . 0.0 111.026 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.48 ' OG1' ' N ' ' A' ' 26' ' ' ILE . 3.1 t -139.38 -177.67 5.03 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.436 1.085 . . . . 0.0 110.369 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.892 HD12 ' CE3' ' A' ' 80' ' ' TRP . 0.2 OUTLIER -140.5 137.29 36.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.523 1.139 . . . . 0.0 109.347 179.925 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.76 ' HA ' ' O ' ' A' ' 73' ' ' LEU . 4.0 mt-30 -124.27 99.95 6.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.415 1.072 . . . . 0.0 110.344 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 1.003 HD12 ' HG ' ' A' ' 73' ' ' LEU . 1.8 mt -97.75 96.69 8.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.584 1.178 . . . . 0.0 109.28 -179.92 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.545 ' HA ' ' HA ' ' A' ' 72' ' ' GLU . 9.9 mp -89.36 120.31 30.59 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.578 1.174 . . . . 0.0 109.272 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.487 ' HB2' ' CH2' ' A' ' 44' ' ' TRP . 0.5 OUTLIER -91.23 132.01 36.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.125 . . . . 0.0 108.356 179.964 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 1.04 HD13 HD12 ' A' ' 12' ' ' LEU . 2.5 mp -104.14 102.42 12.16 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.587 1.18 . . . . 0.0 109.278 -179.917 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 1.072 HG22 ' CE2' ' A' ' 35' ' ' TYR . 3.2 p -130.01 121.83 52.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.538 1.149 . . . . 0.0 109.301 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.915 ' CB ' ' HA ' ' A' ' 68' ' ' SER . 10.9 p -157.97 -176.82 6.14 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.493 1.121 . . . . 0.0 110.03 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.591 ' HA2' ' HB3' ' A' ' 66' ' ' LEU . . . 79.0 -44.5 2.61 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.41 1.069 . . . . 0.0 110.952 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 1.072 ' CE2' HG22 ' A' ' 32' ' ' VAL . 5.2 p90 -64.56 153.72 38.31 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.434 0.726 . . . . 0.0 110.874 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.898 ' O ' ' HB3' ' A' ' 67' ' ' ALA . 3.0 m 48.8 142.19 0.01 OUTLIER Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.466 1.104 . . . . 0.0 110.378 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.56 ' C ' ' HB2' ' A' ' 67' ' ' ALA . 18.4 Cg_endo -74.99 -11.02 21.47 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.444 1.76 . . . . 0.0 110.975 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.537 ' O ' ' CB ' ' A' ' 39' ' ' THR . . . -125.2 -54.12 0.17 Allowed Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.568 1.167 . . . . 0.0 110.967 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.717 ' O ' HG21 ' A' ' 36' ' ' THR . 0.9 OUTLIER 164.11 174.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 0.762 . . . . 0.0 110.468 -179.946 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.968 ' HB ' ' O ' ' A' ' 91' ' ' THR . 1.4 pt -120.35 -138.65 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.412 1.07 . . . . 0.0 109.272 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ASN . . . . . 0.885 ' C ' HD13 ' A' ' 42' ' ' ILE . 11.5 t-20 -120.42 160.04 23.89 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.496 1.122 . . . . 0.0 109.295 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.885 HD13 ' C ' ' A' ' 41' ' ' ASN . 0.3 OUTLIER -117.62 129.67 73.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.622 1.202 . . . . 0.0 109.337 179.914 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.569 ' C ' ' CD1' ' A' ' 44' ' ' TRP . 1.9 m -155.16 154.26 32.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.553 1.158 . . . . 0.0 110.316 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 1.008 ' CZ3' ' HB3' ' A' ' 88' ' ' CYS . 12.7 m95 -144.27 129.69 18.92 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 107.948 -1.13 . . . . 0.0 107.948 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -97.34 113.11 24.7 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.563 1.165 . . . . 0.0 109.394 179.901 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.428 ' HG2' ' N ' ' A' ' 47' ' ' ASP . 23.1 tt0 -101.71 142.11 33.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 110.293 -179.917 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.553 ' CB ' ' HB ' ' A' ' 85' ' ' THR . 0.1 OUTLIER -144.22 99.89 3.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.557 1.161 . . . . 0.0 109.3 -179.969 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.574 ' O ' ' CB ' ' A' ' 49' ' ' GLN . . . 145.58 71.62 0.02 OUTLIER Glycine 0 CA--C 1.531 1.073 0 O-C-N 124.536 1.148 . . . . 0.0 111.025 -179.893 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.574 ' CB ' ' O ' ' A' ' 48' ' ' GLY . 1.3 tp-100 93.24 110.49 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.563 0.802 . . . . 0.0 110.277 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 11.7 p -71.91 41.16 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.129 . . . . 0.0 109.373 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' MET . . . . . 0.555 ' H ' ' C ' ' A' ' 49' ' ' GLN . 0.0 OUTLIER -91.72 112.73 24.77 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.549 1.156 . . . . 0.0 111.073 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -65.47 65.89 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.525 1.141 . . . . 0.0 109.312 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.631 ' CG1' ' O ' ' A' ' 53' ' ' VAL . 0.9 OUTLIER -135.52 9.7 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.448 1.092 . . . . 0.0 109.363 179.957 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.481 ' HB2' ' HB2' ' A' ' 75' ' ' LEU . 7.3 t70 -141.63 88.16 2.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.439 1.087 . . . . 0.0 109.32 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 1.121 HD22 ' N ' ' A' ' 56' ' ' SER . 0.0 OUTLIER -133.72 148.02 51.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 109.244 179.965 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 56' ' ' SER . . . . . 1.121 ' N ' HD22 ' A' ' 55' ' ' LEU . 31.2 t -131.11 150.86 51.96 Favored 'General case' 0 N--CA 1.451 -0.397 0 O-C-N 124.343 1.027 . . . . 0.0 110.027 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.436 ' O ' ' N ' ' A' ' 72' ' ' GLU . 0.1 OUTLIER -138.81 152.87 48.24 Favored 'General case' 0 C--N 1.327 -0.383 0 O-C-N 124.539 1.149 . . . . 0.0 110.332 179.971 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 1.011 ' HB2' ' CB ' ' A' ' 71' ' ' SER . . . -133.02 152.66 51.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.571 1.169 . . . . 0.0 109.258 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' SER . . . . . 0.559 ' O ' ' HA ' ' A' ' 69' ' ' THR . 3.4 m -109.47 174.3 5.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.433 1.083 . . . . 0.0 109.956 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.462 ' HB ' HG21 ' A' ' 39' ' ' THR . 1.9 t -105.55 146.95 28.93 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.554 1.159 . . . . 0.0 110.341 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.483 ' OG1' ' C ' ' A' ' 68' ' ' SER . 0.8 OUTLIER -138.82 163.63 31.72 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.485 1.115 . . . . 0.0 110.336 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -108.98 126.32 52.98 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.555 1.16 . . . . 0.0 110.296 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -127.07 61.54 1.35 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.445 1.091 . . . . 0.0 110.308 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 70.74 -104.8 1.46 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.522 1.139 . . . . 0.0 111.02 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 34.3 tp10 -96.67 -1.65 46.23 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.467 0.746 . . . . 0.0 110.34 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.591 ' HB3' ' HA2' ' A' ' 34' ' ' GLY . 45.7 mt -112.45 -179.23 3.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.113 . . . . 0.0 109.325 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.898 ' HB3' ' O ' ' A' ' 36' ' ' THR . . . -135.4 122.08 20.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.573 1.171 . . . . 0.0 109.216 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.915 ' HA ' ' CB ' ' A' ' 33' ' ' SER . 10.1 t -92.99 179.04 5.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.434 1.084 . . . . 0.0 110.064 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.749 HG22 HG12 ' A' ' 32' ' ' VAL . 1.0 OUTLIER -169.9 132.25 1.11 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.109 . . . . 0.0 110.357 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.809 ' O ' ' HA ' ' A' ' 58' ' ' ALA . 1.7 tp60 -112.63 121.31 44.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.579 1.174 . . . . 0.0 110.271 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' SER . . . . . 1.011 ' CB ' ' HB2' ' A' ' 58' ' ' ALA . 0.7 OUTLIER -110.69 146.13 36.78 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.505 1.128 . . . . 0.0 110.009 179.964 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.545 ' HA ' ' HA ' ' A' ' 29' ' ' LEU . 0.0 OUTLIER -135.93 133.35 37.53 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.608 1.193 . . . . 0.0 110.34 -179.966 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 1.111 HD13 ' N ' ' A' ' 74' ' ' THR . 0.7 OUTLIER -109.71 144.48 38.03 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.414 1.071 . . . . 0.0 109.304 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 74' ' ' THR . . . . . 1.111 ' N ' HD13 ' A' ' 73' ' ' LEU . 1.0 OUTLIER -143.66 123.82 13.71 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 110.407 179.959 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.742 ' HG ' HG22 ' A' ' 26' ' ' ILE . 0.2 OUTLIER -156.08 163.19 39.96 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.454 1.096 . . . . 0.0 109.387 179.956 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.51 ' O ' HD12 ' A' ' 75' ' ' LEU . 1.1 t -77.41 134.35 38.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.112 . . . . 0.0 110.067 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 7.1 tp60 -61.83 -33.07 73.49 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.537 1.148 . . . . 0.0 110.323 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 18.9 tttt -53.14 -53.78 45.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.125 . . . . 0.0 109.349 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' HIS . . . . . 0.436 ' HB3' ' NE ' ' A' ' 84' ' ' ARG . 14.3 m-70 -53.35 -41.42 65.78 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.547 1.154 . . . . 0.0 109.633 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' TRP . . . . . 0.892 ' CE3' HD12 ' A' ' 26' ' ' ILE . 7.5 t-105 -59.38 -38.19 79.84 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.56 1.163 . . . . 0.0 107.974 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -57.35 -40.72 78.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.445 1.091 . . . . 0.0 109.3 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' SER . . . . . 0.494 ' O ' ' HB3' ' A' ' 83' ' ' ASP . 0.7 OUTLIER -77.41 6.74 6.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.443 1.089 . . . . 0.0 110.029 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 83' ' ' ASP . . . . . 0.494 ' HB3' ' O ' ' A' ' 82' ' ' SER . 0.0 OUTLIER 68.42 148.67 0.06 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.46 1.1 . . . . 0.0 109.278 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.438 ' NE ' ' O ' ' A' ' 48' ' ' GLY . 0.0 OUTLIER -168.63 -175.8 2.57 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.589 1.181 . . . . 0.0 110.28 179.881 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.553 ' HB ' ' CB ' ' A' ' 47' ' ' ASP . 1.0 OUTLIER -131.65 99.65 4.86 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.512 1.132 . . . . 0.0 110.337 -179.899 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.806 ' CZ ' ' CE3' ' A' ' 80' ' ' TRP . 0.0 OUTLIER -109.49 121.46 45.25 Favored 'General case' 0 C--N 1.327 -0.402 0 O-C-N 124.504 1.128 . . . . 0.0 110.985 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 87' ' ' THR . . . . . 1.405 ' HA ' ' CB ' ' A' ' 100' ' ' SER . 0.6 OUTLIER -139.42 132.29 29.25 Favored 'General case' 0 C--N 1.323 -0.567 0 O-C-N 124.502 1.127 . . . . 0.0 110.402 179.963 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 88' ' ' CYS . . . . . 1.008 ' HB3' ' CZ3' ' A' ' 44' ' ' TRP . 30.1 p -89.63 96.19 10.59 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.551 1.157 . . . . 0.0 108.31 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 89' ' ' GLN . . . . . 0.485 ' N ' ' O ' ' A' ' 43' ' ' THR . 1.7 tt0 -88.47 102.16 14.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.485 1.116 . . . . 0.0 110.363 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.854 HG12 ' CE1' ' A' ' 92' ' ' TYR . 31.2 t -93.86 132.35 38.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.418 1.074 . . . . 0.0 109.302 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.968 ' O ' ' HB ' ' A' ' 40' ' ' ILE . 0.3 OUTLIER -101.53 163.55 12.21 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.487 1.117 . . . . 0.0 110.331 -179.935 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 92' ' ' TYR . . . . . 0.854 ' CE1' HG12 ' A' ' 90' ' ' VAL . 3.6 m-85 -144.7 146.83 32.41 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.608 1.193 . . . . 0.0 110.932 -179.916 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -64.68 -6.36 7.68 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.506 1.129 . . . . 0.0 110.325 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -114.56 -20.9 5.65 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.415 1.072 . . . . 0.0 111.075 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' HIS . . . . . 0.451 ' O ' ' HB2' ' A' ' 92' ' ' TYR . 1.8 t-80 -175.15 -158.1 0.07 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.424 0.72 . . . . 0.0 109.553 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 13.4 t -150.14 164.77 34.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 110.369 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' PHE . . . . . 0.616 ' CD1' HG11 ' A' ' 9' ' ' VAL . 46.5 t80 -168.14 164.99 13.44 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.498 1.124 . . . . 0.0 110.964 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.682 ' HG2' HG22 ' A' ' 87' ' ' THR . 28.2 tt0 -156.35 146.47 21.31 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.553 1.158 . . . . 0.0 110.371 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 99' ' ' ASP . . . . . 0.561 ' O ' ' SG ' ' A' ' 88' ' ' CYS . 5.8 m-20 -160.01 129.93 5.37 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.618 1.199 . . . . 0.0 109.296 -179.904 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 100' ' ' SER . . . . . 1.405 ' CB ' ' HA ' ' A' ' 87' ' ' THR . 2.4 t -170.65 -149.21 0.06 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.477 1.111 . . . . 0.0 110.021 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 101' ' ' THR . . . . . 0.661 HG23 ' CD1' ' A' ' 86' ' ' TYR . 5.0 t -133.25 -177.87 4.72 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.531 1.145 . . . . 0.0 110.385 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.456 ' HA ' ' HA ' ' A' ' 85' ' ' THR . 0.0 OUTLIER -151.62 -166.82 2.61 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.566 1.167 . . . . 0.0 109.269 -179.947 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 103' ' ' LYS . . . . . 1.014 ' HG2' ' N ' ' A' ' 104' ' ' SER . 0.0 OUTLIER 57.6 -176.9 0.07 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.479 1.112 . . . . 0.0 109.22 179.848 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 104' ' ' SER . . . . . 1.014 ' N ' ' HG2' ' A' ' 103' ' ' LYS . 43.0 t -88.21 31.02 0.82 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.453 1.095 . . . . 0.0 110.08 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 105' ' ' ALA . . . . . 0.568 ' HB3' ' HD3' ' A' ' 103' ' ' LYS . . . . . . . . 0 C--N 1.326 -0.435 0 O-C-N 124.462 1.101 . . . . 0.0 109.377 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 54.7 m . . . . . 0 N--CA 1.453 -0.275 0 N-CA-C 110.001 -0.37 . . . . 0.0 110.001 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -179.46 53.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.107 . . . . 0.0 110.195 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.444 ' O ' ' O ' ' A' ' 4' ' ' PHE . 28.8 t70 -173.43 59.63 0.02 OUTLIER 'General case' 0 C--N 1.322 -0.605 0 O-C-N 124.613 1.196 . . . . 0.0 109.285 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.688 ' CE1' ' NE2' ' A' ' 93' ' ' GLN . 31.1 m-85 43.62 -171.1 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.532 1.145 . . . . 0.0 110.929 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.696 HG22 ' HD2' ' A' ' 6' ' ' PRO . 0.2 OUTLIER -85.21 172.55 8.58 Favored Pre-proline 0 C--N 1.326 -0.417 0 O-C-N 124.483 1.115 . . . . 0.0 110.405 179.966 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.696 ' HD2' HG22 ' A' ' 5' ' ' THR . 18.4 Cg_endo -74.94 113.08 3.71 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.51 1.795 . . . . 0.0 110.984 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.625 ' HA ' ' HB3' ' A' ' 35' ' ' TYR . 18.1 Cg_endo -75.04 159.59 41.02 Favored 'Trans proline' 0 C--N 1.357 1.023 0 O-C-N 124.563 1.823 . . . . 0.0 110.982 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.525 ' O ' ' HA ' ' A' ' 32' ' ' VAL . 0.0 OUTLIER -156.45 130.81 8.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.459 1.099 . . . . 0.0 110.405 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.9 HG11 ' CD2' ' A' ' 97' ' ' PHE . 2.4 p -132.35 140.6 47.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.537 1.148 . . . . 0.0 109.448 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.704 ' CB ' HD12 ' A' ' 31' ' ' LEU . 5.1 mmtt -138.45 156.68 47.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.294 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.54 ' CD1' ' SG ' ' A' ' 30' ' ' CYS . 0.4 OUTLIER -129.19 111.43 22.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.632 1.207 . . . . 0.0 109.275 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.937 HD12 HD21 ' A' ' 31' ' ' LEU . 83.1 mt -112.35 132.2 55.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.447 1.092 . . . . 0.0 109.261 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.622 ' HB3' HD23 ' A' ' 28' ' ' LEU . 0.0 OUTLIER -105.31 142.36 35.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.568 1.168 . . . . 0.0 110.301 179.964 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.496 ' HB3' ' CB ' ' A' ' 27' ' ' GLN . 0.3 OUTLIER -132.03 71.36 1.47 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.114 . . . . 0.0 110.014 -179.964 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.429 ' O ' ' N ' ' A' ' 17' ' ' ASP . 3.2 t -125.32 167.36 15.02 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.448 1.092 . . . . 0.0 109.912 -179.89 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.405 ' O ' ' O ' ' A' ' 17' ' ' ASP . 4.9 t 69.31 -59.34 0.49 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.441 1.088 . . . . 0.0 110.01 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.506 ' CG ' ' N ' ' A' ' 18' ' ' GLY . 0.1 OUTLIER 54.64 169.26 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.265 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.506 ' N ' ' CG ' ' A' ' 17' ' ' ASP . . . -128.24 167.51 20.45 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.596 1.185 . . . . 0.0 111.071 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 97.97 51.92 1.44 Allowed Glycine 0 CA--C 1.531 1.05 0 N-CA-C 110.933 -0.867 . . . . 0.0 110.933 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 62.04 163.41 0.29 Allowed Glycine 0 CA--C 1.531 1.063 0 N-CA-C 110.929 -0.869 . . . . 0.0 110.929 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' HIS . . . . . 0.413 ' C ' ' CG ' ' A' ' 22' ' ' PHE . 0.3 OUTLIER 63.88 -175.65 0.16 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.546 0.792 . . . . 0.0 109.631 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.422 ' HA ' ' HD3' ' A' ' 23' ' ' PRO . 64.3 m-85 -157.49 142.12 11.93 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 111.002 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.422 ' HD3' ' HA ' ' A' ' 22' ' ' PHE . 17.9 Cg_endo -75.0 119.9 5.84 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.527 1.804 . . . . 0.0 110.948 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.407 ' C ' ' HB2' ' A' ' 77' ' ' GLN . 18.4 Cg_endo -75.12 5.1 4.24 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.45 1.763 . . . . 0.0 110.923 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.936 HG22 ' HA ' ' A' ' 76' ' ' SER . 2.2 p -136.35 -167.74 2.11 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 110.473 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.979 HG21 HD23 ' A' ' 75' ' ' LEU . 1.2 tt -134.25 137.75 51.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.445 1.091 . . . . 0.0 109.304 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.514 ' HA ' ' O ' ' A' ' 73' ' ' LEU . 9.0 mt-30 -120.73 86.8 2.64 Favored 'General case' 0 C--N 1.323 -0.578 0 O-C-N 124.554 1.159 . . . . 0.0 110.332 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 1.0 HD12 HD22 ' A' ' 73' ' ' LEU . 0.3 OUTLIER -101.86 108.68 20.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.101 . . . . 0.0 109.325 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.715 ' HA ' ' HA ' ' A' ' 72' ' ' GLU . 0.5 OUTLIER -114.13 126.75 55.43 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 0.0 109.363 179.97 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.6 ' SG ' ' CH2' ' A' ' 44' ' ' TRP . 13.2 m -92.55 152.16 19.77 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.534 1.146 . . . . 0.0 108.419 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.937 HD21 HD12 ' A' ' 12' ' ' LEU . 0.0 OUTLIER -116.08 102.35 9.55 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.445 1.091 . . . . 0.0 109.325 -179.97 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 1.105 HG22 ' CE2' ' A' ' 35' ' ' TYR . 2.0 p -129.49 116.62 39.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 109.273 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.876 ' CB ' ' HA ' ' A' ' 68' ' ' SER . 6.8 p -155.79 -179.45 8.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.553 1.158 . . . . 0.0 109.921 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.642 ' CA ' HD23 ' A' ' 66' ' ' LEU . . . 80.91 -45.51 3.18 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.536 1.147 . . . . 0.0 110.928 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 1.105 ' CE2' HG22 ' A' ' 32' ' ' VAL . 2.6 p90 -61.85 152.13 32.52 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 0.779 . . . . 0.0 111.008 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.906 ' O ' ' HB3' ' A' ' 67' ' ' ALA . 1.9 m 48.98 140.39 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.585 1.178 . . . . 0.0 110.3 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.495 ' HD2' HG22 ' A' ' 36' ' ' THR . 18.3 Cg_endo -75.01 -14.07 21.22 Favored 'Trans proline' 0 C--N 1.362 1.24 0 O-C-N 124.396 1.735 . . . . 0.0 110.977 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.662 ' O ' HG22 ' A' ' 39' ' ' THR . . . -127.16 6.88 7.21 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.503 1.127 . . . . 0.0 111.053 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.714 ' O ' HG21 ' A' ' 36' ' ' THR . 0.7 OUTLIER 94.32 -169.95 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.499 0.764 . . . . 0.0 110.39 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.929 ' HB ' ' O ' ' A' ' 91' ' ' THR . 0.8 OUTLIER -131.51 -139.88 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 O-C-N 124.548 1.155 . . . . 0.0 109.311 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ASN . . . . . 0.465 ' CB ' ' HB ' ' A' ' 91' ' ' THR . 0.3 OUTLIER -116.81 156.67 26.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.55 1.156 . . . . 0.0 109.216 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.976 HG21 ' HB3' ' A' ' 58' ' ' ALA . 4.2 mt -119.41 125.9 74.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.463 1.102 . . . . 0.0 109.354 179.854 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.567 ' C ' ' CD1' ' A' ' 44' ' ' TRP . 4.3 m -149.13 162.51 39.82 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.552 1.157 . . . . 0.0 110.426 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 1.013 ' CZ3' ' HB3' ' A' ' 88' ' ' CYS . 20.3 m95 -147.81 131.25 16.67 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.548 1.155 . . . . 0.0 107.983 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.413 ' N ' ' O ' ' A' ' 87' ' ' THR . 13.4 tp -99.5 107.93 20.24 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.526 1.141 . . . . 0.0 109.379 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.839 ' OE2' HG23 ' A' ' 50' ' ' VAL . 0.1 OUTLIER -98.99 151.87 20.44 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 110.306 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.513 ' HB2' ' CG2' ' A' ' 85' ' ' THR . 0.4 OUTLIER -151.56 102.56 2.89 Favored 'General case' 0 C--N 1.327 -0.408 0 O-C-N 124.535 1.147 . . . . 0.0 109.283 179.995 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 146.68 43.76 0.04 OUTLIER Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.432 1.082 . . . . 0.0 110.967 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 66.64 77.01 0.29 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.459 0.74 . . . . 0.0 110.248 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.839 HG23 ' OE2' ' A' ' 46' ' ' GLU . 8.7 p -86.36 43.98 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 109.333 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 10.5 ptp -86.32 -26.63 24.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 110.972 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -64.12 -153.05 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.519 1.137 . . . . 0.0 109.273 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.811 ' O ' HG12 ' A' ' 53' ' ' VAL . 15.2 t -110.88 28.53 2.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 O-C-N 124.456 1.097 . . . . 0.0 109.29 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.471 ' CB ' ' HB2' ' A' ' 75' ' ' LEU . 0.4 OUTLIER -92.28 98.0 11.23 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.571 1.17 . . . . 0.0 109.292 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 1.088 HD22 ' N ' ' A' ' 56' ' ' SER . 0.0 OUTLIER -138.64 161.07 38.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.217 -179.958 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 56' ' ' SER . . . . . 1.088 ' N ' HD22 ' A' ' 55' ' ' LEU . 0.7 OUTLIER -127.29 131.86 50.41 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.413 1.071 . . . . 0.0 109.97 -179.979 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -131.41 159.9 36.66 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.496 1.123 . . . . 0.0 110.404 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.976 ' HB3' HG21 ' A' ' 42' ' ' ILE . . . -132.51 154.77 49.61 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.392 1.057 . . . . 0.0 109.295 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' SER . . . . . 0.546 ' O ' ' HA ' ' A' ' 69' ' ' THR . 2.2 t -107.14 169.55 8.49 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.471 1.107 . . . . 0.0 109.975 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.631 ' CG2' HG21 ' A' ' 39' ' ' THR . 2.8 m -107.76 146.48 32.11 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.515 1.134 . . . . 0.0 110.479 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.535 ' OG1' ' CB ' ' A' ' 68' ' ' SER . 0.6 OUTLIER -137.32 157.75 45.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 110.399 -179.954 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 13.1 pt20 -118.17 134.27 55.16 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 110.288 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 -139.6 63.45 1.49 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.452 1.095 . . . . 0.0 110.202 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 71.79 -106.68 1.97 Allowed Glycine 0 CA--C 1.528 0.862 0 O-C-N 124.576 1.173 . . . . 0.0 111.094 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 9.7 tt0 -96.07 -1.86 47.87 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.416 0.715 . . . . 0.0 110.337 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.642 HD23 ' CA ' ' A' ' 34' ' ' GLY . 2.9 mp -105.18 166.34 10.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.105 . . . . 0.0 109.331 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.906 ' HB3' ' O ' ' A' ' 36' ' ' THR . . . -133.43 119.09 19.18 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.515 1.134 . . . . 0.0 109.243 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.876 ' HA ' ' CB ' ' A' ' 33' ' ' SER . 10.3 t -96.37 175.11 6.55 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.418 1.074 . . . . 0.0 109.979 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.742 ' HB ' ' OH ' ' A' ' 35' ' ' TYR . 1.2 m -171.38 119.54 0.48 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.491 1.12 . . . . 0.0 110.361 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.662 ' O ' ' HA ' ' A' ' 58' ' ' ALA . 4.9 tt0 -96.73 120.44 37.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.434 1.084 . . . . 0.0 110.291 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.738 ' HA ' ' CB ' ' A' ' 58' ' ' ALA . 0.3 OUTLIER -104.72 140.0 38.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.605 1.191 . . . . 0.0 109.956 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.715 ' HA ' ' HA ' ' A' ' 29' ' ' LEU . 19.1 tt0 -134.38 160.66 37.28 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 110.325 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 1.0 HD22 HD12 ' A' ' 28' ' ' LEU . 10.5 tt -141.18 139.79 33.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.542 1.151 . . . . 0.0 109.342 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.461 ' O ' ' HA ' ' A' ' 54' ' ' ASP . 0.0 OUTLIER -139.37 114.52 9.61 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 110.34 -179.946 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.979 HD23 HG21 ' A' ' 26' ' ' ILE . 0.1 OUTLIER -141.83 159.17 42.78 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.405 1.066 . . . . 0.0 109.321 179.964 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.936 ' HA ' HG22 ' A' ' 25' ' ' THR . 67.4 m -84.69 138.71 32.5 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.12 . . . . 0.0 110.03 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' GLN . . . . . 0.407 ' HB2' ' C ' ' A' ' 24' ' ' PRO . 13.9 tm0? -57.28 -28.21 62.81 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.461 1.101 . . . . 0.0 110.303 179.88 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 14.5 tptp -53.12 -58.68 6.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.639 1.212 . . . . 0.0 109.29 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 32.5 m80 -55.82 -41.18 73.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.39 1.056 . . . . 0.0 109.653 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' TRP . . . . . 0.919 ' CZ3' ' CZ ' ' A' ' 86' ' ' TYR . 18.0 t-105 -57.28 -40.6 78.09 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.459 ' C ' ' H ' ' A' ' 83' ' ' ASP . 0.3 OUTLIER -70.15 -40.3 74.83 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.61 1.194 . . . . 0.0 109.291 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -79.78 23.01 0.45 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.904 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' ASP . . . . . 0.512 ' CB ' ' HA ' ' A' ' 104' ' ' SER . 0.0 OUTLIER 63.22 148.07 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.557 1.161 . . . . 0.0 109.255 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.514 ' CZ ' ' CD ' ' A' ' 46' ' ' GLU . 0.1 OUTLIER -177.33 174.9 1.54 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.457 1.098 . . . . 0.0 110.303 179.967 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.513 ' CG2' ' HB2' ' A' ' 47' ' ' ASP . 0.9 OUTLIER -135.12 118.89 17.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 110.432 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.919 ' CZ ' ' CZ3' ' A' ' 80' ' ' TRP . 0.0 OUTLIER -121.1 122.43 40.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.422 1.076 . . . . 0.0 110.912 -179.91 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 87' ' ' THR . . . . . 1.41 ' HA ' ' CB ' ' A' ' 100' ' ' SER . 1.1 m -145.15 128.91 17.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.438 1.086 . . . . 0.0 110.384 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 88' ' ' CYS . . . . . 1.013 ' HB3' ' CZ3' ' A' ' 44' ' ' TRP . 13.7 p -94.86 101.4 13.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 108.277 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 89' ' ' GLN . . . . . 0.452 ' N ' ' O ' ' A' ' 43' ' ' THR . 49.5 tt0 -87.98 104.44 16.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 110.32 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 1.068 HG12 ' CE1' ' A' ' 92' ' ' TYR . 4.0 t -93.4 125.65 45.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.462 1.101 . . . . 0.0 109.293 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.929 ' O ' ' HB ' ' A' ' 40' ' ' ILE . 1.0 OUTLIER -96.03 165.4 12.27 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.58 1.175 . . . . 0.0 110.366 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 92' ' ' TYR . . . . . 1.068 ' CE1' HG12 ' A' ' 90' ' ' VAL . 25.0 m-85 -145.8 140.65 27.26 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.482 1.114 . . . . 0.0 110.946 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 93' ' ' GLN . . . . . 0.688 ' NE2' ' CE1' ' A' ' 4' ' ' PHE . 10.4 pt20 -56.42 -11.58 1.31 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.425 1.078 . . . . 0.0 110.261 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 94' ' ' GLY . . . . . 0.406 ' N ' ' C ' ' A' ' 92' ' ' TYR . . . -109.37 -28.37 4.37 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.502 1.126 . . . . 0.0 111.105 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 95' ' ' HIS . . . . . 0.504 ' O ' ' N ' ' A' ' 92' ' ' TYR . 1.1 t-160 -167.83 -151.5 0.11 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 0.766 . . . . 0.0 109.625 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 6.0 t -155.06 161.54 41.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.549 1.155 . . . . 0.0 110.38 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' PHE . . . . . 0.9 ' CD2' HG11 ' A' ' 9' ' ' VAL . 73.1 t80 -155.99 168.5 27.06 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.579 1.175 . . . . 0.0 110.925 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.812 ' HG2' HG22 ' A' ' 87' ' ' THR . 25.2 tt0 -144.81 142.98 30.4 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.513 1.133 . . . . 0.0 110.346 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 99' ' ' ASP . . . . . 0.561 ' O ' ' SG ' ' A' ' 88' ' ' CYS . 0.1 OUTLIER -155.99 119.89 4.45 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.548 1.155 . . . . 0.0 109.334 179.882 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 100' ' ' SER . . . . . 1.41 ' CB ' ' HA ' ' A' ' 87' ' ' THR . 0.8 OUTLIER -170.74 -151.36 0.08 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 0.0 110.011 -179.938 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 101' ' ' THR . . . . . 0.741 HG23 ' CD1' ' A' ' 86' ' ' TYR . 4.4 t -142.64 -179.7 6.47 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.48 1.113 . . . . 0.0 110.42 -179.892 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.432 ' N ' ' OG1' ' A' ' 101' ' ' THR . 5.0 pttp -162.62 143.94 10.2 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.527 1.142 . . . . 0.0 109.299 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 103' ' ' LYS . . . . . 0.65 ' NZ ' ' HE1' ' A' ' 80' ' ' TRP . 0.0 OUTLIER -148.92 166.84 27.39 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 0.0 109.314 -179.992 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 104' ' ' SER . . . . . 0.512 ' HA ' ' CB ' ' A' ' 83' ' ' ASP . 8.4 t -134.56 43.77 2.73 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.551 1.157 . . . . 0.0 109.97 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 105' ' ' ALA . . . . . 0.451 ' H ' ' CG ' ' A' ' 103' ' ' LYS . . . . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.501 1.126 . . . . 0.0 109.325 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.551 ' O ' ' HA ' ' A' ' 32' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.269 0 N-CA-C 110.343 -0.243 . . . . 0.0 110.343 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.717 HG23 ' HB ' ' A' ' 32' ' ' VAL . 2.5 p -129.22 145.81 35.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.544 1.153 . . . . 0.0 109.341 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.55 ' HB2' ' CD1' ' A' ' 31' ' ' LEU . 0.0 OUTLIER -134.23 166.83 21.88 Favored 'General case' 0 C--N 1.323 -0.565 0 O-C-N 124.568 1.168 . . . . 0.0 109.323 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.582 HD12 ' OE1' ' A' ' 13' ' ' GLN . 0.0 OUTLIER -130.12 120.59 49.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 109.39 -179.928 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.693 ' HB2' HD12 ' A' ' 29' ' ' LEU . 22.3 mt -123.16 129.31 51.25 Favored 'General case' 0 C--N 1.323 -0.583 0 O-C-N 124.584 1.178 . . . . 0.0 109.3 -179.899 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . 0.592 ' HB3' HD23 ' A' ' 28' ' ' LEU . 0.0 OUTLIER -106.94 140.52 39.62 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.554 1.159 . . . . 0.0 110.299 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.459 ' HB3' ' CB ' ' A' ' 27' ' ' GLN . 0.1 OUTLIER -134.23 75.43 1.59 Allowed 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.41 1.069 . . . . 0.0 110.073 179.919 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 23.5 p . . . . . 0 C--N 1.326 -0.414 0 O-C-N 124.543 1.152 . . . . 0.0 109.935 -179.988 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.404 ' HA ' ' N ' ' A' ' 77' ' ' GLN . 53.0 p . . . . . 0 N--CA 1.454 -0.27 0 N-CA-C 110.431 -0.211 . . . . 0.0 110.431 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.905 HD12 ' CE3' ' A' ' 80' ' ' TRP . 0.1 OUTLIER -134.0 131.75 55.96 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 O-C-N 124.674 1.234 . . . . 0.0 109.357 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.595 ' HA ' ' O ' ' A' ' 73' ' ' LEU . 0.7 OUTLIER -117.86 81.58 1.69 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.621 1.2 . . . . 0.0 110.276 -179.931 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.903 HD11 HD13 ' A' ' 26' ' ' ILE . 1.6 mt -96.39 103.42 15.32 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.58 1.175 . . . . 0.0 109.272 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.713 ' HA ' ' HA ' ' A' ' 72' ' ' GLU . 2.0 pp -111.73 125.83 54.4 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.496 1.123 . . . . 0.0 109.323 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.501 ' HB2' ' HB2' ' A' ' 71' ' ' SER . 33.0 m -92.29 155.55 17.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.61 1.193 . . . . 0.0 108.192 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.829 ' C ' HD22 ' A' ' 31' ' ' LEU . 0.0 OUTLIER -115.98 103.87 11.02 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.567 1.167 . . . . 0.0 109.375 179.954 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 1.116 HG22 ' CE2' ' A' ' 35' ' ' TYR . 1.6 p -127.55 116.87 45.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.599 1.187 . . . . 0.0 109.347 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.853 ' CB ' ' HA ' ' A' ' 68' ' ' SER . 56.4 p -151.86 -179.05 7.12 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.442 1.089 . . . . 0.0 110.112 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.511 ' HA2' ' CB ' ' A' ' 66' ' ' LEU . . . 83.3 -49.88 4.31 Favored Glycine 0 CA--C 1.532 1.125 0 O-C-N 124.505 1.128 . . . . 0.0 110.951 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 1.116 ' CE2' HG22 ' A' ' 32' ' ' VAL . 4.7 p90 -62.24 153.05 31.71 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.563 0.802 . . . . 0.0 110.998 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.673 HG21 ' O ' ' A' ' 39' ' ' THR . 2.9 m 50.18 144.93 0.02 OUTLIER Pre-proline 0 C--N 1.324 -0.531 0 O-C-N 124.667 1.229 . . . . 0.0 110.446 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.658 ' HD2' HG22 ' A' ' 36' ' ' THR . 18.1 Cg_endo -75.02 -16.89 19.91 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.64 1.863 . . . . 0.0 111.004 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.604 ' O ' ' CB ' ' A' ' 39' ' ' THR . . . -121.22 -49.53 0.27 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.503 1.127 . . . . 0.0 110.994 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.697 ' OG1' HG23 ' A' ' 60' ' ' THR . 1.0 OUTLIER 159.2 171.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.456 0.739 . . . . 0.0 110.334 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.91 ' HB ' ' O ' ' A' ' 91' ' ' THR . 1.0 OUTLIER -111.75 -139.38 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.589 1.181 . . . . 0.0 109.272 -179.902 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . 0.572 ' O ' HD13 ' A' ' 42' ' ' ILE . 0.2 OUTLIER -111.15 155.22 23.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.623 1.202 . . . . 0.0 109.356 179.895 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.827 HG21 ' CB ' ' A' ' 58' ' ' ALA . 3.6 mm -122.17 121.57 64.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 109.306 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.481 ' C ' ' CD1' ' A' ' 44' ' ' TRP . 2.4 m -155.56 157.53 36.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.44 1.087 . . . . 0.0 110.509 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 1.039 ' CZ3' ' HB3' ' A' ' 88' ' ' CYS . 13.8 m95 -140.13 128.08 22.1 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 108.056 -1.091 . . . . 0.0 108.056 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -86.5 110.27 19.65 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.502 1.126 . . . . 0.0 109.277 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -99.38 140.32 33.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.441 1.088 . . . . 0.0 110.362 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.507 ' CB ' ' HB ' ' A' ' 85' ' ' THR . 0.3 OUTLIER . . . . . 0 C--N 1.326 -0.439 0 O-C-N 124.533 1.146 . . . . 0.0 109.318 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.465 ' CB ' ' HB2' ' A' ' 75' ' ' LEU . 1.2 p-10 . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.23 -0.656 . . . . 0.0 109.23 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 1.126 HD22 ' N ' ' A' ' 56' ' ' SER . 0.0 OUTLIER -137.48 159.36 42.16 Favored 'General case' 0 C--N 1.327 -0.397 0 O-C-N 124.429 1.081 . . . . 0.0 109.258 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 1.126 ' N ' HD22 ' A' ' 55' ' ' LEU . 0.0 OUTLIER -123.32 130.63 52.99 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.446 1.091 . . . . 0.0 110.056 -179.963 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.464 ' O ' ' N ' ' A' ' 72' ' ' GLU . 0.2 OUTLIER -130.64 157.69 42.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.115 . . . . 0.0 110.371 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.827 ' CB ' HG21 ' A' ' 42' ' ' ILE . . . -128.9 153.15 47.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.396 1.06 . . . . 0.0 109.369 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . 0.573 ' N ' ' O ' ' A' ' 70' ' ' GLN . 0.0 OUTLIER -105.11 164.62 11.68 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 0.0 109.923 -179.943 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . 0.697 HG23 ' OG1' ' A' ' 39' ' ' THR . 2.4 m -107.63 141.48 39.05 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 110.382 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . 0.824 ' OG1' ' O ' ' A' ' 68' ' ' SER . 0.0 OUTLIER -144.1 160.36 41.05 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.556 1.16 . . . . 0.0 110.465 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 15.0 pt20 -104.98 130.32 53.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.399 1.062 . . . . 0.0 110.148 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -126.91 60.59 1.36 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.567 1.167 . . . . 0.0 110.322 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 72.09 -105.77 1.77 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.379 1.05 . . . . 0.0 110.864 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -98.8 -1.1 41.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.439 0.729 . . . . 0.0 110.311 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.511 ' CB ' ' HA2' ' A' ' 34' ' ' GLY . 0.1 OUTLIER -111.86 179.41 4.02 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.579 1.175 . . . . 0.0 109.274 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.641 ' HB3' ' O ' ' A' ' 36' ' ' THR . . . -128.42 120.09 26.24 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.444 1.09 . . . . 0.0 109.412 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . 0.853 ' HA ' ' CB ' ' A' ' 33' ' ' SER . 23.1 t -104.13 120.34 40.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.639 1.212 . . . . 0.0 109.905 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.812 ' HB ' ' OH ' ' A' ' 35' ' ' TYR . 0.8 OUTLIER -123.01 118.51 27.94 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.399 1.062 . . . . 0.0 110.412 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.601 ' O ' ' HA ' ' A' ' 58' ' ' ALA . 7.8 pt20 -91.71 126.22 36.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.377 1.048 . . . . 0.0 110.256 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.737 ' HA ' ' CB ' ' A' ' 58' ' ' ALA . 0.8 OUTLIER -106.86 140.91 38.94 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.437 1.086 . . . . 0.0 110.14 179.955 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.713 ' HA ' ' HA ' ' A' ' 29' ' ' LEU . 0.5 OUTLIER -134.02 155.24 50.34 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.1 . . . . 0.0 110.286 -179.963 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 1.036 HD12 ' CE3' ' A' ' 44' ' ' TRP . 9.1 tt -134.26 138.13 44.82 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.542 1.151 . . . . 0.0 109.377 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.432 ' O ' ' HA ' ' A' ' 54' ' ' ASP . 0.0 OUTLIER -137.05 116.13 12.45 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.381 1.051 . . . . 0.0 110.467 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.816 HD12 ' O ' ' A' ' 76' ' ' SER . 0.4 OUTLIER -142.84 145.29 33.03 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.559 1.162 . . . . 0.0 109.36 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . 0.816 ' O ' HD12 ' A' ' 75' ' ' LEU . 5.1 t -66.53 136.47 55.7 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.448 1.092 . . . . 0.0 109.965 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . 0.404 ' N ' ' HA ' ' A' ' 25' ' ' THR . 8.6 tp60 -57.71 -32.5 67.44 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 110.37 179.882 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 9.5 tttp -52.86 -51.3 61.55 Favored 'General case' 0 C--N 1.323 -0.563 0 O-C-N 124.6 1.187 . . . . 0.0 109.274 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . 0.78 ' CD2' HH21 ' A' ' 84' ' ' ARG . 0.3 OUTLIER -58.69 -39.72 81.53 Favored 'General case' 0 N--CA 1.45 -0.435 0 O-C-N 124.577 1.173 . . . . 0.0 109.753 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' TRP . . . . . 0.905 ' CE3' HD12 ' A' ' 26' ' ' ILE . 28.2 t-105 -60.86 -33.77 73.59 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 107.994 -1.113 . . . . 0.0 107.994 179.902 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 4.4 tt -65.6 -38.61 89.97 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.452 1.095 . . . . 0.0 109.295 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 3.2 m -78.09 6.11 8.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.654 1.221 . . . . 0.0 109.918 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . 0.493 ' O ' ' HD2' ' A' ' 84' ' ' ARG . 0.0 OUTLIER 66.88 151.46 0.07 Allowed 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.463 1.102 . . . . 0.0 109.438 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.78 HH21 ' CD2' ' A' ' 79' ' ' HIS . 0.6 OUTLIER -173.11 -173.87 0.99 Allowed 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.613 1.196 . . . . 0.0 110.351 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . 0.507 ' HB ' ' CB ' ' A' ' 47' ' ' ASP . 0.9 OUTLIER -138.65 103.46 4.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.39 1.056 . . . . 0.0 110.451 179.972 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . 0.857 ' CE1' ' CZ3' ' A' ' 80' ' ' TRP . 0.0 OUTLIER -107.97 135.49 49.26 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.508 1.13 . . . . 0.0 110.942 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . 1.167 ' HA ' ' CB ' ' A' ' 100' ' ' SER . 0.2 OUTLIER -149.29 124.79 10.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.353 1.033 . . . . 0.0 110.417 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' CYS . . . . . 1.039 ' HB3' ' CZ3' ' A' ' 44' ' ' TRP . 9.9 p -83.51 97.56 9.08 Favored 'General case' 0 C--N 1.323 -0.583 0 O-C-N 124.475 1.109 . . . . 0.0 108.259 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . 0.543 ' HA ' ' O ' ' A' ' 97' ' ' PHE . 19.6 tt0 -89.48 103.24 15.9 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.568 1.168 . . . . 0.0 110.305 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 1.026 HG11 HG21 ' A' ' 32' ' ' VAL . 4.1 t -94.76 125.7 47.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.614 1.196 . . . . 0.0 109.283 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . 0.91 ' O ' ' HB ' ' A' ' 40' ' ' ILE . 0.9 OUTLIER -97.84 169.09 9.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.386 1.054 . . . . 0.0 110.421 179.954 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . 0.902 ' CE1' HG12 ' A' ' 90' ' ' VAL . 18.3 m-85 -145.9 159.16 43.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 0.0 111.088 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . 0.479 ' CD ' HG23 ' A' ' 36' ' ' THR . 2.6 mt-30 -45.8 -27.57 0.87 Allowed 'General case' 0 C--N 1.322 -0.613 0 O-C-N 124.511 1.132 . . . . 0.0 110.248 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -157.7 35.76 0.54 Allowed Glycine 0 CA--C 1.529 0.913 0 O-C-N 124.502 1.126 . . . . 0.0 110.975 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' HIS . . . . . 0.479 ' CA ' ' HB2' ' A' ' 92' ' ' TYR . 2.0 t-80 -159.55 173.46 16.12 Favored 'General case' 0 N--CA 1.45 -0.441 0 O-C-N 124.374 0.691 . . . . 0.0 109.605 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 6.1 t -160.58 166.12 29.56 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.64 1.212 . . . . 0.0 110.445 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . 0.652 ' CD1' HG11 ' A' ' 9' ' ' VAL . 2.3 t80 -169.1 167.94 10.26 Favored 'General case' 0 C--N 1.323 -0.564 0 O-C-N 124.471 1.107 . . . . 0.0 111.001 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . 0.52 ' HG2' ' CG2' ' A' ' 87' ' ' THR . 8.6 tt0 -156.59 129.07 7.59 Favored 'General case' 0 C--N 1.323 -0.558 0 O-C-N 124.463 1.102 . . . . 0.0 110.324 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . 0.624 ' O ' ' SG ' ' A' ' 88' ' ' CYS . 66.7 m-20 -154.51 126.74 7.83 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.15 . . . . 0.0 109.276 179.873 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . 1.167 ' CB ' ' HA ' ' A' ' 87' ' ' THR . 46.6 t -166.52 -142.01 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.335 1.022 . . . . 0.0 110.043 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . 0.77 HG23 ' CD1' ' A' ' 86' ' ' TYR . 9.2 t -133.41 176.61 8.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.457 1.098 . . . . 0.0 110.411 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.516 0 O-C-N 124.576 1.172 . . . . 0.0 109.358 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.571 ' O ' ' HA ' ' A' ' 32' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.247 0 CA-C-O 120.518 0.199 . . . . 0.0 110.528 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.718 HG11 ' CG ' ' A' ' 97' ' ' PHE . 5.0 p -135.39 135.31 51.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 O-C-N 124.472 1.107 . . . . 0.0 109.265 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.788 ' CG ' HD12 ' A' ' 31' ' ' LEU . 11.1 mmmt -141.16 174.42 10.54 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.565 1.166 . . . . 0.0 109.384 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.552 ' CG1' ' O ' ' A' ' 99' ' ' ASP . 0.2 OUTLIER -128.47 126.89 66.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 O-C-N 124.404 1.065 . . . . 0.0 109.354 179.906 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.628 ' HB2' HD12 ' A' ' 29' ' ' LEU . 46.8 mt -120.87 127.4 51.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.454 1.096 . . . . 0.0 109.279 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -107.29 140.07 40.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.442 1.088 . . . . 0.0 110.386 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.491 ' HB3' ' CB ' ' A' ' 27' ' ' GLN . 0.2 OUTLIER -132.04 69.8 1.47 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.417 1.073 . . . . 0.0 109.961 -179.884 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 44.0 p . . . . . 0 C--N 1.326 -0.416 0 O-C-N 124.433 1.083 . . . . 0.0 110.005 -179.934 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 29.7 p . . . . . 0 N--CA 1.453 -0.3 0 CA-C-O 120.622 0.249 . . . . 0.0 110.381 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.936 HD12 ' CE3' ' A' ' 80' ' ' TRP . 0.4 OUTLIER -137.68 130.89 42.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 O-C-N 124.442 1.089 . . . . 0.0 109.293 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.526 ' HA ' ' O ' ' A' ' 73' ' ' LEU . 0.3 OUTLIER -117.59 86.07 2.45 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.57 1.169 . . . . 0.0 110.362 179.948 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.913 HD11 HD13 ' A' ' 26' ' ' ILE . 2.9 mt -101.11 105.76 16.95 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.558 1.161 . . . . 0.0 109.282 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.81 ' HA ' ' HA ' ' A' ' 72' ' ' GLU . 0.3 OUTLIER -110.36 134.76 51.98 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.528 1.142 . . . . 0.0 109.339 179.918 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.496 ' SG ' ' O ' ' A' ' 10' ' ' LYS . 0.1 OUTLIER -90.74 162.52 14.85 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.474 1.109 . . . . 0.0 108.387 179.927 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 1.01 HD13 ' O ' ' A' ' 31' ' ' LEU . 0.2 OUTLIER -127.65 102.65 6.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.605 1.191 . . . . 0.0 109.246 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 1.185 HG22 ' CE2' ' A' ' 35' ' ' TYR . 1.5 p -136.58 110.78 9.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 O-C-N 124.53 1.143 . . . . 0.0 109.227 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.863 ' CB ' ' HA ' ' A' ' 68' ' ' SER . 17.8 p -150.35 -179.03 6.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.581 1.176 . . . . 0.0 109.955 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.701 ' HA2' ' HB2' ' A' ' 66' ' ' LEU . . . 80.48 -46.66 3.3 Favored Glycine 0 CA--C 1.529 0.925 0 O-C-N 124.43 1.081 . . . . 0.0 111.009 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 1.185 ' CE2' HG22 ' A' ' 32' ' ' VAL . 14.7 p90 -65.67 152.43 44.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 0.752 . . . . 0.0 110.988 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.76 HG21 ' O ' ' A' ' 39' ' ' THR . 4.1 m 49.56 139.64 0.01 OUTLIER Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.59 1.181 . . . . 0.0 110.376 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.458 ' HD3' ' HA ' ' A' ' 36' ' ' THR . 17.9 Cg_endo -75.09 -14.44 20.95 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.498 1.788 . . . . 0.0 110.981 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.655 ' O ' ' CB ' ' A' ' 39' ' ' THR . . . -125.42 0.17 8.04 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.528 1.142 . . . . 0.0 110.984 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.76 ' O ' HG21 ' A' ' 36' ' ' THR . 0.7 OUTLIER 95.12 -168.24 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.451 0.736 . . . . 0.0 110.363 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.901 ' HB ' ' O ' ' A' ' 91' ' ' THR . 1.3 pt -128.47 -142.23 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.49 1.119 . . . . 0.0 109.394 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . 0.404 ' HB3' ' HB ' ' A' ' 91' ' ' THR . 58.8 t30 -108.58 153.6 23.15 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.31 1.006 . . . . 0.0 109.319 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.969 HG21 ' HB3' ' A' ' 58' ' ' ALA . 7.1 mt -117.33 128.02 74.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.552 1.157 . . . . 0.0 109.291 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.486 ' C ' ' CD1' ' A' ' 44' ' ' TRP . 7.6 m -157.65 163.65 38.01 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.112 . . . . 0.0 110.44 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 1.009 ' CZ3' ' HB3' ' A' ' 88' ' ' CYS . 19.2 m95 -143.0 130.65 21.34 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 124.516 1.135 . . . . 0.0 108.035 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.616 HD23 ' OE2' ' A' ' 98' ' ' GLU . 8.2 tp -84.32 104.79 14.64 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.617 1.198 . . . . 0.0 109.338 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.459 ' HG2' ' NH1' ' A' ' 84' ' ' ARG . 5.6 tm-20 -98.43 142.12 30.45 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.469 1.105 . . . . 0.0 110.339 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.53 ' CB ' ' HB ' ' A' ' 85' ' ' THR . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 109.425 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.528 ' HA ' ' O ' ' A' ' 74' ' ' THR . 1.1 t0 . . . . . 0 N--CA 1.451 -0.395 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 1.132 HD22 ' N ' ' A' ' 56' ' ' SER . 0.0 OUTLIER -140.0 163.35 32.92 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 109.397 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 1.132 ' N ' HD22 ' A' ' 55' ' ' LEU . 0.0 OUTLIER -127.92 133.81 49.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.564 1.165 . . . . 0.0 110.002 -179.939 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -133.34 156.71 47.13 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.523 1.139 . . . . 0.0 110.374 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.969 ' HB3' HG21 ' A' ' 42' ' ' ILE . . . -133.69 150.71 51.54 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.673 1.233 . . . . 0.0 109.352 179.843 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . 0.635 ' O ' ' HA ' ' A' ' 69' ' ' THR . 0.4 OUTLIER -109.84 146.4 35.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 0.0 110.011 179.954 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . 0.416 ' CB ' HG21 ' A' ' 39' ' ' THR . 2.0 t -104.63 144.29 31.91 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.396 1.06 . . . . 0.0 110.472 179.883 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . 0.716 ' OG1' ' O ' ' A' ' 68' ' ' SER . 1.2 p -138.86 159.44 42.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 110.41 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 34.2 tt0 -100.73 121.71 42.13 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.367 1.042 . . . . 0.0 110.248 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.585 ' O ' ' HG ' ' A' ' 66' ' ' LEU . 1.0 OUTLIER -120.33 60.82 0.87 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 0.0 110.247 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 75.66 -102.84 1.56 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.377 1.048 . . . . 0.0 110.981 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -101.87 -1.65 31.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 0.784 . . . . 0.0 110.277 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.701 ' HB2' ' HA2' ' A' ' 34' ' ' GLY . 0.3 OUTLIER -112.23 177.91 4.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 109.364 179.919 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.717 ' CB ' ' O ' ' A' ' 36' ' ' THR . . . -135.81 121.12 19.12 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.458 1.099 . . . . 0.0 109.203 -179.884 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . 0.863 ' HA ' ' CB ' ' A' ' 33' ' ' SER . 19.1 t -101.98 118.77 37.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.954 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.635 ' HA ' ' O ' ' A' ' 59' ' ' SER . 0.9 OUTLIER -123.76 113.9 19.19 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.53 1.144 . . . . 0.0 110.424 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.564 ' O ' ' HA ' ' A' ' 58' ' ' ALA . 6.0 pt20 -97.78 125.81 42.8 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.625 1.203 . . . . 0.0 110.31 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.823 ' HA ' ' CB ' ' A' ' 58' ' ' ALA . 0.7 OUTLIER -104.97 151.6 23.71 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.506 1.128 . . . . 0.0 110.035 179.983 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.81 ' HA ' ' HA ' ' A' ' 29' ' ' LEU . 1.5 mt-10 -143.09 155.07 44.53 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.428 1.08 . . . . 0.0 110.316 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.934 HD13 ' OG ' ' A' ' 56' ' ' SER . 11.4 tp -134.43 143.47 47.58 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.474 1.109 . . . . 0.0 109.413 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.825 ' H ' HD12 ' A' ' 73' ' ' LEU . 0.1 OUTLIER -141.62 117.02 10.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.456 1.098 . . . . 0.0 110.345 -179.94 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.847 HD13 HH21 ' A' ' 84' ' ' ARG . 0.1 OUTLIER -145.28 158.81 43.74 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.462 1.101 . . . . 0.0 109.313 179.934 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . 0.484 ' N ' HD12 ' A' ' 75' ' ' LEU . 38.7 t -77.56 136.26 38.27 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.473 1.108 . . . . 0.0 110.065 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . 0.411 ' O ' ' HB3' ' A' ' 80' ' ' TRP . 0.0 OUTLIER -59.14 -34.59 72.25 Favored 'General case' 0 C--N 1.327 -0.399 0 O-C-N 124.521 1.138 . . . . 0.0 110.38 179.968 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 19.1 tttm -53.36 -51.09 63.59 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.42 1.075 . . . . 0.0 109.316 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -56.72 -38.28 72.13 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 124.608 1.193 . . . . 0.0 109.691 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' TRP . . . . . 0.936 ' CE3' HD12 ' A' ' 26' ' ' ILE . 13.1 t-105 -60.01 -33.86 72.56 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.547 1.154 . . . . 0.0 108.026 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 1.1 mt -65.36 -38.92 91.54 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.512 1.132 . . . . 0.0 109.325 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . 0.501 ' O ' ' HB3' ' A' ' 83' ' ' ASP . 0.2 OUTLIER -79.4 8.22 6.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.597 1.185 . . . . 0.0 109.987 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . 0.501 ' HB3' ' O ' ' A' ' 82' ' ' SER . 0.0 OUTLIER 69.1 149.14 0.07 Allowed 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.561 1.163 . . . . 0.0 109.309 179.949 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.847 HH21 HD13 ' A' ' 75' ' ' LEU . 8.7 ttp85 -170.4 178.05 3.86 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.432 1.082 . . . . 0.0 110.318 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . 0.53 ' HB ' ' CB ' ' A' ' 47' ' ' ASP . 1.2 m -132.09 97.83 4.26 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.116 . . . . 0.0 110.495 -179.911 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . 0.869 ' CZ ' ' CE3' ' A' ' 80' ' ' TRP . 0.0 OUTLIER -114.12 119.54 37.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.573 1.171 . . . . 0.0 110.939 -179.886 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . 1.387 ' HA ' ' CB ' ' A' ' 100' ' ' SER . 0.9 OUTLIER -139.69 141.59 36.96 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 110.295 -179.951 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' CYS . . . . . 1.009 ' HB3' ' CZ3' ' A' ' 44' ' ' TRP . 29.6 p -94.36 100.25 12.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.596 1.185 . . . . 0.0 108.349 179.827 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . 0.481 ' H ' ' HA ' ' A' ' 44' ' ' TRP . 25.8 tt0 -94.62 104.82 16.76 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.676 1.235 . . . . 0.0 110.317 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 1.039 HG11 HG21 ' A' ' 32' ' ' VAL . 0.5 OUTLIER -100.18 122.04 51.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.521 1.138 . . . . 0.0 109.257 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . 0.901 ' O ' ' HB ' ' A' ' 40' ' ' ILE . 0.6 OUTLIER -94.52 166.39 12.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.13 . . . . 0.0 110.295 -179.959 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . 0.882 ' CD1' HD12 ' A' ' 40' ' ' ILE . 31.6 m-85 -134.43 157.04 47.47 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 111.057 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -49.37 -21.82 0.97 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.535 1.147 . . . . 0.0 110.36 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -157.16 35.19 0.56 Allowed Glycine 0 CA--C 1.528 0.896 0 O-C-N 124.456 1.098 . . . . 0.0 111.054 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' HIS . . . . . 0.472 ' CA ' ' HB2' ' A' ' 92' ' ' TYR . 5.6 t60 -162.7 177.83 9.02 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.487 0.757 . . . . 0.0 109.566 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 13.3 t -160.94 152.98 19.95 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 110.392 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . 0.718 ' CG ' HG11 ' A' ' 9' ' ' VAL . 3.4 t80 -161.42 158.64 27.07 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.619 1.199 . . . . 0.0 110.998 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . 0.616 ' OE2' HD23 ' A' ' 45' ' ' LEU . 3.5 tt0 -156.11 133.07 10.51 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.584 1.177 . . . . 0.0 110.355 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . 0.588 ' O ' ' SG ' ' A' ' 88' ' ' CYS . 0.7 OUTLIER -158.03 130.93 7.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.661 1.225 . . . . 0.0 109.387 -179.955 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . 1.387 ' CB ' ' HA ' ' A' ' 87' ' ' THR . 7.8 t -171.82 -143.27 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.549 1.155 . . . . 0.0 110.05 -179.846 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . 0.845 HG23 ' CD1' ' A' ' 86' ' ' TYR . 3.7 t -134.5 -176.15 4.12 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.292 0.995 . . . . 0.0 110.419 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . 0.488 ' N ' ' OG1' ' A' ' 101' ' ' THR . 16.3 pttt . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.586 1.179 . . . . 0.0 109.275 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.661 ' O ' ' HA ' ' A' ' 32' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.349 0 N-CA-C 110.43 -0.211 . . . . 0.0 110.43 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.72 HG11 ' CD2' ' A' ' 97' ' ' PHE . 6.9 p -131.36 137.8 54.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.592 1.183 . . . . 0.0 109.394 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.555 ' HB2' ' CD1' ' A' ' 31' ' ' LEU . 24.8 mttt -142.96 165.71 26.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.613 1.196 . . . . 0.0 109.253 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.588 HD13 ' SG ' ' A' ' 30' ' ' CYS . 4.4 tp -126.57 117.21 47.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.384 1.053 . . . . 0.0 109.262 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.725 ' HB2' HD12 ' A' ' 29' ' ' LEU . 47.9 mt -113.13 129.52 56.48 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.505 1.128 . . . . 0.0 109.268 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . 0.52 ' HB3' HD22 ' A' ' 28' ' ' LEU . 0.0 OUTLIER -106.31 138.95 41.57 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.422 1.076 . . . . 0.0 110.372 179.917 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.469 ' HB3' ' CB ' ' A' ' 27' ' ' GLN . 0.2 OUTLIER -132.61 71.59 1.47 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.496 1.122 . . . . 0.0 110.037 179.919 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 8.4 t . . . . . 0 C--N 1.327 -0.411 0 O-C-N 124.414 1.071 . . . . 0.0 109.988 -179.982 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.825 HG22 ' HA ' ' A' ' 76' ' ' SER . 67.5 p . . . . . 0 N--CA 1.455 -0.189 0 N-CA-C 110.355 -0.239 . . . . 0.0 110.355 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.945 HD13 HD11 ' A' ' 28' ' ' LEU . 2.6 tt -109.85 133.81 53.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.417 1.073 . . . . 0.0 109.212 -179.845 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.469 ' CB ' ' HB3' ' A' ' 14' ' ' SER . 4.2 mt-30 -118.19 77.7 1.18 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.598 1.186 . . . . 0.0 110.34 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.945 HD11 HD13 ' A' ' 26' ' ' ILE . 3.5 mt -96.39 106.45 18.68 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.494 1.121 . . . . 0.0 109.414 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.725 HD12 ' HB2' ' A' ' 12' ' ' LEU . 0.5 OUTLIER -115.48 131.83 56.81 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 109.325 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.588 ' SG ' HD13 ' A' ' 11' ' ' ILE . 1.1 m -90.62 168.04 12.09 Favored 'General case' 0 C--N 1.327 -0.379 0 O-C-N 124.529 1.143 . . . . 0.0 108.229 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.877 ' C ' HD22 ' A' ' 31' ' ' LEU . 0.0 OUTLIER -128.42 97.91 4.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.464 1.102 . . . . 0.0 109.354 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 1.137 HG22 ' CE2' ' A' ' 35' ' ' TYR . 1.4 p -129.93 106.8 13.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 O-C-N 124.535 1.147 . . . . 0.0 109.319 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.923 ' CB ' ' HA ' ' A' ' 68' ' ' SER . 8.3 p -148.86 -178.04 6.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.387 1.055 . . . . 0.0 109.89 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.634 ' HA2' ' HB3' ' A' ' 66' ' ' LEU . . . 80.31 -46.73 3.28 Favored Glycine 0 CA--C 1.531 1.083 0 O-C-N 124.496 1.123 . . . . 0.0 110.965 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 1.137 ' CE2' HG22 ' A' ' 32' ' ' VAL . 15.3 p90 -65.23 148.94 50.79 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.582 0.813 . . . . 0.0 110.958 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.752 ' O ' ' HB3' ' A' ' 67' ' ' ALA . 4.1 m 51.48 139.56 0.01 OUTLIER Pre-proline 0 C--N 1.326 -0.42 0 O-C-N 124.448 1.092 . . . . 0.0 110.394 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.45 ' C ' ' HB2' ' A' ' 67' ' ' ALA . 18.3 Cg_endo -74.98 -14.19 21.25 Favored 'Trans proline' 0 C--N 1.361 1.211 0 O-C-N 124.614 1.849 . . . . 0.0 111.076 179.906 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.582 ' O ' ' CB ' ' A' ' 39' ' ' THR . . . -124.94 3.93 8.47 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.364 1.04 . . . . 0.0 110.931 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.801 HG23 ' N ' ' A' ' 40' ' ' ILE . 0.5 OUTLIER 88.58 -168.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.407 0.71 . . . . 0.0 110.417 -179.942 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.87 ' HB ' ' O ' ' A' ' 91' ' ' THR . 1.2 pt -125.94 -139.92 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 0.0 109.354 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . 0.529 ' C ' HD13 ' A' ' 42' ' ' ILE . 63.7 t30 -114.11 157.04 23.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.401 1.063 . . . . 0.0 109.342 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.844 HG21 ' HB3' ' A' ' 58' ' ' ALA . 3.5 mm -115.05 128.96 72.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.449 1.093 . . . . 0.0 109.264 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.527 ' C ' ' CD1' ' A' ' 44' ' ' TRP . 1.2 m -153.39 159.27 42.37 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.519 1.137 . . . . 0.0 110.424 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 1.065 ' CZ3' ' HB3' ' A' ' 88' ' ' CYS . 20.2 m95 -146.17 130.34 17.49 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.047 -1.094 . . . . 0.0 108.047 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.414 ' HB2' ' OE1' ' A' ' 98' ' ' GLU . 0.5 OUTLIER -96.81 111.83 23.84 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.478 1.111 . . . . 0.0 109.453 179.962 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.4 ' HA ' ' O ' ' A' ' 85' ' ' THR . 2.4 tm-20 -101.89 142.97 32.38 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.525 1.141 . . . . 0.0 110.36 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.513 ' CB ' ' HB ' ' A' ' 85' ' ' THR . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.57 1.169 . . . . 0.0 109.311 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.524 ' HB2' ' CB ' ' A' ' 75' ' ' LEU . 3.0 p30 . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 1.106 HD22 ' N ' ' A' ' 56' ' ' SER . 0.0 OUTLIER -141.95 162.59 35.08 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.37 1.044 . . . . 0.0 109.28 -179.964 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 1.106 ' N ' HD22 ' A' ' 55' ' ' LEU . 2.6 p -125.8 127.72 46.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 110.002 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.472 ' O ' ' N ' ' A' ' 72' ' ' GLU . 0.2 OUTLIER -130.84 163.84 26.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.606 1.191 . . . . 0.0 110.437 179.973 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.844 ' HB3' HG21 ' A' ' 42' ' ' ILE . . . -131.11 150.99 51.9 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.118 . . . . 0.0 109.295 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . 0.562 ' O ' ' HA ' ' A' ' 69' ' ' THR . 2.3 t -104.33 152.61 22.04 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.406 1.066 . . . . 0.0 109.976 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . 0.48 HG23 ' CB ' ' A' ' 39' ' ' THR . 22.2 m -108.27 142.51 38.45 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.613 1.195 . . . . 0.0 110.38 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . 0.665 ' OG1' ' O ' ' A' ' 68' ' ' SER . 0.7 OUTLIER -142.02 156.04 45.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.568 1.167 . . . . 0.0 110.423 179.964 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -99.88 127.45 46.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.449 1.093 . . . . 0.0 110.359 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -125.94 61.47 1.26 Allowed 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.396 1.06 . . . . 0.0 110.37 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 74.23 -105.42 1.83 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.512 1.133 . . . . 0.0 111.052 -179.872 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -100.99 0.32 37.95 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.582 0.813 . . . . 0.0 110.25 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.634 ' HB3' ' HA2' ' A' ' 34' ' ' GLY . 5.7 mp -111.37 176.91 4.83 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.563 1.164 . . . . 0.0 109.235 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.752 ' HB3' ' O ' ' A' ' 36' ' ' THR . . . -133.14 121.26 22.33 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.457 1.098 . . . . 0.0 109.321 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . 0.923 ' HA ' ' CB ' ' A' ' 33' ' ' SER . 39.8 t -103.69 120.17 40.39 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.983 -179.911 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.611 ' HB ' ' OH ' ' A' ' 35' ' ' TYR . 0.9 OUTLIER -124.25 112.22 16.77 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.485 1.115 . . . . 0.0 110.464 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.534 ' O ' ' N ' ' A' ' 59' ' ' SER . 4.5 tt0 -93.25 126.72 38.51 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.459 1.1 . . . . 0.0 110.262 -179.897 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.77 ' HA ' ' CB ' ' A' ' 58' ' ' ALA . 0.0 OUTLIER -100.9 146.37 27.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.972 -179.95 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.678 ' HA ' ' HA ' ' A' ' 29' ' ' LEU . 0.4 OUTLIER -140.88 154.05 45.98 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.352 1.032 . . . . 0.0 110.294 -179.973 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.857 HD22 HD12 ' A' ' 28' ' ' LEU . 8.8 tt -137.55 134.9 36.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.45 1.094 . . . . 0.0 109.329 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.432 ' HA ' ' O ' ' A' ' 26' ' ' ILE . 0.0 OUTLIER -133.59 114.68 13.81 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.473 1.108 . . . . 0.0 110.456 179.904 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.789 HD12 ' O ' ' A' ' 76' ' ' SER . 0.3 OUTLIER -145.09 137.54 26.03 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.415 1.072 . . . . 0.0 109.34 -179.967 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . 0.825 ' HA ' HG22 ' A' ' 25' ' ' THR . 48.2 m -65.38 137.88 57.78 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.485 1.116 . . . . 0.0 110.058 179.892 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 6.9 mm-40 -53.8 -28.01 32.64 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.463 1.102 . . . . 0.0 110.154 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 3.8 mttt -54.63 -54.81 36.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.456 1.097 . . . . 0.0 109.279 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . 0.554 ' HD1' ' NH2' ' A' ' 84' ' ' ARG . 0.6 OUTLIER -57.46 -37.83 73.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.595 1.184 . . . . 0.0 109.541 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' TRP . . . . . 0.922 ' CZ3' ' CE1' ' A' ' 86' ' ' TYR . 22.5 t-105 -60.28 -37.57 80.88 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.607 1.192 . . . . 0.0 108.063 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -68.69 -32.27 71.97 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.514 1.134 . . . . 0.0 109.322 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . 0.515 ' O ' ' HB2' ' A' ' 83' ' ' ASP . 0.3 OUTLIER -76.8 5.11 8.28 Favored 'General case' 0 C--N 1.326 -0.413 0 O-C-N 124.488 1.118 . . . . 0.0 109.994 179.929 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . 0.515 ' HB2' ' O ' ' A' ' 82' ' ' SER . 20.0 m-20 70.1 146.72 0.06 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.464 1.102 . . . . 0.0 109.311 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.554 ' NH2' ' HD1' ' A' ' 79' ' ' HIS . 6.7 ttp85 177.58 175.02 0.47 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.523 1.139 . . . . 0.0 110.214 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . 0.513 ' HB ' ' CB ' ' A' ' 47' ' ' ASP . 0.8 OUTLIER -134.81 105.51 6.47 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.432 1.082 . . . . 0.0 110.452 179.902 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . 0.922 ' CE1' ' CZ3' ' A' ' 80' ' ' TRP . 0.0 OUTLIER -104.29 132.48 50.5 Favored 'General case' 0 C--N 1.322 -0.592 0 O-C-N 124.495 1.122 . . . . 0.0 111.023 -179.965 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . 1.216 ' HA ' ' CB ' ' A' ' 100' ' ' SER . 0.2 OUTLIER -148.27 126.27 12.05 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.609 1.193 . . . . 0.0 110.417 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' CYS . . . . . 1.065 ' HB3' ' CZ3' ' A' ' 44' ' ' TRP . 17.1 p -84.51 99.39 10.69 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.524 1.14 . . . . 0.0 108.233 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . 0.473 ' HA ' ' O ' ' A' ' 97' ' ' PHE . 52.5 tt0 -93.06 102.45 14.78 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.454 1.096 . . . . 0.0 110.297 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 1.003 HG11 HG21 ' A' ' 32' ' ' VAL . 0.5 OUTLIER -96.44 122.88 48.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.432 1.083 . . . . 0.0 109.168 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . 0.87 ' O ' ' HB ' ' A' ' 40' ' ' ILE . 0.6 OUTLIER -92.53 165.85 12.81 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.538 1.149 . . . . 0.0 110.362 179.957 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . 0.836 ' CD1' HD12 ' A' ' 40' ' ' ILE . 36.7 m-85 -135.53 159.63 41.01 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.477 1.111 . . . . 0.0 111.05 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . 0.417 ' CD ' ' CG2' ' A' ' 36' ' ' THR . 0.8 OUTLIER -47.45 -26.35 1.33 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 110.339 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -156.65 33.58 0.58 Allowed Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.414 1.071 . . . . 0.0 110.938 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' HIS . . . . . 0.49 ' C ' ' HB2' ' A' ' 92' ' ' TYR . 2.7 t-160 -157.79 178.92 9.71 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.536 0.786 . . . . 0.0 109.569 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 12.5 t -159.37 156.5 28.62 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.466 1.103 . . . . 0.0 110.404 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . 0.72 ' CD2' HG11 ' A' ' 9' ' ' VAL . 18.1 t80 -160.7 160.01 30.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 111.007 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . 0.568 ' HG2' HG22 ' A' ' 87' ' ' THR . 29.5 tt0 -157.72 130.81 7.59 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.46 1.1 . . . . 0.0 110.293 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . 0.602 ' O ' ' SG ' ' A' ' 88' ' ' CYS . 4.4 m-20 -158.28 129.64 6.56 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.617 1.198 . . . . 0.0 109.271 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . 1.216 ' CB ' ' HA ' ' A' ' 87' ' ' THR . 40.7 t -167.02 -141.84 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.471 1.107 . . . . 0.0 109.929 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . 0.662 HG23 ' CD1' ' A' ' 86' ' ' TYR . 9.0 t -132.17 173.02 11.67 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.476 1.11 . . . . 0.0 110.458 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . 0.416 ' CB ' ' OG1' ' A' ' 85' ' ' THR . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.555 1.159 . . . . 0.0 109.317 -179.833 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 110.332 -0.248 . . . . 0.0 110.332 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.96 HG23 ' HB ' ' A' ' 32' ' ' VAL . 9.3 p -132.37 148.45 31.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.605 1.19 . . . . 0.0 109.191 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.711 ' CB ' HD12 ' A' ' 31' ' ' LEU . 1.9 mtpt -135.77 162.84 31.65 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.589 1.181 . . . . 0.0 109.304 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.615 HG13 ' HA ' ' A' ' 100' ' ' SER . 0.0 OUTLIER -133.5 116.01 23.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 O-C-N 124.482 1.114 . . . . 0.0 109.324 179.982 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.995 HD12 HD21 ' A' ' 31' ' ' LEU . 72.5 mt -114.85 132.43 56.51 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.57 1.169 . . . . 0.0 109.322 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -107.18 148.99 28.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.332 1.02 . . . . 0.0 110.21 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.487 ' N ' ' O ' ' A' ' 27' ' ' GLN . 1.8 t -132.54 69.81 1.48 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.548 1.155 . . . . 0.0 109.881 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 35.1 p . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 0.0 109.983 179.877 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.99 HG22 ' HA ' ' A' ' 76' ' ' SER . 2.2 p . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 110.336 -0.246 . . . . 0.0 110.336 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.945 HD11 HD12 ' A' ' 28' ' ' LEU . 0.0 OUTLIER -135.6 134.09 51.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.524 1.14 . . . . 0.0 109.311 -179.961 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.769 ' HG3' HG23 ' A' ' 74' ' ' THR . 0.9 OUTLIER -113.79 112.22 23.05 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.606 1.191 . . . . 0.0 110.344 179.916 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.945 HD12 HD11 ' A' ' 26' ' ' ILE . 1.6 mt -110.75 106.07 15.15 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.561 1.163 . . . . 0.0 109.376 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.899 HD13 ' N ' ' A' ' 29' ' ' LEU . 0.0 OUTLIER -112.04 125.47 54.12 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.529 1.143 . . . . 0.0 109.193 -179.895 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.483 ' HB3' ' O ' ' A' ' 10' ' ' LYS . 84.0 m -93.62 160.22 14.87 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.652 1.22 . . . . 0.0 108.29 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.995 HD21 HD12 ' A' ' 12' ' ' LEU . 0.1 OUTLIER -122.47 101.84 7.73 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.38 1.05 . . . . 0.0 109.337 179.943 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 1.171 HG22 ' CE2' ' A' ' 35' ' ' TYR . 6.5 p -133.47 124.52 48.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 109.309 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.9 ' CB ' ' HA ' ' A' ' 68' ' ' SER . 26.8 p -153.08 -179.88 8.09 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 109.937 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.755 ' HA2' ' HB3' ' A' ' 66' ' ' LEU . . . 90.16 -40.24 3.04 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.479 1.112 . . . . 0.0 111.128 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 1.171 ' CE2' HG22 ' A' ' 32' ' ' VAL . 7.0 p90 -66.13 146.11 55.03 Favored 'General case' 0 C--N 1.328 -0.364 0 O-C-N 124.536 0.786 . . . . 0.0 110.925 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.777 ' O ' ' O ' ' A' ' 35' ' ' TYR . 0.2 OUTLIER 43.58 158.22 0.01 OUTLIER Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.537 1.148 . . . . 0.0 110.344 179.948 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.888 ' C ' ' HB2' ' A' ' 67' ' ' ALA . 18.1 Cg_endo -75.11 -12.29 21.3 Favored 'Trans proline' 0 C--N 1.362 1.284 0 O-C-N 124.428 1.751 . . . . 0.0 110.925 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.757 ' C ' ' HB1' ' A' ' 67' ' ' ALA . . . -121.89 -45.62 0.33 Allowed Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.593 1.183 . . . . 0.0 111.029 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.646 ' CB ' ' O ' ' A' ' 38' ' ' GLY . 1.0 OUTLIER 155.02 169.86 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 0.775 . . . . 0.0 110.435 179.979 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 1.068 HG23 ' CD1' ' A' ' 35' ' ' TYR . 0.3 OUTLIER -98.45 -147.95 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.49 1.119 . . . . 0.0 109.285 -179.959 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . 0.598 ' N ' HG12 ' A' ' 40' ' ' ILE . 0.3 OUTLIER -97.98 132.86 43.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.607 1.192 . . . . 0.0 109.235 -179.967 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.855 HG21 ' HB3' ' A' ' 58' ' ' ALA . 6.8 mt -105.76 121.17 57.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.417 1.073 . . . . 0.0 109.376 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.526 ' C ' ' CD1' ' A' ' 44' ' ' TRP . 4.7 m -156.84 162.2 39.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.572 1.17 . . . . 0.0 110.418 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 1.077 ' CZ3' ' HB3' ' A' ' 88' ' ' CYS . 10.0 m95 -141.57 130.46 23.06 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.639 1.212 . . . . 0.0 107.973 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -91.95 112.09 23.89 Favored 'General case' 0 C--N 1.328 -0.363 0 O-C-N 124.519 1.137 . . . . 0.0 109.266 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.44 ' HG3' ' N ' ' A' ' 47' ' ' ASP . 1.2 tt0 -98.34 143.05 29.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 110.343 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.502 ' CB ' ' HB ' ' A' ' 85' ' ' THR . 0.1 OUTLIER . . . . . 0 C--N 1.323 -0.55 0 O-C-N 124.581 1.175 . . . . 0.0 109.413 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.464 ' HA ' ' O ' ' A' ' 74' ' ' THR . 25.8 m-20 . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 1.116 HD22 ' N ' ' A' ' 56' ' ' SER . 0.0 OUTLIER -137.28 162.26 34.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 0.0 109.41 179.944 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 1.116 ' N ' HD22 ' A' ' 55' ' ' LEU . 0.0 OUTLIER -128.76 133.09 47.99 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.514 1.134 . . . . 0.0 109.972 179.949 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.499 ' O ' ' N ' ' A' ' 72' ' ' GLU . 0.2 OUTLIER -133.11 156.6 47.13 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 110.48 179.951 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.855 ' HB3' HG21 ' A' ' 42' ' ' ILE . . . -128.5 151.39 49.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.457 1.098 . . . . 0.0 109.262 -179.848 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . 0.599 ' O ' ' HA ' ' A' ' 69' ' ' THR . 0.4 OUTLIER -105.03 156.97 17.56 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.443 1.089 . . . . 0.0 109.993 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . 0.595 ' HA ' ' OG1' ' A' ' 69' ' ' THR . 2.2 t -106.41 141.62 37.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.553 1.158 . . . . 0.0 110.331 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . 0.793 ' OG1' ' O ' ' A' ' 68' ' ' SER . 0.0 OUTLIER -143.6 162.35 36.13 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.441 1.088 . . . . 0.0 110.433 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -98.43 129.21 45.05 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.56 1.162 . . . . 0.0 110.369 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -127.65 64.19 1.36 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.51 1.131 . . . . 0.0 110.351 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 73.86 -107.64 2.3 Favored Glycine 0 CA--C 1.531 1.077 0 O-C-N 124.428 1.08 . . . . 0.0 111.038 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -100.14 0.23 40.2 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.381 0.695 . . . . 0.0 110.33 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.755 ' HB3' ' HA2' ' A' ' 34' ' ' GLY . 5.3 mp -115.91 -175.82 2.81 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.557 1.161 . . . . 0.0 109.181 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.888 ' HB2' ' C ' ' A' ' 37' ' ' PRO . . . -131.63 124.06 29.13 Favored 'General case' 0 C--N 1.327 -0.371 0 O-C-N 124.53 1.144 . . . . 0.0 109.36 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . 0.9 ' HA ' ' CB ' ' A' ' 33' ' ' SER . 47.6 t -108.5 117.63 34.66 Favored 'General case' 0 C--N 1.323 -0.564 0 O-C-N 124.529 1.143 . . . . 0.0 110.135 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.894 ' HB ' ' OH ' ' A' ' 35' ' ' TYR . 0.7 OUTLIER -117.57 125.04 50.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.632 1.208 . . . . 0.0 110.451 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.617 ' O ' ' HA ' ' A' ' 58' ' ' ALA . 2.3 tt0 -93.53 124.95 37.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.11 . . . . 0.0 110.247 -179.884 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.753 ' HA ' ' HB2' ' A' ' 58' ' ' ALA . 0.1 OUTLIER -97.13 143.67 27.72 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.463 1.102 . . . . 0.0 110.034 179.979 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.66 ' HA ' ' HA ' ' A' ' 29' ' ' LEU . 1.0 OUTLIER -136.88 155.83 49.26 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.569 1.168 . . . . 0.0 110.215 -179.962 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.991 ' HG ' HD11 ' A' ' 75' ' ' LEU . 13.3 tp -140.39 147.43 39.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.59 1.181 . . . . 0.0 109.287 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.863 ' H ' HD12 ' A' ' 73' ' ' LEU . 0.1 OUTLIER -148.01 120.71 8.63 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.128 . . . . 0.0 110.313 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.991 HD11 ' HG ' ' A' ' 73' ' ' LEU . 0.0 OUTLIER -141.82 167.05 23.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.603 1.189 . . . . 0.0 109.292 179.858 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . 0.99 ' HA ' HG22 ' A' ' 25' ' ' THR . 41.0 t -87.8 141.13 28.83 Favored 'General case' 0 C--N 1.327 -0.408 0 O-C-N 124.433 1.083 . . . . 0.0 110.015 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -59.53 -34.12 72.23 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.504 1.128 . . . . 0.0 110.373 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 15.5 tptt -54.14 -56.82 14.53 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.456 1.097 . . . . 0.0 109.257 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . 0.468 ' CB ' ' NH2' ' A' ' 84' ' ' ARG . 17.0 m80 -55.6 -34.97 65.34 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.412 1.07 . . . . 0.0 109.634 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' TRP . . . . . 0.918 ' CZ3' ' CZ ' ' A' ' 86' ' ' TYR . 25.2 t-105 -61.63 -41.24 97.21 Favored 'General case' 0 N--CA 1.451 -0.394 0 O-C-N 124.452 1.095 . . . . 0.0 108.06 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 9.3 tt -70.43 -32.41 69.99 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 109.36 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . 0.551 ' O ' ' HB3' ' A' ' 83' ' ' ASP . 0.2 OUTLIER -77.42 8.01 4.72 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.586 1.179 . . . . 0.0 109.947 179.945 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . 0.551 ' HB3' ' O ' ' A' ' 82' ' ' SER . 0.7 OUTLIER 68.42 146.21 0.05 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.504 1.127 . . . . 0.0 109.397 -179.971 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.468 ' NH2' ' CB ' ' A' ' 79' ' ' HIS . 1.0 OUTLIER -179.19 177.36 0.79 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.46 1.1 . . . . 0.0 110.272 -179.978 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . 0.502 ' HB ' ' CB ' ' A' ' 47' ' ' ASP . 0.9 OUTLIER -135.41 110.48 8.87 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.527 1.142 . . . . 0.0 110.314 179.954 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . 0.918 ' CZ ' ' CZ3' ' A' ' 80' ' ' TRP . 0.0 OUTLIER -112.67 121.82 45.87 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.518 1.136 . . . . 0.0 110.931 179.916 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . 1.477 ' HA ' ' CB ' ' A' ' 100' ' ' SER . 6.1 m -139.15 138.36 36.91 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.54 1.15 . . . . 0.0 110.365 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' CYS . . . . . 1.077 ' HB3' ' CZ3' ' A' ' 44' ' ' TRP . 8.9 p -100.44 101.71 12.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.1 . . . . 0.0 108.307 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . 0.486 ' N ' ' O ' ' A' ' 43' ' ' THR . 27.5 tt0 -94.14 110.48 22.2 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.119 . . . . 0.0 110.322 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.948 HG11 HG21 ' A' ' 32' ' ' VAL . 0.3 OUTLIER -107.48 117.67 53.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 O-C-N 124.553 1.158 . . . . 0.0 109.344 -179.965 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . 1.024 ' O ' ' HB ' ' A' ' 40' ' ' ILE . 7.0 m -100.1 154.15 18.65 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.398 1.061 . . . . 0.0 110.458 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . 0.796 ' CD2' HG21 ' A' ' 40' ' ' ILE . 0.7 OUTLIER -119.3 160.43 22.25 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.432 1.082 . . . . 0.0 111.098 179.905 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 6.4 pt20 -50.76 -23.69 2.89 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.463 1.102 . . . . 0.0 110.334 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -152.06 31.55 0.89 Allowed Glycine 0 CA--C 1.529 0.93 0 O-C-N 124.379 1.05 . . . . 0.0 111.023 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' HIS . . . . . 0.491 ' CB ' ' HB2' ' A' ' 92' ' ' TYR . 1.4 t-80 -157.73 179.46 9.2 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.445 0.732 . . . . 0.0 109.711 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.478 ' HA ' ' HA ' ' A' ' 91' ' ' THR . 8.8 t -160.14 152.85 21.23 Favored 'General case' 0 C--N 1.323 -0.573 0 O-C-N 124.453 1.096 . . . . 0.0 110.554 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . 0.43 ' HD2' ' HH ' ' A' ' 92' ' ' TYR . 1.4 m-85 -155.24 159.39 40.03 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.526 1.141 . . . . 0.0 110.967 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . 0.461 ' HG3' ' CG ' ' A' ' 89' ' ' GLN . 1.7 tt0 -155.67 110.28 2.91 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.489 1.118 . . . . 0.0 110.257 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . 0.506 ' O ' ' SG ' ' A' ' 88' ' ' CYS . 5.0 m-20 -138.45 127.05 23.39 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.457 1.098 . . . . 0.0 109.307 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . 1.477 ' CB ' ' HA ' ' A' ' 87' ' ' THR . 0.3 OUTLIER -169.61 -152.92 0.1 Allowed 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.5 1.125 . . . . 0.0 110.044 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . 0.605 HG23 ' CD1' ' A' ' 86' ' ' TYR . 9.0 t -137.85 173.78 11.27 Favored 'General case' 0 C--N 1.323 -0.563 0 O-C-N 124.511 1.132 . . . . 0.0 110.495 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 13.4 pttt . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.558 1.161 . . . . 0.0 109.3 -179.976 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.513 ' O ' ' HA ' ' A' ' 32' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.335 0 N-CA-C 110.389 -0.226 . . . . 0.0 110.389 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 1.055 HG11 ' CD1' ' A' ' 97' ' ' PHE . 4.4 p -131.95 141.92 44.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.531 1.144 . . . . 0.0 109.238 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.63 ' CD ' HD12 ' A' ' 31' ' ' LEU . 7.0 mtpt -139.15 166.63 24.03 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.54 1.15 . . . . 0.0 109.226 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.486 HD11 ' SG ' ' A' ' 88' ' ' CYS . 0.3 OUTLIER -124.66 122.14 63.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 O-C-N 124.438 1.086 . . . . 0.0 109.407 179.925 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 22.4 mt -122.03 128.35 51.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.563 1.164 . . . . 0.0 109.364 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -107.33 139.84 41.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.383 1.052 . . . . 0.0 110.345 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.507 ' HB2' ' CB ' ' A' ' 27' ' ' GLN . 75.7 m -133.44 76.53 1.67 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 0.0 110.015 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.436 ' HB3' ' CG1' ' A' ' 26' ' ' ILE . 16.3 p . . . . . 0 C--N 1.324 -0.517 0 O-C-N 124.475 1.11 . . . . 0.0 110.032 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.466 ' HB ' ' O ' ' A' ' 75' ' ' LEU . 76.5 p . . . . . 0 N--CA 1.454 -0.26 0 N-CA-C 110.444 -0.206 . . . . 0.0 110.444 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.867 HD12 ' CZ3' ' A' ' 80' ' ' TRP . 0.2 OUTLIER -135.23 139.11 47.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.545 1.153 . . . . 0.0 109.229 -179.964 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.6 ' HA ' ' O ' ' A' ' 73' ' ' LEU . 24.8 mt-30 -120.71 86.47 2.58 Favored 'General case' 0 C--N 1.327 -0.4 0 O-C-N 124.414 1.071 . . . . 0.0 110.342 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.65 ' O ' ' HB3' ' A' ' 73' ' ' LEU . 0.8 OUTLIER -95.12 101.76 13.53 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.442 1.089 . . . . 0.0 109.408 179.92 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.682 ' HA ' ' HA ' ' A' ' 72' ' ' GLU . 8.5 mp -99.85 118.59 36.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.565 1.166 . . . . 0.0 109.321 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.548 ' CB ' ' HB2' ' A' ' 71' ' ' SER . 0.4 OUTLIER -92.15 127.9 37.8 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.406 1.066 . . . . 0.0 108.254 -179.965 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.851 HD13 ' C ' ' A' ' 31' ' ' LEU . 0.2 OUTLIER -94.94 119.85 34.16 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.12 . . . . 0.0 109.385 179.955 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 1.12 HG22 ' CE2' ' A' ' 35' ' ' TYR . 1.3 p -147.74 108.61 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.411 1.07 . . . . 0.0 109.285 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.912 ' CB ' ' HA ' ' A' ' 68' ' ' SER . 25.6 p -147.46 -178.45 6.24 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.365 1.041 . . . . 0.0 110.052 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.527 ' O ' ' HB3' ' A' ' 66' ' ' LEU . . . 81.91 -49.52 4.1 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.484 1.115 . . . . 0.0 111.063 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 1.12 ' CE2' HG22 ' A' ' 32' ' ' VAL . 4.0 p90 -62.1 146.93 49.04 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 0.753 . . . . 0.0 110.954 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.781 ' O ' ' HB3' ' A' ' 67' ' ' ALA . 3.7 m 50.58 138.07 0.01 OUTLIER Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.572 1.17 . . . . 0.0 110.338 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.1 -12.88 21.34 Favored 'Trans proline' 0 C--N 1.362 1.257 0 O-C-N 124.373 1.723 . . . . 0.0 110.971 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.659 ' O ' HG22 ' A' ' 39' ' ' THR . . . -124.39 4.65 8.8 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.484 1.115 . . . . 0.0 111.101 179.9 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.722 HG23 ' N ' ' A' ' 40' ' ' ILE . 0.7 OUTLIER 93.6 -166.39 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.452 0.736 . . . . 0.0 110.418 179.971 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.947 ' HB ' ' O ' ' A' ' 91' ' ' THR . 0.9 OUTLIER -135.01 -141.66 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.582 1.177 . . . . 0.0 109.359 179.938 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . 0.8 ' C ' HD13 ' A' ' 42' ' ' ILE . 56.5 t30 -115.93 160.78 19.76 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.442 1.089 . . . . 0.0 109.232 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.8 HD13 ' C ' ' A' ' 41' ' ' ASN . 0.8 OUTLIER -114.06 136.45 50.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 O-C-N 124.51 1.131 . . . . 0.0 109.329 179.968 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.515 ' C ' ' CD1' ' A' ' 44' ' ' TRP . 1.1 m -155.6 151.52 27.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.564 1.165 . . . . 0.0 110.416 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 1.037 ' CZ3' ' HB3' ' A' ' 88' ' ' CYS . 20.9 m95 -144.82 130.55 19.07 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.024 -1.102 . . . . 0.0 108.024 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -105.68 117.75 34.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.438 1.086 . . . . 0.0 109.333 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.519 ' CD ' ' CZ ' ' A' ' 84' ' ' ARG . 1.0 OUTLIER -102.72 156.79 17.39 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.451 1.094 . . . . 0.0 110.255 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.572 ' CB ' ' HB ' ' A' ' 85' ' ' THR . 0.2 OUTLIER . . . . . 0 C--N 1.326 -0.445 0 O-C-N 124.529 1.143 . . . . 0.0 109.236 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.845 ' HB3' ' O ' ' A' ' 74' ' ' THR . 0.2 OUTLIER . . . . . 0 N--CA 1.454 -0.233 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 1.01 HD22 ' N ' ' A' ' 56' ' ' SER . 0.0 OUTLIER -154.08 179.48 8.89 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.641 1.213 . . . . 0.0 109.286 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 1.01 ' N ' HD22 ' A' ' 55' ' ' LEU . 0.1 OUTLIER -135.05 135.04 40.98 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.481 1.113 . . . . 0.0 109.981 -179.915 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -130.21 158.65 39.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.549 1.156 . . . . 0.0 110.437 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.788 ' HB3' ' CG2' ' A' ' 42' ' ' ILE . . . -132.76 151.85 51.9 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.117 . . . . 0.0 109.216 -179.896 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . 0.529 ' O ' ' HA ' ' A' ' 69' ' ' THR . 0.6 OUTLIER -107.93 154.44 21.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 0.0 110.024 179.977 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . 0.548 ' HA ' ' OG1' ' A' ' 69' ' ' THR . 1.5 t -105.0 141.64 36.22 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.557 1.161 . . . . 0.0 110.452 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . 0.735 ' OG1' ' O ' ' A' ' 68' ' ' SER . 0.0 OUTLIER -142.4 159.19 42.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.406 1.066 . . . . 0.0 110.504 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 -95.86 130.47 42.8 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.458 1.099 . . . . 0.0 110.271 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.981 ' O ' HD12 ' A' ' 66' ' ' LEU . 7.7 mt-10 -129.53 64.23 1.5 Allowed 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.509 1.131 . . . . 0.0 110.258 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 73.39 -107.92 2.36 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.559 1.162 . . . . 0.0 110.996 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -99.81 0.32 41.33 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 0.779 . . . . 0.0 110.255 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.981 HD12 ' O ' ' A' ' 63' ' ' GLU . 0.0 OUTLIER -115.73 179.22 4.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.558 1.161 . . . . 0.0 109.331 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.781 ' HB3' ' O ' ' A' ' 36' ' ' THR . . . -129.53 118.98 22.93 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.582 1.176 . . . . 0.0 109.283 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . 0.912 ' HA ' ' CB ' ' A' ' 33' ' ' SER . 23.0 t -102.82 115.29 30.31 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.54 1.15 . . . . 0.0 109.996 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.829 ' HB ' ' OH ' ' A' ' 35' ' ' TYR . 0.8 OUTLIER -116.37 119.63 36.27 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.49 1.119 . . . . 0.0 110.398 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.498 ' O ' ' HA ' ' A' ' 58' ' ' ALA . 0.7 OUTLIER -93.26 125.87 38.08 Favored 'General case' 0 C--N 1.323 -0.559 0 O-C-N 124.54 1.15 . . . . 0.0 110.271 -179.951 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.779 ' HA ' ' CB ' ' A' ' 58' ' ' ALA . 0.8 OUTLIER -106.15 141.71 37.05 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.559 1.162 . . . . 0.0 110.107 179.949 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.682 ' HA ' ' HA ' ' A' ' 29' ' ' LEU . 0.5 OUTLIER -133.86 150.09 51.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.364 1.04 . . . . 0.0 110.381 -179.914 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 1.009 HD12 ' N ' ' A' ' 74' ' ' THR . 1.3 tp -129.6 138.2 51.13 Favored 'General case' 0 C--N 1.323 -0.562 0 O-C-N 124.598 1.186 . . . . 0.0 109.41 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 1.009 ' N ' HD12 ' A' ' 73' ' ' LEU . 0.0 OUTLIER -137.55 117.08 12.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.449 1.093 . . . . 0.0 110.372 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.857 HD23 HG21 ' A' ' 26' ' ' ILE . 0.1 OUTLIER -145.44 158.02 43.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 109.278 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . 0.508 ' O ' HD12 ' A' ' 75' ' ' LEU . 0.4 OUTLIER -84.97 141.38 30.38 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 109.973 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 11.4 tm0? -60.12 -28.33 67.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.451 1.094 . . . . 0.0 110.258 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.48 -54.89 26.42 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.489 1.118 . . . . 0.0 109.376 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . 0.458 ' HB2' ' CD1' ' A' ' 75' ' ' LEU . 18.3 m170 -58.24 -42.74 87.01 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.112 . . . . 0.0 109.585 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' TRP . . . . . 1.028 ' CZ3' ' CZ ' ' A' ' 86' ' ' TYR . 6.4 t-105 -60.63 -19.17 57.34 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.496 1.123 . . . . 0.0 108.044 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.425 ' C ' ' H ' ' A' ' 83' ' ' ASP . 0.1 OUTLIER -81.52 -43.55 18.61 Favored 'General case' 0 C--N 1.328 -0.355 0 O-C-N 124.428 1.08 . . . . 0.0 109.271 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 1.1 p -82.24 30.63 0.4 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.566 1.166 . . . . 0.0 110.039 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . 0.425 ' H ' ' C ' ' A' ' 81' ' ' LEU . 0.0 OUTLIER 60.72 149.59 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.539 1.149 . . . . 0.0 109.292 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.543 HH12 ' N ' ' A' ' 47' ' ' ASP . 0.0 OUTLIER -178.42 165.35 1.77 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.586 1.179 . . . . 0.0 110.171 -179.921 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . 0.572 ' HB ' ' CB ' ' A' ' 47' ' ' ASP . 0.9 OUTLIER -129.98 118.15 21.18 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.54 1.15 . . . . 0.0 110.45 -179.97 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . 1.028 ' CZ ' ' CZ3' ' A' ' 80' ' ' TRP . 0.0 OUTLIER -109.12 130.37 55.48 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.584 1.178 . . . . 0.0 110.963 -179.905 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . 1.351 ' HA ' ' CB ' ' A' ' 100' ' ' SER . 1.8 m -145.23 123.97 12.59 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.531 1.144 . . . . 0.0 110.466 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' CYS . . . . . 1.037 ' HB3' ' CZ3' ' A' ' 44' ' ' TRP . 20.4 p -96.58 96.81 8.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 108.262 -179.869 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . 0.439 ' N ' ' O ' ' A' ' 43' ' ' THR . 33.9 tt0 -92.27 114.44 26.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.144 . . . . 0.0 110.316 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.938 HG11 HG21 ' A' ' 32' ' ' VAL . 3.1 t -103.5 133.81 46.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.448 1.092 . . . . 0.0 109.3 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . 0.947 ' O ' ' HB ' ' A' ' 40' ' ' ILE . 1.2 m -107.89 163.86 12.76 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.563 1.164 . . . . 0.0 110.375 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . 0.809 ' CE1' HG12 ' A' ' 90' ' ' VAL . 2.1 m-85 -138.41 150.65 46.72 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.473 1.108 . . . . 0.0 111.043 179.862 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 5.8 pt20 -50.42 -21.63 1.54 Allowed 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.52 1.137 . . . . 0.0 110.354 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -154.28 36.44 0.7 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.44 1.088 . . . . 0.0 111.047 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' HIS . . . . . 0.559 ' CA ' ' HB2' ' A' ' 92' ' ' TYR . 2.2 t-80 -166.08 172.75 11.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 0.755 . . . . 0.0 109.677 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 13.6 t -160.73 154.78 22.86 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.455 1.097 . . . . 0.0 110.454 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . 1.055 ' CD1' HG11 ' A' ' 9' ' ' VAL . 24.4 t80 -169.94 164.54 9.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.441 1.088 . . . . 0.0 111.067 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . 0.775 ' HG2' HG22 ' A' ' 87' ' ' THR . 41.8 tt0 -152.07 133.51 14.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.149 . . . . 0.0 110.397 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . 0.744 ' O ' ' SG ' ' A' ' 88' ' ' CYS . 0.1 OUTLIER -148.39 125.29 11.27 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.501 1.126 . . . . 0.0 109.279 -179.97 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . 1.351 ' CB ' ' HA ' ' A' ' 87' ' ' THR . 0.3 OUTLIER -167.4 -155.27 0.18 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.54 1.15 . . . . 0.0 110.058 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . 0.704 HG23 ' CD1' ' A' ' 86' ' ' TYR . 4.5 t -143.08 173.96 11.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.368 1.042 . . . . 0.0 110.441 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.438 1.086 . . . . 0.0 109.317 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.52 HG22 ' O ' ' A' ' 33' ' ' SER . 2.8 t . . . . . 0 N--CA 1.452 -0.353 0 N-CA-C 110.459 -0.2 . . . . 0.0 110.459 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.603 HG11 ' CD1' ' A' ' 97' ' ' PHE . 5.0 p -135.95 143.45 36.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.547 1.154 . . . . 0.0 109.27 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.57 ' N ' ' O ' ' A' ' 31' ' ' LEU . 0.1 OUTLIER -135.96 165.53 25.45 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.456 1.098 . . . . 0.0 109.296 -179.966 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.51 ' CG1' ' O ' ' A' ' 99' ' ' ASP . 0.1 OUTLIER -135.86 120.95 27.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.587 1.179 . . . . 0.0 109.287 -179.871 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 1.009 HD11 HD12 ' A' ' 29' ' ' LEU . 0.0 OUTLIER -129.36 136.47 50.03 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.577 1.173 . . . . 0.0 109.185 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . 0.631 ' HB3' HD23 ' A' ' 28' ' ' LEU . 0.0 OUTLIER -103.56 146.46 28.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.372 1.045 . . . . 0.0 110.272 179.932 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.435 ' HB3' ' CB ' ' A' ' 27' ' ' GLN . 0.1 OUTLIER -132.8 76.19 1.67 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.625 1.203 . . . . 0.0 109.97 -179.965 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 6.5 p . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.582 1.176 . . . . 0.0 109.958 -179.937 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.888 HG22 ' HA ' ' A' ' 76' ' ' SER . 6.0 p . . . . . 0 N--CA 1.452 -0.325 0 N-CA-C 110.396 -0.224 . . . . 0.0 110.396 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.875 HD13 HD11 ' A' ' 28' ' ' LEU . 0.1 OUTLIER -138.1 135.14 44.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 109.231 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.51 ' HA ' ' O ' ' A' ' 73' ' ' LEU . 6.9 mt-30 -117.68 83.61 2.02 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.571 1.169 . . . . 0.0 110.396 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.875 HD11 HD13 ' A' ' 26' ' ' ILE . 1.5 mt -99.04 110.75 23.3 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 109.288 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 1.009 HD12 HD11 ' A' ' 12' ' ' LEU . 0.0 OUTLIER -114.62 154.47 28.3 Favored 'General case' 0 C--N 1.323 -0.56 0 O-C-N 124.51 1.131 . . . . 0.0 109.34 179.955 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.502 ' HB2' ' HB3' ' A' ' 71' ' ' SER . 0.1 OUTLIER -108.97 159.39 16.86 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.503 1.127 . . . . 0.0 108.37 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.593 HD13 HD12 ' A' ' 12' ' ' LEU . 6.6 mp -123.03 90.05 3.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.422 1.076 . . . . 0.0 109.302 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 1.095 HG22 ' CE2' ' A' ' 35' ' ' TYR . 0.9 OUTLIER -124.1 114.14 39.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.511 1.132 . . . . 0.0 109.338 179.969 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.872 ' CB ' ' HA ' ' A' ' 68' ' ' SER . 16.9 p -154.09 -179.79 8.21 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.553 1.158 . . . . 0.0 110.072 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.709 ' HA2' ' HB3' ' A' ' 66' ' ' LEU . . . 81.85 -46.16 3.43 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.555 1.159 . . . . 0.0 110.99 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 1.095 ' CE2' HG22 ' A' ' 32' ' ' VAL . 7.3 p90 -65.73 152.5 44.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.415 0.715 . . . . 0.0 111.001 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.756 ' O ' ' CB ' ' A' ' 67' ' ' ALA . 4.4 m 47.26 138.21 0.0 OUTLIER Pre-proline 0 C--N 1.327 -0.392 0 O-C-N 124.44 1.087 . . . . 0.0 110.368 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.425 ' C ' ' HB2' ' A' ' 67' ' ' ALA . 18.0 Cg_endo -74.99 -12.94 21.55 Favored 'Trans proline' 0 C--N 1.362 1.251 0 O-C-N 124.453 1.765 . . . . 0.0 111.013 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.676 ' O ' HG22 ' A' ' 39' ' ' THR . . . -124.87 2.73 8.56 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.546 1.154 . . . . 0.0 111.039 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.71 HG23 ' N ' ' A' ' 40' ' ' ILE . 0.7 OUTLIER 93.53 -166.72 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.542 0.789 . . . . 0.0 110.417 179.949 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.948 ' HB ' ' O ' ' A' ' 91' ' ' THR . 0.8 OUTLIER -133.72 -141.21 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 109.319 179.921 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . 0.412 ' HB2' ' HB ' ' A' ' 91' ' ' THR . 2.1 m120 -108.42 155.48 20.52 Favored 'General case' 0 C--N 1.322 -0.59 0 O-C-N 124.573 1.171 . . . . 0.0 109.34 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.889 HG21 ' HB3' ' A' ' 58' ' ' ALA . 6.6 mt -120.07 130.26 74.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.495 1.122 . . . . 0.0 109.268 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.467 ' OG1' ' C ' ' A' ' 42' ' ' ILE . 3.5 m -159.09 161.74 36.46 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.421 1.076 . . . . 0.0 110.505 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 1.088 ' CZ3' ' HB3' ' A' ' 88' ' ' CYS . 21.5 m95 -140.66 129.54 23.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.57 1.169 . . . . 0.0 108.007 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 7.7 tp -91.0 104.55 17.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.547 1.154 . . . . 0.0 109.278 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.465 ' HA ' ' O ' ' A' ' 85' ' ' THR . 1.0 OUTLIER -100.51 152.93 19.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.629 1.206 . . . . 0.0 110.349 179.977 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.492 ' CB ' ' HB ' ' A' ' 85' ' ' THR . 0.4 OUTLIER . . . . . 0 C--N 1.324 -0.519 0 O-C-N 124.463 1.102 . . . . 0.0 109.315 -179.908 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.497 ' HB2' ' CB ' ' A' ' 75' ' ' LEU . 3.5 p30 . . . . . 0 N--CA 1.452 -0.336 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 1.182 HD22 ' N ' ' A' ' 56' ' ' SER . 0.0 OUTLIER -136.58 160.88 37.46 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.47 1.106 . . . . 0.0 109.375 179.944 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 1.182 ' N ' HD22 ' A' ' 55' ' ' LEU . 0.1 OUTLIER -126.14 128.73 47.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.14 . . . . 0.0 109.984 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.628 ' OG1' HD21 ' A' ' 55' ' ' LEU . 0.3 OUTLIER -133.16 159.07 41.23 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.442 1.089 . . . . 0.0 110.362 179.969 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.889 ' HB3' HG21 ' A' ' 42' ' ' ILE . . . -134.6 150.96 50.75 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.541 1.151 . . . . 0.0 109.327 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . 0.64 ' O ' ' HA ' ' A' ' 69' ' ' THR . 0.1 OUTLIER -107.96 148.02 30.24 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.554 1.159 . . . . 0.0 109.998 -179.94 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . 0.403 ' HA ' ' OG1' ' A' ' 69' ' ' THR . 2.2 t -105.16 143.49 33.27 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.539 1.149 . . . . 0.0 110.501 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . 0.741 ' OG1' ' O ' ' A' ' 68' ' ' SER . 0.8 OUTLIER -138.36 158.58 44.0 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.523 1.139 . . . . 0.0 110.357 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -99.68 125.56 45.56 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.417 1.073 . . . . 0.0 110.276 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -128.1 66.0 1.37 Allowed 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.357 1.036 . . . . 0.0 110.295 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 74.41 -108.08 2.43 Favored Glycine 0 CA--C 1.529 0.932 0 O-C-N 124.5 1.125 . . . . 0.0 111.047 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -100.84 0.64 38.99 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.508 0.77 . . . . 0.0 110.32 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.709 ' HB3' ' HA2' ' A' ' 34' ' ' GLY . 5.9 mp -112.5 176.54 4.97 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.53 1.144 . . . . 0.0 109.296 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.756 ' CB ' ' O ' ' A' ' 36' ' ' THR . . . -134.95 121.59 20.72 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.501 1.125 . . . . 0.0 109.169 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . 0.872 ' HA ' ' CB ' ' A' ' 33' ' ' SER . 26.7 t -102.68 120.12 40.02 Favored 'General case' 0 C--N 1.327 -0.375 0 O-C-N 124.413 1.07 . . . . 0.0 110.006 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.65 ' HB ' ' OH ' ' A' ' 35' ' ' TYR . 0.9 OUTLIER -123.89 115.72 21.74 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.355 1.034 . . . . 0.0 110.348 -179.944 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.532 ' O ' ' HA ' ' A' ' 58' ' ' ALA . 1.2 pt20 -97.8 122.89 41.43 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.387 1.055 . . . . 0.0 110.227 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.885 ' HA ' ' CB ' ' A' ' 58' ' ' ALA . 1.1 t -100.4 154.03 18.84 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.468 1.105 . . . . 0.0 110.025 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.734 ' HA ' ' HA ' ' A' ' 29' ' ' LEU . 1.1 mt-10 -146.45 156.3 43.19 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.492 1.12 . . . . 0.0 110.264 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.777 HD13 ' CB ' ' A' ' 56' ' ' SER . 25.0 tp -135.77 141.26 44.78 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.437 1.086 . . . . 0.0 109.245 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.569 ' H ' HD12 ' A' ' 73' ' ' LEU . 0.0 OUTLIER -138.16 115.9 11.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.433 1.083 . . . . 0.0 110.436 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.816 HD12 ' O ' ' A' ' 76' ' ' SER . 0.4 OUTLIER -141.45 157.6 44.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.254 -179.977 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . 0.888 ' HA ' HG22 ' A' ' 25' ' ' THR . 0.2 OUTLIER -84.95 143.66 28.83 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.53 1.143 . . . . 0.0 109.984 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . 0.411 ' HG3' ' N ' ' A' ' 78' ' ' LYS . 19.0 pt20 -57.16 -31.7 65.64 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.499 1.124 . . . . 0.0 110.246 -179.875 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.411 ' N ' ' HG3' ' A' ' 77' ' ' GLN . 0.0 OUTLIER -52.79 -57.51 9.94 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.571 1.17 . . . . 0.0 109.323 -179.981 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -56.7 -37.86 71.5 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 109.583 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' TRP . . . . . 0.922 ' CZ3' ' CZ ' ' A' ' 86' ' ' TYR . 8.9 t-105 -62.47 -36.98 84.18 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 107.962 -1.125 . . . . 0.0 107.962 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -69.84 -32.8 71.4 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.579 1.174 . . . . 0.0 109.251 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . 0.46 ' O ' ' HB3' ' A' ' 83' ' ' ASP . 1.4 t -76.25 4.7 8.22 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.461 1.1 . . . . 0.0 110.017 -179.908 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . 0.463 ' OD1' ' N ' ' A' ' 84' ' ' ARG . 0.2 OUTLIER 67.38 143.67 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.398 0 O-C-N 124.534 1.146 . . . . 0.0 109.314 -179.968 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.595 ' NH2' HD13 ' A' ' 75' ' ' LEU . 0.0 OUTLIER 179.33 -171.25 0.14 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 110.28 179.921 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . 0.492 ' HB ' ' CB ' ' A' ' 47' ' ' ASP . 0.7 OUTLIER -134.05 129.72 36.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 0.0 110.463 179.968 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . 0.922 ' CZ ' ' CZ3' ' A' ' 80' ' ' TRP . 0.0 OUTLIER -127.44 116.44 20.44 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.485 1.116 . . . . 0.0 111.092 179.929 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . 1.448 ' HA ' ' CB ' ' A' ' 100' ' ' SER . 8.6 m -139.4 137.71 35.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.669 1.231 . . . . 0.0 110.408 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' CYS . . . . . 1.088 ' HB3' ' CZ3' ' A' ' 44' ' ' TRP . 22.2 p -97.21 100.24 11.71 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.487 1.117 . . . . 0.0 108.332 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . 0.441 ' CB ' ' HG3' ' A' ' 98' ' ' GLU . 5.7 tt0 -93.04 116.94 29.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.149 . . . . 0.0 110.333 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 1.061 HG11 HG21 ' A' ' 32' ' ' VAL . 2.7 t -105.03 136.51 38.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.385 1.053 . . . . 0.0 109.283 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . 0.948 ' O ' ' HB ' ' A' ' 40' ' ' ILE . 1.0 OUTLIER -110.76 165.7 11.62 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.616 1.197 . . . . 0.0 110.326 -179.948 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . 0.858 ' CE1' HG12 ' A' ' 90' ' ' VAL . 8.8 m-85 -140.85 156.61 46.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.45 1.094 . . . . 0.0 110.993 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -47.82 -24.79 1.07 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.487 1.117 . . . . 0.0 110.319 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -156.78 35.83 0.57 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.401 1.063 . . . . 0.0 110.973 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' HIS . . . . . 0.509 ' CA ' ' HB2' ' A' ' 92' ' ' TYR . 1.2 t-80 -161.71 178.52 8.92 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.553 0.796 . . . . 0.0 109.591 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.415 ' O ' ' CD2' ' A' ' 97' ' ' PHE . 6.0 t -159.22 167.09 29.91 Favored 'General case' 0 C--N 1.323 -0.576 0 O-C-N 124.519 1.137 . . . . 0.0 110.448 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . 0.603 ' CD1' HG11 ' A' ' 9' ' ' VAL . 4.4 m-85 -162.48 161.85 27.24 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.538 1.149 . . . . 0.0 111.033 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . 0.441 ' HG3' ' CB ' ' A' ' 89' ' ' GLN . 7.7 tt0 -159.2 115.04 2.56 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.393 1.058 . . . . 0.0 110.289 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . 0.567 ' O ' ' SG ' ' A' ' 88' ' ' CYS . 1.0 OUTLIER -144.17 125.12 14.34 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.414 1.071 . . . . 0.0 109.357 -179.973 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . 1.448 ' CB ' ' HA ' ' A' ' 87' ' ' THR . 0.3 OUTLIER -173.13 -151.32 0.05 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.471 1.107 . . . . 0.0 109.984 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . 0.8 HG23 ' CD1' ' A' ' 86' ' ' TYR . 3.8 t -138.0 -179.78 5.98 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 110.406 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . 0.449 ' N ' ' OG1' ' A' ' 101' ' ' THR . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.516 0 O-C-N 124.586 1.179 . . . . 0.0 109.306 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.595 ' O ' ' HA ' ' A' ' 32' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.451 -0.391 0 N-CA-C 110.426 -0.212 . . . . 0.0 110.426 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.679 HG23 ' HB ' ' A' ' 32' ' ' VAL . 3.3 p -128.91 139.7 51.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.52 1.138 . . . . 0.0 109.252 -179.876 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.554 ' N ' ' O ' ' A' ' 31' ' ' LEU . 8.8 tptt -136.89 149.93 47.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 109.268 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.649 HD13 ' SG ' ' A' ' 88' ' ' CYS . 0.5 OUTLIER -128.09 118.71 49.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.426 1.079 . . . . 0.0 109.268 -179.939 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.842 HD13 ' N ' ' A' ' 12' ' ' LEU . 0.0 OUTLIER -128.38 148.09 50.68 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.468 1.105 . . . . 0.0 109.341 -179.944 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -108.97 146.29 34.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.125 . . . . 0.0 110.384 179.86 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.484 ' HB3' ' CB ' ' A' ' 27' ' ' GLN . 6.5 t -132.52 79.13 1.84 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.462 1.101 . . . . 0.0 109.918 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 42.7 t . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.521 1.138 . . . . 0.0 109.971 179.963 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.446 ' HB ' ' O ' ' A' ' 75' ' ' LEU . 82.4 p . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 110.365 -0.235 . . . . 0.0 110.365 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.78 HD12 ' CE3' ' A' ' 80' ' ' TRP . 0.4 OUTLIER -143.51 137.44 25.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.533 1.145 . . . . 0.0 109.305 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.499 ' HA ' ' O ' ' A' ' 73' ' ' LEU . 23.1 mt-30 -115.69 84.92 2.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.378 1.049 . . . . 0.0 110.355 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.893 ' HB2' HD22 ' A' ' 73' ' ' LEU . 1.3 mt -92.62 104.51 16.8 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 109.354 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.716 ' O ' HD22 ' A' ' 12' ' ' LEU . 8.6 mp -104.35 132.71 50.3 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 109.346 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.525 ' CB ' ' HB2' ' A' ' 71' ' ' SER . 0.1 OUTLIER -106.99 116.57 32.16 Favored 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.507 1.129 . . . . 0.0 108.26 -179.96 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.944 HD13 ' O ' ' A' ' 31' ' ' LEU . 0.2 OUTLIER -92.08 113.0 25.15 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.556 1.16 . . . . 0.0 109.295 179.93 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 1.167 HG22 ' CE2' ' A' ' 35' ' ' TYR . 3.7 p -142.6 114.13 3.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.513 1.133 . . . . 0.0 109.265 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.934 ' CB ' ' HA ' ' A' ' 68' ' ' SER . 24.3 p -148.5 -175.94 5.12 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.599 1.187 . . . . 0.0 109.973 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.502 ' O ' ' HB3' ' A' ' 66' ' ' LEU . . . 80.37 -47.65 3.47 Favored Glycine 0 CA--C 1.529 0.923 0 O-C-N 124.352 1.033 . . . . 0.0 111.061 -179.895 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 1.167 ' CE2' HG22 ' A' ' 32' ' ' VAL . 7.4 p90 -60.63 144.93 50.76 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.504 0.767 . . . . 0.0 111.123 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.813 ' O ' ' HB3' ' A' ' 67' ' ' ALA . 7.7 m 48.64 138.34 0.0 OUTLIER Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.42 1.075 . . . . 0.0 110.395 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.405 ' C ' ' HB2' ' A' ' 67' ' ' ALA . 17.9 Cg_endo -75.08 -9.59 20.73 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.656 1.871 . . . . 0.0 111.018 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.686 ' O ' HG22 ' A' ' 39' ' ' THR . . . -124.07 3.55 9.08 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.393 1.058 . . . . 0.0 111.108 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.686 HG22 ' O ' ' A' ' 38' ' ' GLY . 0.8 OUTLIER 95.41 -167.91 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.39 0 O-C-N 124.456 0.739 . . . . 0.0 110.398 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 1.077 HG21 ' CD2' ' A' ' 92' ' ' TYR . 2.0 pt -132.9 -143.11 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.544 1.152 . . . . 0.0 109.226 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . 0.4 ' HB2' ' HB ' ' A' ' 91' ' ' THR . 8.0 m-80 -111.9 150.19 30.81 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.512 1.132 . . . . 0.0 109.295 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.874 HG21 ' HB3' ' A' ' 58' ' ' ALA . 4.7 mt -115.23 123.27 70.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 109.403 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.531 ' C ' ' CD1' ' A' ' 44' ' ' TRP . 2.6 m -148.98 160.98 42.81 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.582 1.176 . . . . 0.0 110.276 -179.915 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 1.112 ' CZ3' ' HB3' ' A' ' 88' ' ' CYS . 18.9 m95 -145.27 131.34 19.33 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.475 1.109 . . . . 0.0 108.027 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 14.4 tp -94.56 103.7 15.65 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.468 1.105 . . . . 0.0 109.268 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 52.4 tt0 -100.5 86.59 3.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.113 . . . . 0.0 110.341 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.56 ' CB ' ' HB ' ' A' ' 85' ' ' THR . 0.4 OUTLIER . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.399 1.062 . . . . 0.0 109.332 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.542 ' HB2' ' CB ' ' A' ' 75' ' ' LEU . 2.7 p30 . . . . . 0 N--CA 1.454 -0.23 0 N-CA-C 109.238 -0.652 . . . . 0.0 109.238 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 1.12 HD22 ' N ' ' A' ' 56' ' ' SER . 0.0 OUTLIER -139.06 161.84 36.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 109.279 179.883 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 1.12 ' N ' HD22 ' A' ' 55' ' ' LEU . 1.4 p -128.21 129.56 46.64 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.444 1.09 . . . . 0.0 109.944 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -130.94 159.42 37.51 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 0.0 110.377 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.874 ' HB3' HG21 ' A' ' 42' ' ' ILE . . . -130.95 152.19 50.54 Favored 'General case' 0 C--N 1.327 -0.403 0 O-C-N 124.424 1.077 . . . . 0.0 109.301 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . 0.589 ' N ' ' O ' ' A' ' 70' ' ' GLN . 0.1 OUTLIER -105.8 163.11 12.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 0.0 110.001 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . 0.624 ' CG2' HG21 ' A' ' 39' ' ' THR . 1.4 m -108.65 141.83 40.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 110.43 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . 0.789 ' OG1' ' O ' ' A' ' 68' ' ' SER . 0.0 OUTLIER -142.84 159.26 42.57 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.601 1.188 . . . . 0.0 110.49 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -102.77 130.78 49.85 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.101 . . . . 0.0 110.331 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -127.82 60.28 1.45 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.618 1.199 . . . . 0.0 110.342 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 73.58 -105.12 1.72 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.36 1.038 . . . . 0.0 111.036 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -100.1 -1.28 37.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 0.755 . . . . 0.0 110.247 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.502 ' HB3' ' O ' ' A' ' 34' ' ' GLY . 0.1 OUTLIER -111.57 176.31 5.07 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.515 1.134 . . . . 0.0 109.309 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.813 ' HB3' ' O ' ' A' ' 36' ' ' THR . . . -127.91 119.52 25.74 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.501 1.125 . . . . 0.0 109.291 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . 0.934 ' HA ' ' CB ' ' A' ' 33' ' ' SER . 41.9 t -105.5 121.58 44.24 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.51 1.131 . . . . 0.0 109.904 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.927 ' HB ' ' OH ' ' A' ' 35' ' ' TYR . 0.7 OUTLIER -124.05 118.81 27.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.12 . . . . 0.0 110.324 179.91 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.589 ' O ' ' N ' ' A' ' 59' ' ' SER . 5.5 mt-30 -91.12 129.55 37.11 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.583 1.177 . . . . 0.0 110.27 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.73 ' HA ' ' CB ' ' A' ' 58' ' ' ALA . 0.9 OUTLIER -110.9 144.52 39.83 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.383 1.052 . . . . 0.0 109.972 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.637 ' HA ' ' HA ' ' A' ' 29' ' ' LEU . 1.1 mt-10 -136.33 156.16 49.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.422 1.076 . . . . 0.0 110.324 -179.908 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.893 HD22 ' HB2' ' A' ' 28' ' ' LEU . 8.0 tt -138.12 137.53 37.79 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 0.0 109.326 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -136.47 114.63 11.54 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.459 1.099 . . . . 0.0 110.394 -179.888 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 1.037 HD13 ' CE1' ' A' ' 79' ' ' HIS . 0.8 OUTLIER -141.64 158.39 43.88 Favored 'General case' 0 C--N 1.323 -0.56 0 O-C-N 124.575 1.172 . . . . 0.0 109.337 179.913 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . 0.761 ' O ' HD12 ' A' ' 75' ' ' LEU . 0.5 OUTLIER -84.22 139.28 32.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.428 1.08 . . . . 0.0 109.983 -179.911 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 17.4 tt0 -61.3 -33.75 74.09 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.511 1.132 . . . . 0.0 110.271 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -52.55 -56.96 11.62 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.458 1.099 . . . . 0.0 109.337 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . 1.037 ' CE1' HD13 ' A' ' 75' ' ' LEU . 0.0 OUTLIER -54.27 -42.9 70.49 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.454 1.096 . . . . 0.0 109.476 -179.967 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' TRP . . . . . 0.867 ' CE3' ' CZ ' ' A' ' 86' ' ' TYR . 8.5 t-105 -53.0 -35.51 59.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.567 1.167 . . . . 0.0 107.984 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.455 ' C ' ' H ' ' A' ' 83' ' ' ASP . 0.7 OUTLIER -67.45 -37.31 82.79 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.094 . . . . 0.0 109.321 -179.952 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . 0.423 ' O ' ' HB2' ' A' ' 83' ' ' ASP . 28.1 t -79.34 22.11 0.45 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.581 1.176 . . . . 0.0 109.945 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . 0.455 ' H ' ' C ' ' A' ' 81' ' ' LEU . 2.2 m-20 62.92 149.3 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.382 1.051 . . . . 0.0 109.287 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.566 ' CB ' ' NE2' ' A' ' 79' ' ' HIS . 0.0 OUTLIER 179.7 160.88 0.84 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.615 1.197 . . . . 0.0 110.35 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . 0.56 ' HB ' ' CB ' ' A' ' 47' ' ' ASP . 1.2 m -121.38 101.02 7.36 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.445 1.091 . . . . 0.0 110.406 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . 0.867 ' CZ ' ' CE3' ' A' ' 80' ' ' TRP . 0.0 OUTLIER -103.82 120.35 40.8 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.483 1.114 . . . . 0.0 110.99 -179.932 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . 1.405 ' HA ' ' CB ' ' A' ' 100' ' ' SER . 2.2 m -144.87 133.66 22.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 110.342 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' CYS . . . . . 1.112 ' HB3' ' CZ3' ' A' ' 44' ' ' TRP . 6.4 p -95.8 99.47 11.29 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.56 1.162 . . . . 0.0 108.319 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 4.8 tt0 -92.56 107.72 19.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 110.304 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 1.035 HG11 HG21 ' A' ' 32' ' ' VAL . 0.5 OUTLIER -100.0 122.36 51.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 O-C-N 124.518 1.136 . . . . 0.0 109.215 -179.951 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . 0.994 ' O ' ' HB ' ' A' ' 40' ' ' ILE . 1.0 OUTLIER -101.29 164.46 11.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.562 1.164 . . . . 0.0 110.359 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . 1.077 ' CD2' HG21 ' A' ' 40' ' ' ILE . 1.8 m-85 -134.16 154.24 51.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.41 1.069 . . . . 0.0 110.99 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -50.72 -22.47 2.11 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.585 1.178 . . . . 0.0 110.247 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -152.26 34.35 0.84 Allowed Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.495 1.122 . . . . 0.0 111.026 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' HIS . . . . . 0.523 ' CA ' ' HB2' ' A' ' 92' ' ' TYR . 1.7 t-160 -165.08 176.18 8.77 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.568 0.805 . . . . 0.0 109.654 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 14.6 t -159.16 154.67 25.85 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.521 1.138 . . . . 0.0 110.471 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . 0.431 ' CD1' HG11 ' A' ' 9' ' ' VAL . 0.2 OUTLIER -163.68 160.72 23.04 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.544 1.153 . . . . 0.0 110.962 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . 0.645 ' HG2' HG22 ' A' ' 87' ' ' THR . 28.1 tt0 -157.15 133.82 10.02 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.111 . . . . 0.0 110.208 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . 0.719 ' O ' ' SG ' ' A' ' 88' ' ' CYS . 46.5 m-20 -154.96 127.63 8.02 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.443 1.089 . . . . 0.0 109.418 179.893 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . 1.405 ' CB ' ' HA ' ' A' ' 87' ' ' THR . 1.1 t -172.41 -151.14 0.06 Allowed 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.471 1.107 . . . . 0.0 109.889 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . 0.771 HG23 ' CD1' ' A' ' 86' ' ' TYR . 5.0 t -138.53 174.47 10.5 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.433 1.083 . . . . 0.0 110.394 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.449 0 O-C-N 124.703 1.252 . . . . 0.0 109.314 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.631 ' O ' ' HA ' ' A' ' 32' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 110.346 -0.242 . . . . 0.0 110.346 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.755 HG11 ' CG ' ' A' ' 97' ' ' PHE . 4.3 p -132.94 142.26 42.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 O-C-N 124.443 1.09 . . . . 0.0 109.161 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.544 ' N ' ' O ' ' A' ' 31' ' ' LEU . 2.8 mttt -142.12 166.33 25.01 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.612 1.195 . . . . 0.0 109.311 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.551 ' CG1' ' O ' ' A' ' 99' ' ' ASP . 0.2 OUTLIER -130.28 120.35 48.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 109.244 -179.972 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.973 HD12 HD13 ' A' ' 31' ' ' LEU . 57.4 mt -124.3 130.82 53.18 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.111 . . . . 0.0 109.399 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . 0.477 ' HB3' ' CD2' ' A' ' 28' ' ' LEU . 0.0 OUTLIER -107.49 141.24 39.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.451 1.094 . . . . 0.0 110.285 -179.952 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.462 ' HB3' ' CB ' ' A' ' 27' ' ' GLN . 0.1 OUTLIER -132.5 72.7 1.5 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.609 1.193 . . . . 0.0 109.965 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 3.1 t . . . . . 0 C--N 1.326 -0.434 0 O-C-N 124.486 1.116 . . . . 0.0 109.937 -179.962 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.71 HG22 ' HA ' ' A' ' 76' ' ' SER . 1.1 p . . . . . 0 N--CA 1.452 -0.338 0 N-CA-C 110.493 -0.188 . . . . 0.0 110.493 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 1.04 ' CG2' HD23 ' A' ' 75' ' ' LEU . 2.4 tt -109.8 133.25 55.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 O-C-N 124.454 1.096 . . . . 0.0 109.353 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.493 ' HA ' ' O ' ' A' ' 73' ' ' LEU . 5.7 mt-30 -115.05 77.94 1.12 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 110.31 -179.911 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.614 HD12 HD23 ' A' ' 73' ' ' LEU . 0.5 OUTLIER -96.76 109.3 21.99 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.444 1.09 . . . . 0.0 109.325 -179.938 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.803 ' HA ' ' HA ' ' A' ' 72' ' ' GLU . 0.4 OUTLIER -112.87 131.35 55.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 109.261 -179.926 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.509 ' SG ' ' O ' ' A' ' 10' ' ' LYS . 0.1 OUTLIER -90.87 150.47 21.52 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.125 . . . . 0.0 108.351 179.844 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.973 HD13 HD12 ' A' ' 12' ' ' LEU . 4.2 mp -114.45 96.57 5.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.551 1.157 . . . . 0.0 109.343 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 1.13 HG22 ' CE2' ' A' ' 35' ' ' TYR . 1.3 p -128.63 108.85 18.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.263 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.859 ' CB ' ' HA ' ' A' ' 68' ' ' SER . 6.4 p -148.66 178.99 8.17 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.462 1.101 . . . . 0.0 110.047 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.654 ' HA2' ' HB3' ' A' ' 66' ' ' LEU . . . 81.42 -46.14 3.37 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.513 1.133 . . . . 0.0 111.032 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 1.13 ' CE2' HG22 ' A' ' 32' ' ' VAL . 4.4 p90 -63.07 148.92 46.43 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.577 0.81 . . . . 0.0 111.036 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.9 ' O ' ' HB3' ' A' ' 67' ' ' ALA . 5.8 m 48.03 135.46 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.551 1.157 . . . . 0.0 110.426 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.411 ' C ' ' HB2' ' A' ' 67' ' ' ALA . 18.2 Cg_endo -75.18 -8.43 19.85 Favored 'Trans proline' 0 C--N 1.362 1.242 0 O-C-N 124.455 1.766 . . . . 0.0 110.948 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.597 ' O ' ' CB ' ' A' ' 39' ' ' THR . . . -127.24 6.48 7.2 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.539 1.15 . . . . 0.0 110.993 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.782 HG23 ' N ' ' A' ' 40' ' ' ILE . 0.5 OUTLIER 90.01 -167.97 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.552 0.795 . . . . 0.0 110.424 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.907 ' HB ' ' O ' ' A' ' 91' ' ' THR . 1.1 pt -135.26 -139.83 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.59 1.182 . . . . 0.0 109.328 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . 0.692 ' O ' HD13 ' A' ' 42' ' ' ILE . 2.2 m-20 -109.4 159.05 17.33 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.429 1.08 . . . . 0.0 109.314 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 1.096 HD11 HG21 ' A' ' 69' ' ' THR . 13.6 mm -125.69 126.59 70.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.689 1.243 . . . . 0.0 109.281 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.48 ' C ' ' CD1' ' A' ' 44' ' ' TRP . 10.1 m -158.8 161.38 36.94 Favored 'General case' 0 C--N 1.323 -0.556 0 O-C-N 124.557 1.161 . . . . 0.0 110.408 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 1.026 ' CZ3' ' HB3' ' A' ' 88' ' ' CYS . 16.4 m95 -140.82 129.42 22.76 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 108.011 -1.107 . . . . 0.0 108.011 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -82.34 97.29 8.25 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.589 1.181 . . . . 0.0 109.255 -179.886 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.475 ' HA ' ' O ' ' A' ' 85' ' ' THR . 5.2 tm-20 -97.67 125.27 42.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.381 1.05 . . . . 0.0 110.288 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.528 ' CB ' ' HB ' ' A' ' 85' ' ' THR . 0.2 OUTLIER . . . . . 0 C--N 1.324 -0.537 0 O-C-N 124.585 1.178 . . . . 0.0 109.293 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.48 ' HB3' ' HB2' ' A' ' 75' ' ' LEU . 9.9 m-20 . . . . . 0 N--CA 1.452 -0.339 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 1.163 HD22 ' N ' ' A' ' 56' ' ' SER . 0.0 OUTLIER -139.73 161.11 38.34 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.612 1.195 . . . . 0.0 109.271 -179.894 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 1.163 ' N ' HD22 ' A' ' 55' ' ' LEU . 0.0 OUTLIER -123.79 132.49 53.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.538 1.149 . . . . 0.0 109.985 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.435 ' O ' ' N ' ' A' ' 72' ' ' GLU . 0.3 OUTLIER -134.91 158.36 44.48 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.492 1.12 . . . . 0.0 110.362 -179.883 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.868 ' HB3' HG21 ' A' ' 42' ' ' ILE . . . -130.88 151.35 51.4 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.439 1.087 . . . . 0.0 109.257 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . 0.544 ' O ' ' HA ' ' A' ' 69' ' ' THR . 0.3 OUTLIER -105.14 154.96 19.49 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.434 1.084 . . . . 0.0 110.04 179.93 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . 0.583 ' CG2' HG21 ' A' ' 39' ' ' THR . 1.2 m -106.49 142.3 36.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 110.348 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . 0.722 ' OG1' ' O ' ' A' ' 68' ' ' SER . 0.2 OUTLIER -142.73 156.4 45.01 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.569 1.168 . . . . 0.0 110.362 -179.864 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 11.2 tt0 -100.35 128.24 46.46 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.481 1.113 . . . . 0.0 110.331 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -126.13 62.21 1.26 Allowed 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.494 1.121 . . . . 0.0 110.101 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 74.5 -105.5 1.87 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.447 1.092 . . . . 0.0 110.95 179.852 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -101.21 0.28 37.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 0.782 . . . . 0.0 110.309 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.654 ' HB3' ' HA2' ' A' ' 34' ' ' GLY . 6.6 mt -111.93 177.88 4.5 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.576 1.172 . . . . 0.0 109.373 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.9 ' HB3' ' O ' ' A' ' 36' ' ' THR . . . -132.14 118.49 19.66 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.593 1.183 . . . . 0.0 109.252 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . 0.859 ' HA ' ' CB ' ' A' ' 33' ' ' SER . 48.5 t -102.72 122.93 45.45 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 109.992 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 1.096 HG21 HD11 ' A' ' 42' ' ' ILE . 0.9 OUTLIER -126.9 120.36 29.01 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.503 1.127 . . . . 0.0 110.341 179.962 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.576 ' O ' ' HA ' ' A' ' 58' ' ' ALA . 1.2 tt0 -98.69 124.29 43.42 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.457 1.098 . . . . 0.0 110.261 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.796 ' HA ' ' CB ' ' A' ' 58' ' ' ALA . 1.2 t -102.57 148.54 25.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.629 1.206 . . . . 0.0 110.01 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.803 ' HA ' ' HA ' ' A' ' 29' ' ' LEU . 51.7 tt0 -138.89 161.2 37.87 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.522 1.139 . . . . 0.0 110.303 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.846 HD12 ' H ' ' A' ' 74' ' ' THR . 3.4 tp -140.68 139.01 34.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 0.0 109.232 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.846 ' H ' HD12 ' A' ' 73' ' ' LEU . 0.0 OUTLIER -135.99 114.33 11.62 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.487 1.117 . . . . 0.0 110.298 -179.915 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 1.04 HD23 ' CG2' ' A' ' 26' ' ' ILE . 0.1 OUTLIER -140.17 163.98 31.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.122 . . . . 0.0 109.245 179.965 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . 0.71 ' HA ' HG22 ' A' ' 25' ' ' THR . 0.4 OUTLIER -86.18 144.16 27.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 110.0 -179.965 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 7.2 tp60 -62.14 -44.71 96.03 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.608 1.192 . . . . 0.0 110.358 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 46.1 tttt -51.88 -47.21 64.62 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.405 1.066 . . . . 0.0 109.234 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . 0.52 ' O ' ' NE ' ' A' ' 84' ' ' ARG . 40.1 m-70 -56.0 -42.71 76.82 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.106 . . . . 0.0 109.63 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' TRP . . . . . 0.867 ' CZ3' ' CD1' ' A' ' 26' ' ' ILE . 6.9 t-105 -59.01 -31.5 68.87 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -62.63 -39.93 95.4 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.461 1.1 . . . . 0.0 109.311 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . 0.457 ' HB3' HH21 ' A' ' 84' ' ' ARG . 3.1 m -72.05 -1.39 14.57 Favored 'General case' 0 C--N 1.327 -0.403 0 O-C-N 124.444 1.09 . . . . 0.0 110.017 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . 0.494 ' OD1' ' C ' ' A' ' 83' ' ' ASP . 0.0 OUTLIER 66.63 145.44 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 0.0 109.267 -179.97 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.689 ' HG3' ' CE2' ' A' ' 86' ' ' TYR . 0.0 OUTLIER -172.6 -173.87 1.08 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.524 1.14 . . . . 0.0 110.222 -179.899 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . 0.528 ' HB ' ' CB ' ' A' ' 47' ' ' ASP . 2.8 m -127.45 97.16 4.78 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.575 1.172 . . . . 0.0 110.447 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . 0.814 ' CD1' HG23 ' A' ' 101' ' ' THR . 0.1 OUTLIER -108.03 102.33 11.51 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 110.988 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . 1.433 ' HA ' ' CB ' ' A' ' 100' ' ' SER . 1.8 m -127.59 144.67 51.05 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.554 1.159 . . . . 0.0 110.433 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' CYS . . . . . 1.026 ' HB3' ' CZ3' ' A' ' 44' ' ' TRP . 29.8 p -95.15 102.24 14.04 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.524 1.14 . . . . 0.0 108.239 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . 0.515 ' H ' ' HA ' ' A' ' 44' ' ' TRP . 0.6 OUTLIER -94.6 108.7 20.66 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.558 1.162 . . . . 0.0 110.284 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 1.054 HG11 HG21 ' A' ' 32' ' ' VAL . 3.0 t -98.62 136.99 27.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.431 1.082 . . . . 0.0 109.278 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . 0.907 ' O ' ' HB ' ' A' ' 40' ' ' ILE . 0.9 OUTLIER -110.08 169.63 8.6 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.42 1.075 . . . . 0.0 110.439 179.966 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . 0.824 ' CD2' HG21 ' A' ' 40' ' ' ILE . 14.7 m-85 -144.68 157.13 44.32 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.387 1.054 . . . . 0.0 110.949 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -46.83 -26.09 0.89 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.546 1.154 . . . . 0.0 110.408 179.86 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -157.09 35.8 0.56 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.484 1.115 . . . . 0.0 111.063 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' HIS . . . . . 0.501 ' CA ' ' HB2' ' A' ' 92' ' ' TYR . 6.7 t60 -158.16 173.94 15.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 0.777 . . . . 0.0 109.57 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 5.7 t -160.37 165.01 31.97 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.433 1.083 . . . . 0.0 110.338 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . 0.755 ' CG ' HG11 ' A' ' 9' ' ' VAL . 8.5 t80 -176.32 161.11 2.22 Favored 'General case' 0 N--CA 1.451 -0.406 0 O-C-N 124.447 1.092 . . . . 0.0 111.007 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . 0.51 ' HG2' HG22 ' A' ' 87' ' ' THR . 29.6 tt0 -157.2 134.94 10.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 110.381 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . 0.554 ' HB2' ' CZ ' ' A' ' 97' ' ' PHE . 0.5 OUTLIER -156.76 129.66 7.78 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.492 1.12 . . . . 0.0 109.244 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . 1.433 ' CB ' ' HA ' ' A' ' 87' ' ' THR . 0.6 OUTLIER -174.49 -146.03 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.517 1.136 . . . . 0.0 109.929 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . 0.814 HG23 ' CD1' ' A' ' 86' ' ' TYR . 2.1 t -135.62 -175.59 4.0 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.529 1.143 . . . . 0.0 110.453 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . 0.539 ' HA ' ' CE1' ' A' ' 86' ' ' TYR . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.309 1.006 . . . . 0.0 109.266 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.567 HG22 ' O ' ' A' ' 33' ' ' SER . 1.8 t . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 110.458 -0.201 . . . . 0.0 110.458 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.744 HG23 ' HB ' ' A' ' 32' ' ' VAL . 3.1 p -134.05 147.5 30.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 0.0 109.285 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.517 ' N ' ' O ' ' A' ' 31' ' ' LEU . 12.3 mtpt -134.76 164.88 26.55 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.53 1.144 . . . . 0.0 109.282 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.503 HG13 ' N ' ' A' ' 100' ' ' SER . 0.4 OUTLIER -131.41 122.63 51.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.542 1.151 . . . . 0.0 109.218 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.928 HD12 HD13 ' A' ' 31' ' ' LEU . 40.6 mt -127.68 129.3 46.92 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.529 1.143 . . . . 0.0 109.294 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -105.23 138.82 40.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.542 1.151 . . . . 0.0 110.253 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.473 ' HB3' ' CB ' ' A' ' 27' ' ' GLN . 0.1 OUTLIER -132.91 73.76 1.54 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.538 1.149 . . . . 0.0 110.017 179.901 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 80.9 p . . . . . 0 C--N 1.324 -0.527 0 O-C-N 124.441 1.088 . . . . 0.0 110.029 -179.955 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.498 ' OG1' ' N ' ' A' ' 26' ' ' ILE . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.353 0 N-CA-C 110.396 -0.224 . . . . 0.0 110.396 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.958 HD12 ' CE3' ' A' ' 80' ' ' TRP . 0.6 OUTLIER -107.82 135.75 45.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.578 1.174 . . . . 0.0 109.329 179.905 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.515 ' HA ' ' O ' ' A' ' 73' ' ' LEU . 2.1 mt-30 -118.28 78.99 1.31 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 110.346 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.903 HD12 HD22 ' A' ' 73' ' ' LEU . 1.5 mt -96.98 107.95 20.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.277 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.684 HD12 ' HB2' ' A' ' 12' ' ' LEU . 0.4 OUTLIER -115.12 129.63 56.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.14 . . . . 0.0 109.313 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.537 ' O ' HD12 ' A' ' 31' ' ' LEU . 87.9 m -91.22 167.89 12.0 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.656 1.223 . . . . 0.0 108.281 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.928 HD13 HD12 ' A' ' 12' ' ' LEU . 4.9 mp -127.64 94.88 4.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.13 . . . . 0.0 109.311 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 1.085 HG22 ' CE2' ' A' ' 35' ' ' TYR . 2.5 p -122.13 119.5 58.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.604 1.19 . . . . 0.0 109.3 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.927 ' CB ' ' HA ' ' A' ' 68' ' ' SER . 12.6 p -156.04 -177.33 6.5 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.555 1.16 . . . . 0.0 109.978 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.703 ' CA ' HD23 ' A' ' 66' ' ' LEU . . . 80.56 -45.91 3.18 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.411 1.069 . . . . 0.0 110.934 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 1.085 ' CE2' HG22 ' A' ' 32' ' ' VAL . 4.2 p90 -63.4 152.6 37.72 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.629 0.84 . . . . 0.0 111.028 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.915 ' O ' ' HB3' ' A' ' 67' ' ' ALA . 4.0 m 50.65 144.31 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 110.389 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.614 ' HD2' HG22 ' A' ' 36' ' ' THR . 18.5 Cg_endo -74.89 -13.23 21.72 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.488 1.783 . . . . 0.0 111.077 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.556 ' O ' ' CB ' ' A' ' 39' ' ' THR . . . -123.95 -52.08 0.2 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.56 1.162 . . . . 0.0 110.993 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.727 ' OG1' HG23 ' A' ' 60' ' ' THR . 0.9 OUTLIER 162.12 173.06 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.56 0 O-C-N 124.567 0.804 . . . . 0.0 110.424 -179.956 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.903 ' HB ' ' O ' ' A' ' 91' ' ' THR . 1.3 pt -117.05 -139.51 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 O-C-N 124.465 1.103 . . . . 0.0 109.245 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . 0.679 ' CB ' HG22 ' A' ' 91' ' ' THR . 10.1 t-20 -113.66 152.31 30.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.585 1.178 . . . . 0.0 109.242 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.886 HG21 ' CB ' ' A' ' 58' ' ' ALA . 3.6 mt -122.24 118.51 55.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.1 . . . . 0.0 109.338 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.501 ' C ' ' CD1' ' A' ' 44' ' ' TRP . 3.2 m -149.25 161.41 42.07 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.453 1.095 . . . . 0.0 110.488 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 1.025 ' CZ3' ' HB3' ' A' ' 88' ' ' CYS . 13.2 m95 -141.55 130.27 22.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.571 1.169 . . . . 0.0 108.016 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -100.54 118.21 36.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.552 1.157 . . . . 0.0 109.27 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -99.51 155.85 17.35 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.527 1.142 . . . . 0.0 110.378 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.489 ' HB3' ' CG2' ' A' ' 85' ' ' THR . 0.3 OUTLIER . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.463 1.102 . . . . 0.0 109.301 -179.906 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.576 ' CB ' ' HB2' ' A' ' 75' ' ' LEU . 8.7 p-10 . . . . . 0 N--CA 1.454 -0.264 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 1.176 HD22 ' N ' ' A' ' 56' ' ' SER . 0.0 OUTLIER -137.9 155.07 49.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.422 1.077 . . . . 0.0 109.261 179.956 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 1.176 ' N ' HD22 ' A' ' 55' ' ' LEU . 0.1 OUTLIER -125.06 129.16 49.7 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.559 1.162 . . . . 0.0 109.938 -179.868 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.482 ' O ' ' N ' ' A' ' 72' ' ' GLU . 0.3 OUTLIER -131.78 160.16 36.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.55 1.156 . . . . 0.0 110.358 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.886 ' CB ' HG21 ' A' ' 42' ' ' ILE . . . -129.82 156.0 45.07 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.43 1.081 . . . . 0.0 109.393 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . 0.545 ' O ' ' HA ' ' A' ' 69' ' ' THR . 1.3 t -104.83 169.49 8.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.612 1.195 . . . . 0.0 109.967 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . 0.727 HG23 ' OG1' ' A' ' 39' ' ' THR . 1.9 m -106.85 145.54 32.03 Favored 'General case' 0 C--N 1.326 -0.413 0 O-C-N 124.515 1.134 . . . . 0.0 110.382 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . 0.517 ' OG1' ' CB ' ' A' ' 68' ' ' SER . 0.6 OUTLIER -138.44 156.25 47.74 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.501 1.126 . . . . 0.0 110.389 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -118.26 133.21 56.08 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.38 1.05 . . . . 0.0 110.312 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -138.07 63.24 1.54 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.567 1.167 . . . . 0.0 110.371 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 71.57 -106.67 1.96 Allowed Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.52 1.137 . . . . 0.0 110.977 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -95.97 -1.64 48.66 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.495 0.762 . . . . 0.0 110.333 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.703 HD23 ' CA ' ' A' ' 34' ' ' GLY . 2.6 mp -105.86 166.29 10.58 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.371 1.044 . . . . 0.0 109.395 179.853 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.915 ' HB3' ' O ' ' A' ' 36' ' ' THR . . . -133.17 118.99 19.32 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.46 1.1 . . . . 0.0 109.237 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . 0.927 ' HA ' ' CB ' ' A' ' 33' ' ' SER . 9.4 t -95.66 176.22 6.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.41 1.069 . . . . 0.0 110.081 179.885 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.692 ' HB ' ' OH ' ' A' ' 35' ' ' TYR . 1.1 m -169.53 119.68 0.67 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.13 . . . . 0.0 110.317 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.646 ' O ' ' HA ' ' A' ' 58' ' ' ALA . 37.0 tt0 -95.66 111.79 23.65 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.427 1.08 . . . . 0.0 110.307 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.775 ' HA ' ' CB ' ' A' ' 58' ' ' ALA . 0.1 OUTLIER -94.63 139.61 30.97 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.495 1.122 . . . . 0.0 110.053 179.953 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.65 ' HA ' ' HA ' ' A' ' 29' ' ' LEU . 0.4 OUTLIER -135.64 155.67 50.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.378 1.049 . . . . 0.0 110.387 -179.965 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.903 HD22 HD12 ' A' ' 28' ' ' LEU . 9.7 tt -137.28 138.7 40.32 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.58 1.175 . . . . 0.0 109.326 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.474 ' HA ' ' O ' ' A' ' 26' ' ' ILE . 0.0 OUTLIER -136.05 118.28 15.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 110.365 -179.942 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.798 HD23 HG21 ' A' ' 26' ' ' ILE . 0.3 OUTLIER -143.43 163.84 31.96 Favored 'General case' 0 N--CA 1.45 -0.432 0 O-C-N 124.459 1.099 . . . . 0.0 109.292 179.97 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . 0.721 ' O ' HD12 ' A' ' 75' ' ' LEU . 22.8 t -85.38 131.75 34.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 109.958 -179.908 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . 0.476 HE21 ' N ' ' A' ' 77' ' ' GLN . 0.0 OUTLIER -53.65 -30.01 41.03 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.513 1.133 . . . . 0.0 110.245 -179.973 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 7.7 tttt -53.95 -54.67 35.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.248 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 1.3 m170 -56.59 -37.77 71.09 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.479 1.112 . . . . 0.0 109.578 -179.858 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' TRP . . . . . 0.958 ' CE3' HD12 ' A' ' 26' ' ' ILE . 27.9 t-105 -61.18 -36.41 79.78 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 108.008 -1.108 . . . . 0.0 108.008 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -68.2 -35.78 78.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.427 1.079 . . . . 0.0 109.297 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . 0.587 ' O ' ' HB3' ' A' ' 83' ' ' ASP . 21.1 t -77.6 7.97 4.95 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.517 1.135 . . . . 0.0 110.008 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . 0.587 ' HB3' ' O ' ' A' ' 82' ' ' SER . 0.5 OUTLIER 69.36 147.38 0.06 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.496 1.122 . . . . 0.0 109.275 179.953 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.566 HH21 ' CB ' ' A' ' 82' ' ' SER . 0.0 OUTLIER -178.64 175.29 1.1 Allowed 'General case' 0 C--N 1.327 -0.403 0 O-C-N 124.454 1.096 . . . . 0.0 110.338 -179.938 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . 0.489 ' CG2' ' HB3' ' A' ' 47' ' ' ASP . 0.9 OUTLIER -135.8 110.29 8.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.13 . . . . 0.0 110.407 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . 0.906 ' CE1' ' CZ3' ' A' ' 80' ' ' TRP . 0.0 OUTLIER -108.91 137.15 47.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.549 1.155 . . . . 0.0 111.041 179.982 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . 1.161 ' HA ' ' CB ' ' A' ' 100' ' ' SER . 0.2 OUTLIER -149.23 124.58 10.24 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.456 1.097 . . . . 0.0 110.323 -179.928 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' CYS . . . . . 1.025 ' HB3' ' CZ3' ' A' ' 44' ' ' TRP . 5.0 p -84.43 99.09 10.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.641 1.213 . . . . 0.0 108.304 179.9 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . 0.478 ' HA ' ' O ' ' A' ' 97' ' ' PHE . 11.0 tt0 -88.64 101.84 14.37 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.42 1.075 . . . . 0.0 110.312 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 1.018 HG11 HG21 ' A' ' 32' ' ' VAL . 2.7 t -93.75 125.44 46.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.438 1.086 . . . . 0.0 109.317 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . 0.903 ' O ' ' HB ' ' A' ' 40' ' ' ILE . 0.4 OUTLIER -98.78 170.18 8.95 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.574 1.172 . . . . 0.0 110.384 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . 0.917 ' CE1' HG12 ' A' ' 90' ' ' VAL . 7.9 m-85 -145.65 157.11 44.0 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.566 1.166 . . . . 0.0 111.007 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 1.5 pp0? -46.98 -24.44 0.61 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.414 1.071 . . . . 0.0 110.3 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -158.52 36.16 0.51 Allowed Glycine 0 CA--C 1.531 1.073 0 O-C-N 124.484 1.115 . . . . 0.0 111.062 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' HIS . . . . . 0.499 ' CA ' ' HB2' ' A' ' 92' ' ' TYR . 3.6 t60 -161.11 176.44 11.31 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.564 0.803 . . . . 0.0 109.731 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 6.0 t -158.22 165.75 34.1 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.46 1.1 . . . . 0.0 110.43 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . 0.564 ' CD1' HG11 ' A' ' 9' ' ' VAL . 0.3 OUTLIER -168.31 165.71 12.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.437 1.086 . . . . 0.0 110.999 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . 0.477 ' HG2' ' CG2' ' A' ' 87' ' ' THR . 17.5 tt0 -160.41 125.57 3.87 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.525 1.141 . . . . 0.0 110.164 -179.885 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . 0.595 ' O ' ' SG ' ' A' ' 88' ' ' CYS . 18.5 m-20 -155.4 129.23 8.62 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.501 1.126 . . . . 0.0 109.291 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . 1.161 ' CB ' ' HA ' ' A' ' 87' ' ' THR . 41.0 t -164.59 -139.88 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 0.0 110.04 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . 0.621 HG23 ' CD1' ' A' ' 86' ' ' TYR . 9.0 t -134.36 173.01 12.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 110.413 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.323 -0.552 0 O-C-N 124.484 1.115 . . . . 0.0 109.291 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.524 ' O ' ' HA ' ' A' ' 32' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 110.437 -0.209 . . . . 0.0 110.437 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.656 HG23 ' HB ' ' A' ' 32' ' ' VAL . 2.6 p -132.16 141.59 44.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 109.297 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.57 ' CB ' HD12 ' A' ' 31' ' ' LEU . 2.7 mptt -136.02 159.91 40.25 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.487 1.117 . . . . 0.0 109.237 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.495 HD13 ' HA ' ' A' ' 11' ' ' ILE . 0.1 OUTLIER -132.71 116.27 26.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 109.379 179.916 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.662 ' CD1' HD11 ' A' ' 31' ' ' LEU . 80.8 mt -122.86 133.58 54.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.564 1.165 . . . . 0.0 109.227 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . 0.821 ' HB3' HD23 ' A' ' 28' ' ' LEU . 0.0 OUTLIER -105.6 145.23 31.26 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.505 1.128 . . . . 0.0 110.278 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.455 ' HB3' ' CB ' ' A' ' 27' ' ' GLN . 0.1 OUTLIER -133.15 76.8 1.7 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.571 1.169 . . . . 0.0 110.017 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 25.9 t . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 110.042 179.971 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.891 HG22 ' HA ' ' A' ' 76' ' ' SER . 2.1 p . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 110.389 -0.226 . . . . 0.0 110.389 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.807 HD12 ' CE3' ' A' ' 80' ' ' TRP . 0.0 OUTLIER -132.23 133.52 60.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.624 1.202 . . . . 0.0 109.198 -179.965 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.532 ' HA ' ' O ' ' A' ' 73' ' ' LEU . 0.0 OUTLIER -117.58 84.28 2.13 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.518 1.136 . . . . 0.0 110.282 179.861 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.821 HD23 ' HB3' ' A' ' 13' ' ' GLN . 0.2 OUTLIER -100.74 108.48 20.33 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.445 1.091 . . . . 0.0 109.301 179.962 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.76 ' HA ' ' HA ' ' A' ' 72' ' ' GLU . 0.4 OUTLIER -111.73 129.17 56.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.646 1.216 . . . . 0.0 109.318 179.958 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.448 ' CB ' ' HB2' ' A' ' 71' ' ' SER . 0.1 OUTLIER -91.11 142.5 27.68 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.489 1.118 . . . . 0.0 108.325 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.662 HD11 ' CD1' ' A' ' 12' ' ' LEU . 0.0 OUTLIER -112.08 98.25 7.21 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.58 1.175 . . . . 0.0 109.323 179.89 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 1.089 HG21 HG11 ' A' ' 90' ' ' VAL . 2.7 p -128.45 120.07 51.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.524 1.14 . . . . 0.0 109.367 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.929 ' CB ' ' HA ' ' A' ' 68' ' ' SER . 10.8 p -156.48 178.8 9.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.459 1.1 . . . . 0.0 110.013 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.412 ' HA2' ' HB3' ' A' ' 66' ' ' LEU . . . 84.82 -44.29 3.35 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.527 1.142 . . . . 0.0 110.969 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 1.085 ' CE2' HG22 ' A' ' 32' ' ' VAL . 4.9 p90 -65.69 155.76 35.02 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.486 0.757 . . . . 0.0 110.923 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.855 ' O ' ' HB3' ' A' ' 67' ' ' ALA . 3.6 m 48.83 144.17 0.01 OUTLIER Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.392 1.058 . . . . 0.0 110.378 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.604 ' HD2' HG22 ' A' ' 36' ' ' THR . 18.6 Cg_endo -75.0 -12.78 21.52 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.443 1.76 . . . . 0.0 110.935 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.57 ' O ' ' CB ' ' A' ' 39' ' ' THR . . . -124.94 -51.88 0.18 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.4 1.062 . . . . 0.0 110.999 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.665 ' O ' HG21 ' A' ' 36' ' ' THR . 0.9 OUTLIER 161.26 172.21 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.511 0.771 . . . . 0.0 110.418 179.975 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.961 ' HB ' ' O ' ' A' ' 91' ' ' THR . 1.3 pt -116.45 -142.59 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.531 1.144 . . . . 0.0 109.344 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . 0.529 ' C ' HD12 ' A' ' 42' ' ' ILE . 0.0 OUTLIER -112.12 128.31 56.18 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.541 1.15 . . . . 0.0 109.36 179.959 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 1.127 HG21 ' HB3' ' A' ' 58' ' ' ALA . 0.5 OUTLIER -106.19 117.28 51.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.57 1.169 . . . . 0.0 109.236 -179.935 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.619 HG22 ' O ' ' A' ' 89' ' ' GLN . 8.8 t -149.42 166.54 28.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 110.398 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 1.008 ' CZ3' ' HB3' ' A' ' 88' ' ' CYS . 11.4 m95 -139.49 128.59 23.77 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 0.0 108.007 179.888 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 10.0 tp -88.5 111.6 22.02 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.471 1.107 . . . . 0.0 109.25 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -100.94 142.96 31.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 110.359 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.54 ' CB ' ' HB ' ' A' ' 85' ' ' THR . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.616 1.197 . . . . 0.0 109.298 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.593 ' HB2' ' CB ' ' A' ' 75' ' ' LEU . 2.6 p30 . . . . . 0 N--CA 1.451 -0.38 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 1.146 HD22 ' N ' ' A' ' 56' ' ' SER . 0.0 OUTLIER -138.34 159.72 41.34 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.54 1.15 . . . . 0.0 109.369 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 1.146 ' N ' HD22 ' A' ' 55' ' ' LEU . 0.0 OUTLIER -125.64 134.46 51.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 109.937 -179.943 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -132.48 153.75 50.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.448 1.093 . . . . 0.0 110.341 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 1.127 ' HB3' HG21 ' A' ' 42' ' ' ILE . . . -134.94 151.81 51.18 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.487 1.117 . . . . 0.0 109.29 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . 0.618 ' O ' ' HA ' ' A' ' 69' ' ' THR . 0.6 OUTLIER -109.72 161.44 15.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 109.996 -179.946 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 2.2 t -104.13 146.59 28.52 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.507 1.129 . . . . 0.0 110.416 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -139.56 160.83 38.94 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.505 1.128 . . . . 0.0 110.397 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 3.0 mp0 -107.84 130.68 54.97 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.54 1.15 . . . . 0.0 110.272 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 1.056 ' O ' HD12 ' A' ' 66' ' ' LEU . 20.5 mt-10 -130.68 64.42 1.56 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 110.338 179.898 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 71.31 -107.16 2.08 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.608 1.193 . . . . 0.0 111.011 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -95.84 -2.99 46.33 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.531 0.783 . . . . 0.0 110.37 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 1.056 HD12 ' O ' ' A' ' 63' ' ' GLU . 0.0 OUTLIER -110.0 174.27 5.94 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.112 . . . . 0.0 109.299 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.855 ' HB3' ' O ' ' A' ' 36' ' ' THR . . . -136.05 120.31 17.87 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.497 1.123 . . . . 0.0 109.323 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . 0.929 ' HA ' ' CB ' ' A' ' 33' ' ' SER . 11.6 t -92.7 175.65 6.73 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.456 1.097 . . . . 0.0 110.005 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.661 ' HB ' ' OH ' ' A' ' 35' ' ' TYR . 1.2 m -170.12 117.66 0.56 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 110.38 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.65 ' O ' ' HA ' ' A' ' 58' ' ' ALA . 0.1 OUTLIER -99.4 120.32 39.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 110.329 179.902 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.92 ' CB ' ' HB2' ' A' ' 58' ' ' ALA . 1.9 m -109.71 145.94 35.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.424 1.077 . . . . 0.0 109.953 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.76 ' HA ' ' HA ' ' A' ' 29' ' ' LEU . 20.6 tt0 -136.87 160.97 37.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.398 1.061 . . . . 0.0 110.31 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.805 HD12 ' H ' ' A' ' 74' ' ' THR . 6.4 tp -138.65 140.46 38.87 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.513 1.133 . . . . 0.0 109.313 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.805 ' H ' HD12 ' A' ' 73' ' ' LEU . 0.0 OUTLIER -136.85 115.6 12.14 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.408 1.068 . . . . 0.0 110.491 -179.984 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.769 HD12 ' O ' ' A' ' 76' ' ' SER . 0.4 OUTLIER -141.91 157.0 45.49 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.453 1.096 . . . . 0.0 109.282 -179.918 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . 0.891 ' HA ' HG22 ' A' ' 25' ' ' THR . 39.1 t -86.48 137.22 32.7 Favored 'General case' 0 C--N 1.323 -0.583 0 O-C-N 124.523 1.14 . . . . 0.0 110.06 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 4.4 tm0? -52.79 -33.06 47.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.435 1.085 . . . . 0.0 110.308 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -53.52 -52.18 60.45 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.53 1.144 . . . . 0.0 109.316 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 2.9 m80 -58.3 -37.13 74.45 Favored 'General case' 0 C--N 1.327 -0.4 0 O-C-N 124.533 1.146 . . . . 0.0 109.563 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' TRP . . . . . 0.897 ' CZ3' ' CE1' ' A' ' 86' ' ' TYR . 36.7 t-105 -59.64 -44.75 93.38 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.587 1.179 . . . . 0.0 108.089 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -70.02 -31.34 68.94 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.513 1.133 . . . . 0.0 109.322 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . 0.778 ' HB3' HH21 ' A' ' 84' ' ' ARG . 48.4 t -78.18 9.28 3.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.427 1.079 . . . . 0.0 110.004 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . 0.512 ' HB3' ' O ' ' A' ' 82' ' ' SER . 0.2 OUTLIER 68.4 147.18 0.05 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.476 1.11 . . . . 0.0 109.237 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.778 HH21 ' HB3' ' A' ' 82' ' ' SER . 0.1 OUTLIER 178.34 175.8 0.53 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.447 1.092 . . . . 0.0 110.267 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . 0.54 ' HB ' ' CB ' ' A' ' 47' ' ' ASP . 0.9 OUTLIER -136.92 102.26 4.82 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.529 1.143 . . . . 0.0 110.451 179.938 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . 0.897 ' CE1' ' CZ3' ' A' ' 80' ' ' TRP . 0.0 OUTLIER -108.31 123.89 49.5 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.482 1.114 . . . . 0.0 110.993 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . 1.435 ' HA ' ' CB ' ' A' ' 100' ' ' SER . 50.6 m -144.5 131.82 20.76 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.434 1.084 . . . . 0.0 110.413 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' CYS . . . . . 1.008 ' HB3' ' CZ3' ' A' ' 44' ' ' TRP . 13.5 p -89.5 100.22 13.06 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 0.0 108.386 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . 0.619 ' O ' HG22 ' A' ' 43' ' ' THR . 34.6 tt0 -91.47 109.07 20.35 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.594 1.184 . . . . 0.0 110.358 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 1.089 HG11 HG21 ' A' ' 32' ' ' VAL . 2.8 t -100.87 124.86 54.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.53 1.144 . . . . 0.0 109.364 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . 0.961 ' O ' ' HB ' ' A' ' 40' ' ' ILE . 5.7 m -105.37 165.69 10.95 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.493 1.121 . . . . 0.0 110.415 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . 0.958 ' CE1' HG12 ' A' ' 90' ' ' VAL . 3.1 m-85 -140.55 156.59 46.26 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.47 1.106 . . . . 0.0 110.881 -179.896 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 1.1 pt20 -50.48 -20.98 1.29 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.643 1.214 . . . . 0.0 110.332 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -157.23 34.54 0.55 Allowed Glycine 0 CA--C 1.532 1.105 0 O-C-N 124.45 1.094 . . . . 0.0 110.923 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' HIS . . . . . 0.51 ' CA ' ' HB2' ' A' ' 92' ' ' TYR . 4.5 t60 -162.0 178.25 9.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.554 0.797 . . . . 0.0 109.576 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.41 ' HA ' ' HA ' ' A' ' 91' ' ' THR . 5.3 t -160.12 166.2 30.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.565 1.166 . . . . 0.0 110.401 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . 0.406 ' HD2' ' CE1' ' A' ' 92' ' ' TYR . 4.3 m-85 -165.56 160.53 17.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 110.933 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . 0.481 ' CG ' ' HB2' ' A' ' 89' ' ' GLN . 1.1 tt0 -158.78 119.77 3.34 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.37 1.044 . . . . 0.0 110.303 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . 0.49 ' O ' ' SG ' ' A' ' 88' ' ' CYS . 7.0 m-20 -151.52 127.5 10.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.105 . . . . 0.0 109.271 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . 1.435 ' CB ' ' HA ' ' A' ' 87' ' ' THR . 2.0 t -171.23 -150.77 0.07 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.561 1.163 . . . . 0.0 109.99 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . 0.678 HG23 ' CD1' ' A' ' 86' ' ' TYR . 10.0 t -136.28 175.52 9.53 Favored 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.37 1.044 . . . . 0.0 110.446 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 0.0 109.332 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.52 ' O ' ' HA ' ' A' ' 32' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 110.442 -0.207 . . . . 0.0 110.442 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.736 HG21 ' CE1' ' A' ' 97' ' ' PHE . 6.5 p -134.82 133.43 54.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.558 1.161 . . . . 0.0 109.276 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.629 ' HB2' HD11 ' A' ' 31' ' ' LEU . 0.3 OUTLIER -140.28 152.58 46.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.443 1.09 . . . . 0.0 109.34 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.569 ' CG1' ' HA ' ' A' ' 100' ' ' SER . 0.4 OUTLIER -127.91 109.94 20.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.481 1.113 . . . . 0.0 109.368 179.917 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.91 HD22 ' C ' ' A' ' 12' ' ' LEU . 0.0 OUTLIER -111.15 145.48 38.56 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.417 1.073 . . . . 0.0 109.252 -179.969 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . 0.627 ' N ' HD22 ' A' ' 12' ' ' LEU . 0.0 OUTLIER -104.21 143.64 32.67 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.403 1.065 . . . . 0.0 110.384 179.941 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.416 ' HB3' ' CB ' ' A' ' 27' ' ' GLN . 0.1 OUTLIER -132.39 74.02 1.56 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 110.07 -179.97 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 96.2 p . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.439 1.087 . . . . 0.0 110.127 179.958 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.433 ' HB ' ' O ' ' A' ' 75' ' ' LEU . 4.6 p . . . . . 0 N--CA 1.452 -0.341 0 N-CA-C 110.422 -0.214 . . . . 0.0 110.422 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 1.106 HG21 HD23 ' A' ' 75' ' ' LEU . 0.7 OUTLIER -133.58 130.53 56.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.472 1.107 . . . . 0.0 109.248 -179.98 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.416 ' CB ' ' HB3' ' A' ' 14' ' ' SER . 2.9 mt-30 -114.05 84.08 1.98 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.548 1.155 . . . . 0.0 110.321 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.857 ' C ' HD13 ' A' ' 29' ' ' LEU . 4.2 mt -96.46 105.28 17.34 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.545 1.153 . . . . 0.0 109.212 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.866 HD13 ' N ' ' A' ' 29' ' ' LEU . 0.0 OUTLIER -105.76 124.45 49.58 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.448 1.092 . . . . 0.0 109.326 179.937 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.475 ' CB ' ' HB2' ' A' ' 71' ' ' SER . 0.5 OUTLIER -94.85 116.66 29.0 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.57 1.169 . . . . 0.0 108.291 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.629 HD11 ' HB2' ' A' ' 10' ' ' LYS . 3.2 pp -89.64 109.9 20.82 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 109.294 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 1.178 HG22 ' CE2' ' A' ' 35' ' ' TYR . 2.4 p -136.75 108.64 6.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.416 1.072 . . . . 0.0 109.325 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.883 ' CB ' ' HA ' ' A' ' 68' ' ' SER . 12.9 p -147.72 -177.6 5.81 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.521 1.138 . . . . 0.0 109.989 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.632 ' HA2' ' HB3' ' A' ' 66' ' ' LEU . . . 80.81 -47.66 3.57 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.581 1.175 . . . . 0.0 111.06 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 1.178 ' CE2' HG22 ' A' ' 32' ' ' VAL . 11.0 p90 -64.32 154.75 34.38 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.388 0.699 . . . . 0.0 111.009 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.753 HG21 ' O ' ' A' ' 39' ' ' THR . 3.8 m 46.98 139.35 0.0 OUTLIER Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.139 . . . . 0.0 110.405 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.446 ' HD3' ' HA ' ' A' ' 36' ' ' THR . 18.1 Cg_endo -74.99 -15.42 20.78 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.516 1.798 . . . . 0.0 110.949 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.648 ' O ' HG22 ' A' ' 39' ' ' THR . . . -124.47 3.79 8.79 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.507 1.129 . . . . 0.0 110.973 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.753 ' O ' HG21 ' A' ' 36' ' ' THR . 0.6 OUTLIER 92.23 -167.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.567 0.804 . . . . 0.0 110.404 -179.969 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.916 ' HB ' ' O ' ' A' ' 91' ' ' THR . 0.8 OUTLIER -130.67 -141.47 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 109.182 -179.851 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . 0.906 ' C ' HD13 ' A' ' 42' ' ' ILE . 46.4 t30 -116.22 162.98 16.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 0.0 109.225 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.906 HD13 ' C ' ' A' ' 41' ' ' ASN . 1.1 mm -115.34 133.12 62.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.546 1.154 . . . . 0.0 109.341 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.586 ' C ' ' CD1' ' A' ' 44' ' ' TRP . 1.9 m -154.81 158.26 39.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 110.353 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 1.113 ' CZ3' ' HB3' ' A' ' 88' ' ' CYS . 20.1 m95 -149.05 130.46 14.75 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.61 1.194 . . . . 0.0 107.949 -179.87 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.424 ' CB ' ' OE1' ' A' ' 98' ' ' GLU . 0.2 OUTLIER -100.51 110.44 22.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.279 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.4 ' HA ' ' O ' ' A' ' 85' ' ' THR . 0.0 OUTLIER -100.15 101.25 12.25 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.55 1.156 . . . . 0.0 110.254 179.972 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.516 ' O ' ' HA ' ' A' ' 84' ' ' ARG . 9.8 t0 . . . . . 0 C--N 1.327 -0.408 0 O-C-N 124.401 1.063 . . . . 0.0 109.365 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.583 ' CB ' ' HB2' ' A' ' 75' ' ' LEU . 4.1 m-20 . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 1.099 HD22 ' N ' ' A' ' 56' ' ' SER . 0.0 OUTLIER -141.96 160.33 40.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.433 1.083 . . . . 0.0 109.249 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 1.099 ' N ' HD22 ' A' ' 55' ' ' LEU . 0.2 OUTLIER -129.99 132.96 46.48 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.476 1.11 . . . . 0.0 109.92 -179.965 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -130.79 157.83 41.8 Favored 'General case' 0 C--N 1.327 -0.397 0 O-C-N 124.518 1.136 . . . . 0.0 110.358 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.811 ' HB3' ' CG2' ' A' ' 42' ' ' ILE . . . -134.14 150.5 51.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.42 1.075 . . . . 0.0 109.268 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . 0.609 ' O ' ' HA ' ' A' ' 69' ' ' THR . 0.5 OUTLIER -108.65 151.83 25.62 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.451 1.094 . . . . 0.0 110.022 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . 0.55 ' HB ' HG21 ' A' ' 39' ' ' THR . 1.3 t -105.2 142.38 35.06 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.439 1.087 . . . . 0.0 110.474 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . 0.722 ' OG1' ' O ' ' A' ' 68' ' ' SER . 0.6 OUTLIER -142.75 158.12 43.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.55 1.156 . . . . 0.0 110.341 -179.903 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 5.4 tt0 -95.25 130.41 42.01 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.498 1.124 . . . . 0.0 110.312 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -129.27 63.39 1.5 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.471 1.107 . . . . 0.0 110.269 -179.914 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 73.69 -107.2 2.18 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.459 1.1 . . . . 0.0 111.006 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -100.21 0.01 39.57 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.437 0.728 . . . . 0.0 110.311 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.632 ' HB3' ' HA2' ' A' ' 34' ' ' GLY . 5.7 mp -114.27 -179.38 3.62 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.489 1.118 . . . . 0.0 109.324 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.728 ' HB3' ' O ' ' A' ' 36' ' ' THR . . . -133.98 121.65 21.94 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.131 . . . . 0.0 109.333 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . 0.883 ' HA ' ' CB ' ' A' ' 33' ' ' SER . 23.0 t -104.2 119.81 39.76 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.549 1.156 . . . . 0.0 109.995 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.714 ' HB ' ' OH ' ' A' ' 35' ' ' TYR . 0.8 OUTLIER -122.76 114.67 20.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.602 1.189 . . . . 0.0 110.383 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.589 ' O ' ' HA ' ' A' ' 58' ' ' ALA . 29.8 pt20 -91.66 127.72 37.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.451 1.095 . . . . 0.0 110.358 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.738 ' CB ' ' HB2' ' A' ' 58' ' ' ALA . 0.8 OUTLIER -111.05 143.07 42.34 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.541 1.151 . . . . 0.0 110.003 179.979 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.648 ' HA ' ' HA ' ' A' ' 29' ' ' LEU . 0.9 OUTLIER -134.11 152.93 52.06 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.487 1.117 . . . . 0.0 110.306 -179.956 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.822 HD13 HD12 ' A' ' 28' ' ' LEU . 6.3 tt -134.44 139.03 45.24 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.564 1.165 . . . . 0.0 109.248 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.773 ' N ' HD23 ' A' ' 73' ' ' LEU . 0.0 OUTLIER -134.32 114.93 13.5 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.446 1.091 . . . . 0.0 110.386 179.94 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 1.106 HD23 HG21 ' A' ' 26' ' ' ILE . 0.1 OUTLIER -142.31 136.77 30.05 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.392 1.058 . . . . 0.0 109.333 -179.971 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . 0.655 ' O ' HD12 ' A' ' 75' ' ' LEU . 0.4 OUTLIER -71.72 164.33 26.14 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 110.047 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . 0.417 ' O ' ' HB3' ' A' ' 80' ' ' TRP . 0.0 OUTLIER -69.85 -39.56 76.33 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.398 1.061 . . . . 0.0 110.303 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 24.6 tttt -51.99 -54.45 29.72 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.486 1.116 . . . . 0.0 109.301 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . 0.489 ' CE1' ' HB2' ' A' ' 76' ' ' SER . 7.7 m170 -59.81 -34.73 73.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 109.579 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' TRP . . . . . 0.902 ' CZ3' ' CE1' ' A' ' 86' ' ' TYR . 41.7 t-105 -62.44 -43.85 97.82 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.532 1.145 . . . . 0.0 107.978 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 1.2 tp -67.7 -22.0 65.29 Favored 'General case' 0 C--N 1.323 -0.568 0 O-C-N 124.515 1.134 . . . . 0.0 109.312 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . 0.851 ' HB3' HH21 ' A' ' 84' ' ' ARG . 0.3 OUTLIER -74.35 -9.68 58.83 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.482 1.114 . . . . 0.0 109.88 -179.934 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . 0.663 ' O ' ' CB ' ' A' ' 84' ' ' ARG . 0.3 OUTLIER 87.22 -158.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.583 1.177 . . . . 0.0 109.191 179.961 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.851 HH21 ' HB3' ' A' ' 82' ' ' SER . 5.8 ptp180 100.63 168.74 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.488 1.117 . . . . 0.0 110.241 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . 0.893 HG23 ' HB3' ' A' ' 102' ' ' LYS . 45.9 m -121.74 112.61 18.61 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.438 1.086 . . . . 0.0 110.4 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . 0.902 ' CE1' ' CZ3' ' A' ' 80' ' ' TRP . 0.0 OUTLIER -101.88 92.97 5.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.593 1.183 . . . . 0.0 111.015 -179.968 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . 1.232 ' HA ' ' CB ' ' A' ' 100' ' ' SER . 0.2 OUTLIER -113.29 139.61 48.69 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 110.449 179.955 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' CYS . . . . . 1.113 ' HB3' ' CZ3' ' A' ' 44' ' ' TRP . 28.1 p -90.17 104.16 16.76 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.496 1.123 . . . . 0.0 108.283 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . 0.494 ' H ' ' HA ' ' A' ' 44' ' ' TRP . 3.8 tt0 -93.22 106.25 18.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.56 1.163 . . . . 0.0 110.36 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.909 HG11 HG21 ' A' ' 32' ' ' VAL . 3.4 t -96.4 133.05 39.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.521 1.138 . . . . 0.0 109.342 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . 0.916 ' O ' ' HB ' ' A' ' 40' ' ' ILE . 0.8 OUTLIER -103.7 163.64 12.19 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.482 1.114 . . . . 0.0 110.396 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . 0.817 ' CE1' HG12 ' A' ' 90' ' ' VAL . 27.1 m-85 -140.22 158.61 43.77 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.13 . . . . 0.0 111.038 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -46.56 -27.39 1.11 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.373 1.046 . . . . 0.0 110.261 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -157.11 36.19 0.56 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.408 1.068 . . . . 0.0 111.066 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' HIS . . . . . 0.461 ' CA ' ' HB2' ' A' ' 92' ' ' TYR . 5.8 t60 -158.99 171.34 20.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.559 0.799 . . . . 0.0 109.505 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 8.4 t -161.48 161.18 29.97 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.563 1.165 . . . . 0.0 110.419 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . 0.736 ' CE1' HG21 ' A' ' 9' ' ' VAL . 0.0 OUTLIER -169.72 163.48 9.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 0.0 110.982 -179.944 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . 0.448 ' HG2' ' CG2' ' A' ' 87' ' ' THR . 32.2 tt0 -155.58 126.52 7.02 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.446 1.091 . . . . 0.0 110.223 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . 0.612 ' O ' ' SG ' ' A' ' 88' ' ' CYS . 1.0 OUTLIER -156.48 134.04 10.85 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.651 1.22 . . . . 0.0 109.268 179.986 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . 1.232 ' CB ' ' HA ' ' A' ' 87' ' ' THR . 3.3 t -171.54 -136.69 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.514 1.134 . . . . 0.0 109.974 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . 0.759 HG23 ' CD1' ' A' ' 86' ' ' TYR . 8.7 t -133.78 178.5 6.89 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 110.374 -179.915 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . 0.893 ' HB3' HG23 ' A' ' 85' ' ' THR . 0.0 OUTLIER . . . . . 0 C--N 1.323 -0.555 0 O-C-N 124.558 1.162 . . . . 0.0 109.261 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.513 ' O ' ' HA ' ' A' ' 32' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.451 -0.385 0 N-CA-C 110.411 -0.218 . . . . 0.0 110.411 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.766 HG23 ' HB ' ' A' ' 32' ' ' VAL . 2.2 p -131.64 143.96 38.84 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 O-C-N 124.47 1.106 . . . . 0.0 109.33 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.595 ' N ' ' O ' ' A' ' 31' ' ' LEU . 5.8 mttt -134.85 156.07 49.55 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.487 1.117 . . . . 0.0 109.272 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.813 HD11 HD22 ' A' ' 28' ' ' LEU . 0.0 OUTLIER -128.44 113.71 30.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.507 1.13 . . . . 0.0 109.241 -179.9 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.921 HD12 HD11 ' A' ' 31' ' ' LEU . 95.3 mt -117.8 134.45 54.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.451 1.095 . . . . 0.0 109.299 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -105.32 143.7 33.13 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.425 1.078 . . . . 0.0 110.331 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.413 ' HB2' ' O ' ' A' ' 27' ' ' GLN . 0.1 OUTLIER -132.14 75.58 1.65 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.4 1.062 . . . . 0.0 110.041 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 91.2 p . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 110.031 179.981 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.616 HG22 ' HA ' ' A' ' 76' ' ' SER . 37.4 p . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 110.395 -0.224 . . . . 0.0 110.395 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.898 HD12 ' CZ3' ' A' ' 80' ' ' TRP . 0.1 OUTLIER -132.24 129.16 59.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.451 1.094 . . . . 0.0 109.357 -179.97 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.551 ' HA ' ' O ' ' A' ' 73' ' ' LEU . 1.1 mt-30 -113.81 88.2 2.79 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.417 1.073 . . . . 0.0 110.287 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.813 HD22 HD11 ' A' ' 11' ' ' ILE . 4.8 mt -94.34 100.36 12.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.399 1.062 . . . . 0.0 109.229 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.69 ' HA ' ' HA ' ' A' ' 72' ' ' GLU . 10.6 mp -98.91 120.74 39.86 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.524 1.14 . . . . 0.0 109.272 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.587 ' HB2' ' CZ2' ' A' ' 44' ' ' TRP . 0.0 OUTLIER -93.78 137.01 33.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 108.345 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.921 HD11 HD12 ' A' ' 12' ' ' LEU . 1.2 mp -109.79 108.14 18.37 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.571 1.169 . . . . 0.0 109.299 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 1.061 HG22 ' CE2' ' A' ' 35' ' ' TYR . 3.6 p -132.28 117.75 33.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.353 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.899 ' CB ' ' HA ' ' A' ' 68' ' ' SER . 20.3 p -152.61 -177.03 5.98 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.562 1.164 . . . . 0.0 110.046 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.524 ' CA ' HD23 ' A' ' 66' ' ' LEU . . . 81.42 -47.37 3.6 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.41 1.069 . . . . 0.0 110.987 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 1.061 ' CE2' HG22 ' A' ' 32' ' ' VAL . 5.3 p90 -62.76 158.1 19.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.461 0.742 . . . . 0.0 110.931 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.959 ' O ' ' HB3' ' A' ' 67' ' ' ALA . 4.0 m 45.32 142.71 0.0 OUTLIER Pre-proline 0 C--N 1.326 -0.421 0 O-C-N 124.49 1.119 . . . . 0.0 110.38 -179.912 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.539 ' HD2' HG22 ' A' ' 36' ' ' THR . 18.4 Cg_endo -75.09 -12.03 21.33 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.453 1.765 . . . . 0.0 111.035 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.533 ' O ' ' CB ' ' A' ' 39' ' ' THR . . . -124.03 -53.82 0.19 Allowed Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.502 1.126 . . . . 0.0 111.017 179.891 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.725 ' O ' HG21 ' A' ' 36' ' ' THR . 0.9 OUTLIER 164.34 173.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.453 0.737 . . . . 0.0 110.457 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.928 ' HB ' ' O ' ' A' ' 91' ' ' THR . 1.7 pt -121.55 -141.95 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.464 1.103 . . . . 0.0 109.282 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . 0.729 ' CB ' HG22 ' A' ' 91' ' ' THR . 8.6 t-20 -112.83 154.96 25.46 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.102 . . . . 0.0 109.3 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.907 HG21 ' HB3' ' A' ' 58' ' ' ALA . 3.4 mt -126.02 116.9 47.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.552 1.158 . . . . 0.0 109.261 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.533 ' C ' ' CD1' ' A' ' 44' ' ' TRP . 1.7 m -149.25 157.75 43.61 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.512 1.133 . . . . 0.0 110.429 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.983 ' CZ3' ' HB3' ' A' ' 88' ' ' CYS . 7.8 m95 -139.76 129.96 25.21 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.538 1.149 . . . . 0.0 108.009 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.401 ' HB2' ' OE2' ' A' ' 98' ' ' GLU . 0.2 OUTLIER -95.6 118.0 31.49 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.39 1.056 . . . . 0.0 109.29 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.404 ' OE2' ' HG2' ' A' ' 84' ' ' ARG . 4.6 tm-20 -99.08 146.34 26.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 110.331 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.508 ' CB ' ' HB ' ' A' ' 85' ' ' THR . 0.1 OUTLIER . . . . . 0 C--N 1.326 -0.441 0 O-C-N 124.426 1.079 . . . . 0.0 109.264 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.513 ' CB ' ' HB2' ' A' ' 75' ' ' LEU . 47.8 t0 . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 1.115 HD22 ' N ' ' A' ' 56' ' ' SER . 0.0 OUTLIER -134.2 152.58 51.9 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.449 1.093 . . . . 0.0 109.277 -179.942 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 1.115 ' N ' HD22 ' A' ' 55' ' ' LEU . 0.0 OUTLIER -129.53 135.68 48.9 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.11 . . . . 0.0 109.947 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.416 ' O ' ' N ' ' A' ' 72' ' ' GLU . 0.2 OUTLIER -129.02 153.25 47.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.603 1.189 . . . . 0.0 110.428 179.929 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.907 ' HB3' HG21 ' A' ' 42' ' ' ILE . . . -133.45 155.04 50.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 109.259 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . 0.583 ' O ' ' HA ' ' A' ' 69' ' ' THR . 8.6 t -109.51 170.45 8.05 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 110.016 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 2.4 t -104.09 146.97 27.96 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.555 1.159 . . . . 0.0 110.378 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . 0.532 ' HG1' ' CB ' ' A' ' 68' ' ' SER . 0.6 OUTLIER -137.4 158.95 43.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 110.403 -179.932 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 11.6 mt-30 -116.32 131.99 56.79 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.596 1.185 . . . . 0.0 110.315 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -137.04 63.99 1.55 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.424 1.078 . . . . 0.0 110.305 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 72.24 -108.47 2.5 Favored Glycine 0 CA--C 1.528 0.867 0 O-C-N 124.608 1.193 . . . . 0.0 111.008 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -94.83 -2.07 51.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.363 0.684 . . . . 0.0 110.317 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.524 HD23 ' CA ' ' A' ' 34' ' ' GLY . 2.4 mp -108.26 169.04 8.88 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.42 1.075 . . . . 0.0 109.322 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.959 ' HB3' ' O ' ' A' ' 36' ' ' THR . . . -134.76 121.21 20.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 109.33 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . 0.899 ' HA ' ' CB ' ' A' ' 33' ' ' SER . 11.7 t -96.43 179.9 4.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.619 1.199 . . . . 0.0 110.078 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.665 ' HB ' ' OH ' ' A' ' 35' ' ' TYR . 1.0 OUTLIER -170.9 122.48 0.59 Allowed 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.407 1.067 . . . . 0.0 110.311 179.894 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.768 ' O ' ' HA ' ' A' ' 58' ' ' ALA . 46.7 mt-30 -97.92 117.26 31.85 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 110.329 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.814 ' CB ' ' HB2' ' A' ' 58' ' ' ALA . 0.7 OUTLIER -106.54 146.33 30.76 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.434 1.084 . . . . 0.0 109.938 -179.957 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.69 ' HA ' ' HA ' ' A' ' 29' ' ' LEU . 0.2 OUTLIER -138.62 151.33 47.15 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.495 1.122 . . . . 0.0 110.333 179.926 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.773 HD22 ' HB2' ' A' ' 28' ' ' LEU . 8.9 tt -131.14 140.82 50.03 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.391 1.057 . . . . 0.0 109.265 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -140.48 117.72 11.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.439 1.087 . . . . 0.0 110.43 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.707 HD21 ' CE2' ' A' ' 86' ' ' TYR . 0.2 OUTLIER -149.91 146.66 27.2 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.511 1.132 . . . . 0.0 109.233 -179.965 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . 0.616 ' HA ' HG22 ' A' ' 25' ' ' THR . 0.2 OUTLIER -63.76 138.39 58.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 110.075 179.942 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 2.0 mm-40 -67.01 -33.83 76.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.115 . . . . 0.0 110.328 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.18 -53.12 47.17 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 0.0 109.317 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . 0.53 ' ND1' ' CZ ' ' A' ' 84' ' ' ARG . 0.5 OUTLIER -60.4 -38.16 83.1 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.609 179.955 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' TRP . . . . . 0.898 ' CZ3' HD12 ' A' ' 26' ' ' ILE . 5.2 t-105 -59.16 -40.29 85.1 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.051 -1.092 . . . . 0.0 108.051 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -68.92 -31.76 70.89 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.444 1.09 . . . . 0.0 109.317 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . 0.638 ' O ' ' HB2' ' A' ' 83' ' ' ASP . 47.4 m -77.22 5.46 8.41 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.49 1.119 . . . . 0.0 110.042 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . 0.638 ' HB2' ' O ' ' A' ' 82' ' ' SER . 26.0 m-20 84.07 148.17 0.07 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.125 . . . . 0.0 109.346 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.53 ' CZ ' ' ND1' ' A' ' 79' ' ' HIS . 0.0 OUTLIER 179.66 170.67 1.07 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.613 1.196 . . . . 0.0 110.289 -179.906 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . 0.508 ' HB ' ' CB ' ' A' ' 47' ' ' ASP . 1.7 m -138.27 103.12 4.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.593 1.183 . . . . 0.0 110.299 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . 0.857 ' CZ ' ' CE3' ' A' ' 80' ' ' TRP . 0.0 OUTLIER -107.78 138.09 44.63 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.473 1.108 . . . . 0.0 111.126 179.89 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . 1.245 ' HA ' ' CB ' ' A' ' 100' ' ' SER . 0.2 OUTLIER -149.44 124.43 10.0 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.13 . . . . 0.0 110.373 -179.927 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' CYS . . . . . 0.983 ' HB3' ' CZ3' ' A' ' 44' ' ' TRP . 8.9 p -84.79 97.01 9.46 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.457 1.098 . . . . 0.0 108.398 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . 0.529 ' CA ' ' HG3' ' A' ' 98' ' ' GLU . 1.6 tt0 -88.69 101.16 13.71 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.454 1.096 . . . . 0.0 110.329 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.976 HG11 HG21 ' A' ' 32' ' ' VAL . 3.3 t -93.79 126.7 46.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.424 1.077 . . . . 0.0 109.275 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . 0.928 ' O ' ' HB ' ' A' ' 40' ' ' ILE . 0.4 OUTLIER -99.14 171.61 7.9 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 110.405 179.935 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . 0.853 ' CE1' HG12 ' A' ' 90' ' ' VAL . 7.8 m-85 -146.95 157.07 43.53 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.548 1.155 . . . . 0.0 110.908 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . 0.521 ' HG2' HG23 ' A' ' 36' ' ' THR . 0.3 OUTLIER -46.3 -25.71 0.68 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.486 1.117 . . . . 0.0 110.285 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -157.83 36.24 0.54 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.482 1.114 . . . . 0.0 111.031 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' HIS . . . . . 0.499 ' CA ' ' HB2' ' A' ' 92' ' ' TYR . 2.6 t-80 -161.34 171.33 18.48 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.45 0.736 . . . . 0.0 109.532 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 5.8 t -161.42 161.56 30.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.558 1.161 . . . . 0.0 110.397 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . 0.656 ' CD1' HG11 ' A' ' 9' ' ' VAL . 22.9 t80 -171.73 166.37 6.56 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.622 1.202 . . . . 0.0 110.97 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . 0.78 ' HG2' HG22 ' A' ' 87' ' ' THR . 14.2 tt0 -149.32 133.47 17.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.42 1.075 . . . . 0.0 110.362 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . 0.637 ' O ' ' SG ' ' A' ' 88' ' ' CYS . 0.0 OUTLIER -151.79 123.05 7.72 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.575 1.172 . . . . 0.0 109.222 -179.971 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . 1.245 ' CB ' ' HA ' ' A' ' 87' ' ' THR . 26.9 t -168.6 -147.88 0.07 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 110.017 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . 0.831 HG23 ' CD1' ' A' ' 86' ' ' TYR . 4.6 t -134.11 177.34 7.82 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.432 1.082 . . . . 0.0 110.385 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . 0.471 ' HB3' HG23 ' A' ' 85' ' ' THR . 16.3 pttt . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.432 1.083 . . . . 0.0 109.28 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.525 ' O ' ' HA ' ' A' ' 32' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.255 0 N-CA-C 110.345 -0.243 . . . . 0.0 110.345 . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.805 HG23 ' HB ' ' A' ' 32' ' ' VAL . 3.1 p -125.5 145.79 32.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 109.354 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.582 ' N ' ' O ' ' A' ' 31' ' ' LEU . 30.6 mmtt -136.35 155.1 50.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.12 . . . . 0.0 109.246 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.604 HD12 ' N ' ' A' ' 12' ' ' LEU . 0.0 OUTLIER -130.31 109.73 17.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 109.325 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.604 ' N ' HD12 ' A' ' 11' ' ' ILE . 30.9 mt -117.41 137.43 52.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.143 . . . . 0.0 109.294 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -107.68 150.26 27.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.561 1.163 . . . . 0.0 110.332 -179.912 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.476 ' HB2' ' CB ' ' A' ' 27' ' ' GLN . 2.2 m -132.46 72.74 1.5 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.421 1.076 . . . . 0.0 109.975 -179.915 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 7.0 t . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.563 1.165 . . . . 0.0 110.018 -179.999 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.512 HG22 ' HA ' ' A' ' 76' ' ' SER . 24.8 p . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 110.386 -0.227 . . . . 0.0 110.386 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 1.025 HG23 HD13 ' A' ' 75' ' ' LEU . 0.3 OUTLIER -135.4 136.97 50.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 O-C-N 124.495 1.122 . . . . 0.0 109.294 179.954 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.52 ' HA ' ' O ' ' A' ' 73' ' ' LEU . 0.6 OUTLIER -114.32 96.19 5.66 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.489 1.118 . . . . 0.0 110.236 -179.973 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.627 ' O ' ' CB ' ' A' ' 73' ' ' LEU . 3.5 mt -101.08 103.31 14.4 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.52 1.138 . . . . 0.0 109.297 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.746 ' HA ' ' HA ' ' A' ' 72' ' ' GLU . 0.4 OUTLIER -110.11 128.91 55.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.403 1.064 . . . . 0.0 109.341 179.966 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.479 ' SG ' ' O ' ' A' ' 10' ' ' LYS . 0.1 OUTLIER -93.66 135.52 34.87 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.469 1.105 . . . . 0.0 108.315 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.582 ' O ' ' N ' ' A' ' 10' ' ' LYS . 3.4 mp -103.12 100.95 10.89 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.572 1.17 . . . . 0.0 109.268 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 1.214 HG22 ' CE2' ' A' ' 35' ' ' TYR . 3.8 p -131.42 122.1 49.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 O-C-N 124.52 1.137 . . . . 0.0 109.268 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.904 ' CB ' ' HA ' ' A' ' 68' ' ' SER . 21.7 p -154.98 -176.0 5.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.12 . . . . 0.0 109.929 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.533 ' O ' ' HB3' ' A' ' 66' ' ' LEU . . . 78.81 -47.24 3.04 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.456 1.098 . . . . 0.0 110.987 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 1.214 ' CE2' HG22 ' A' ' 32' ' ' VAL . 12.1 p90 -60.86 143.01 55.68 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 0.769 . . . . 0.0 110.871 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.879 ' O ' ' HB3' ' A' ' 67' ' ' ALA . 9.4 m 48.87 138.63 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.612 1.195 . . . . 0.0 110.411 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.49 ' C ' ' HB2' ' A' ' 67' ' ' ALA . 18.2 Cg_endo -75.13 -8.07 19.61 Favored 'Trans proline' 0 C--N 1.361 1.226 0 O-C-N 124.55 1.816 . . . . 0.0 111.01 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.644 ' O ' HG22 ' A' ' 39' ' ' THR . . . -124.77 4.8 8.54 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.394 1.059 . . . . 0.0 111.027 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.76 HG23 ' N ' ' A' ' 40' ' ' ILE . 0.6 OUTLIER 92.82 -164.59 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.581 0.812 . . . . 0.0 110.3 -179.959 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 1.177 HG21 ' CD2' ' A' ' 92' ' ' TYR . 2.3 pt -133.83 -141.21 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 O-C-N 124.476 1.11 . . . . 0.0 109.179 -179.898 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . 0.54 ' C ' HD13 ' A' ' 42' ' ' ILE . 24.8 t-20 -113.85 159.63 19.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.543 1.152 . . . . 0.0 109.383 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.718 ' CG2' ' HB3' ' A' ' 58' ' ' ALA . 1.4 mm -117.0 127.86 74.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 O-C-N 124.531 1.144 . . . . 0.0 109.287 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.569 ' C ' ' CD1' ' A' ' 44' ' ' TRP . 2.0 m -154.42 158.68 40.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 110.397 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 1.067 ' CZ3' ' HB3' ' A' ' 88' ' ' CYS . 18.3 m95 -146.79 130.55 17.03 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.139 . . . . 0.0 108.025 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.434 HD22 ' HA ' ' A' ' 45' ' ' LEU . 0.2 OUTLIER -94.83 110.8 22.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.436 1.085 . . . . 0.0 109.279 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -98.97 148.76 23.66 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.465 1.103 . . . . 0.0 110.338 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.525 ' CB ' ' HB ' ' A' ' 85' ' ' THR . 0.4 OUTLIER . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.451 1.094 . . . . 0.0 109.308 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.441 ' HA ' ' O ' ' A' ' 74' ' ' THR . 1.6 m-20 . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 1.1 HD22 ' N ' ' A' ' 56' ' ' SER . 0.0 OUTLIER -136.17 161.62 35.23 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 0.0 109.259 179.973 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 1.1 ' N ' HD22 ' A' ' 55' ' ' LEU . 0.0 OUTLIER -130.01 134.04 47.15 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.442 1.089 . . . . 0.0 110.005 -179.975 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.443 ' O ' ' N ' ' A' ' 72' ' ' GLU . 0.3 OUTLIER -132.2 156.12 47.03 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.549 1.156 . . . . 0.0 110.5 179.942 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.722 ' HB2' ' CB ' ' A' ' 71' ' ' SER . . . -130.22 151.59 50.57 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.59 1.182 . . . . 0.0 109.403 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . 0.515 ' N ' ' O ' ' A' ' 70' ' ' GLN . 0.2 OUTLIER -106.34 162.61 13.53 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.533 1.145 . . . . 0.0 109.967 -179.964 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . 0.559 HG23 ' CB ' ' A' ' 39' ' ' THR . 2.3 m -107.13 141.69 38.0 Favored 'General case' 0 C--N 1.323 -0.573 0 O-C-N 124.571 1.17 . . . . 0.0 110.354 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . 0.678 ' OG1' ' O ' ' A' ' 68' ' ' SER . 0.0 OUTLIER -145.0 156.42 43.94 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.482 1.113 . . . . 0.0 110.423 179.95 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 2.9 tt0 -99.08 129.32 45.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.122 . . . . 0.0 110.293 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.994 ' O ' HD12 ' A' ' 66' ' ' LEU . 0.1 OUTLIER -127.03 64.07 1.31 Allowed 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.469 1.106 . . . . 0.0 110.323 179.957 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 73.69 -107.07 2.14 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.419 1.075 . . . . 0.0 111.018 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -101.14 0.19 37.26 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.432 0.725 . . . . 0.0 110.303 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.994 HD12 ' O ' ' A' ' 63' ' ' GLU . 0.0 OUTLIER -112.95 178.77 4.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 109.295 179.982 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.879 ' HB3' ' O ' ' A' ' 36' ' ' THR . . . -128.72 120.22 26.06 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.507 1.129 . . . . 0.0 109.301 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . 0.904 ' HA ' ' CB ' ' A' ' 33' ' ' SER . 43.7 t -106.23 121.08 43.47 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.374 1.046 . . . . 0.0 110.005 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.888 ' HB ' ' OH ' ' A' ' 35' ' ' TYR . 0.7 OUTLIER -122.34 121.98 37.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.567 1.167 . . . . 0.0 110.379 -179.95 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.648 ' O ' ' HA ' ' A' ' 58' ' ' ALA . 0.1 OUTLIER -95.87 125.66 40.58 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.448 1.092 . . . . 0.0 110.3 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.722 ' CB ' ' HB2' ' A' ' 58' ' ' ALA . 0.7 OUTLIER -108.29 144.59 35.58 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.477 1.111 . . . . 0.0 109.945 -179.95 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.746 ' HA ' ' HA ' ' A' ' 29' ' ' LEU . 44.2 tt0 -133.58 160.83 36.31 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.475 1.11 . . . . 0.0 110.324 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.909 ' HG ' HD11 ' A' ' 75' ' ' LEU . 18.2 tp -139.04 146.24 40.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.45 1.094 . . . . 0.0 109.357 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.723 ' H ' HD12 ' A' ' 73' ' ' LEU . 0.7 OUTLIER -139.87 118.42 12.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.449 1.093 . . . . 0.0 110.425 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 1.025 HD13 HG23 ' A' ' 26' ' ' ILE . 0.0 OUTLIER -140.58 162.49 35.24 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 109.364 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . 0.512 ' HA ' HG22 ' A' ' 25' ' ' THR . 0.1 OUTLIER -89.12 137.92 31.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.11 . . . . 0.0 110.076 179.952 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 21.1 tp60 -56.35 -36.39 68.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.313 1.008 . . . . 0.0 110.236 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.56 -46.94 73.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.117 . . . . 0.0 109.347 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . 0.454 ' ND1' ' NH2' ' A' ' 84' ' ' ARG . 0.0 OUTLIER -60.75 -39.81 90.12 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.516 1.135 . . . . 0.0 109.537 -179.969 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' TRP . . . . . 0.869 ' CZ3' ' CZ ' ' A' ' 86' ' ' TYR . 19.4 t-105 -62.63 -34.4 76.96 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.31 -39.74 85.93 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.354 1.034 . . . . 0.0 109.389 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . 0.499 ' O ' ' HB2' ' A' ' 83' ' ' ASP . 0.2 OUTLIER -77.31 6.9 5.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.431 1.082 . . . . 0.0 109.993 179.943 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . 0.499 ' HB2' ' O ' ' A' ' 82' ' ' SER . 49.3 m-20 65.73 152.83 0.06 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.404 1.065 . . . . 0.0 109.233 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.517 ' HG3' ' CE2' ' A' ' 86' ' ' TYR . 0.5 OUTLIER -179.64 -172.25 0.21 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.524 1.14 . . . . 0.0 110.146 -179.947 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . 0.525 ' HB ' ' CB ' ' A' ' 47' ' ' ASP . 1.0 OUTLIER -136.06 113.64 10.92 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.437 1.086 . . . . 0.0 110.501 179.939 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . 0.869 ' CZ ' ' CZ3' ' A' ' 80' ' ' TRP . 0.0 OUTLIER -119.95 123.67 44.09 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.51 1.131 . . . . 0.0 111.052 179.986 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . 1.37 ' HA ' ' CB ' ' A' ' 100' ' ' SER . 1.4 m -142.4 136.83 29.95 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.513 1.133 . . . . 0.0 110.413 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' CYS . . . . . 1.067 ' HB3' ' CZ3' ' A' ' 44' ' ' TRP . 1.4 p -96.38 101.4 13.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 108.279 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . 0.452 ' N ' ' O ' ' A' ' 43' ' ' THR . 55.3 tt0 -93.68 106.38 18.35 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.437 1.085 . . . . 0.0 110.258 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 1.047 HG21 HG11 ' A' ' 32' ' ' VAL . 0.4 OUTLIER -98.25 121.73 49.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 O-C-N 124.438 1.086 . . . . 0.0 109.294 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . 1.038 ' O ' ' HB ' ' A' ' 40' ' ' ILE . 0.8 OUTLIER -98.24 166.29 11.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.587 1.18 . . . . 0.0 110.385 179.999 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . 1.177 ' CD2' HG21 ' A' ' 40' ' ' ILE . 3.8 m-85 -135.79 153.64 51.46 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.437 1.086 . . . . 0.0 111.078 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 3.3 pp0? -52.16 -20.46 2.58 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.478 1.111 . . . . 0.0 110.303 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -152.77 33.81 0.81 Allowed Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.469 1.106 . . . . 0.0 110.947 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' HIS . . . . . 0.53 ' CA ' ' HB2' ' A' ' 92' ' ' TYR . 6.4 t60 -166.97 175.13 7.84 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.457 0.739 . . . . 0.0 109.626 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 14.8 t -161.25 151.33 17.35 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.128 . . . . 0.0 110.443 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . 0.64 ' CD1' HG11 ' A' ' 9' ' ' VAL . 2.8 t80 -163.84 162.53 23.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.541 1.151 . . . . 0.0 110.986 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . 0.613 ' HG2' HG22 ' A' ' 87' ' ' THR . 32.3 tt0 -154.69 136.84 14.76 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.55 1.156 . . . . 0.0 110.356 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . 0.682 ' O ' ' SG ' ' A' ' 88' ' ' CYS . 22.8 m-20 -155.87 131.16 9.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.446 1.091 . . . . 0.0 109.27 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . 1.37 ' CB ' ' HA ' ' A' ' 87' ' ' THR . 0.6 OUTLIER -172.38 -150.02 0.05 Allowed 'General case' 0 C--N 1.327 -0.39 0 O-C-N 124.426 1.079 . . . . 0.0 109.982 -179.964 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . 0.665 HG23 ' CD1' ' A' ' 86' ' ' TYR . 5.2 t -133.69 172.99 12.0 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.117 . . . . 0.0 110.417 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.564 1.165 . . . . 0.0 109.229 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.615 ' O ' ' HA ' ' A' ' 32' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 110.351 -0.24 . . . . 0.0 110.351 . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.922 HG23 ' HB ' ' A' ' 32' ' ' VAL . 1.0 OUTLIER -131.07 146.5 33.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.565 1.165 . . . . 0.0 109.36 179.907 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.605 ' N ' ' O ' ' A' ' 31' ' ' LEU . 18.9 mmtt -134.41 154.13 51.54 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 109.27 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.458 HG13 ' NE2' ' A' ' 13' ' ' GLN . 5.3 tp -116.35 119.18 61.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.422 1.077 . . . . 0.0 109.35 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 1.04 HD12 HD13 ' A' ' 31' ' ' LEU . 36.4 mt -120.99 136.7 54.92 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.538 1.149 . . . . 0.0 109.278 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . 0.458 ' NE2' HG13 ' A' ' 11' ' ' ILE . 0.0 OUTLIER -108.72 143.2 38.16 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.462 1.101 . . . . 0.0 110.356 179.933 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.448 ' HB3' ' CB ' ' A' ' 27' ' ' GLN . 13.5 t -136.21 79.23 1.76 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.51 1.131 . . . . 0.0 109.911 -179.92 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 15.2 t . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.444 1.09 . . . . 0.0 110.055 179.877 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.48 ' OG1' ' N ' ' A' ' 26' ' ' ILE . 3.1 t . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 110.369 -0.234 . . . . 0.0 110.369 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.892 HD12 ' CE3' ' A' ' 80' ' ' TRP . 0.2 OUTLIER -140.5 137.29 36.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.523 1.139 . . . . 0.0 109.347 179.925 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.76 ' HA ' ' O ' ' A' ' 73' ' ' LEU . 4.0 mt-30 -124.27 99.95 6.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.415 1.072 . . . . 0.0 110.344 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 1.003 HD12 ' HG ' ' A' ' 73' ' ' LEU . 1.8 mt -97.75 96.69 8.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.584 1.178 . . . . 0.0 109.28 -179.92 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.545 ' HA ' ' HA ' ' A' ' 72' ' ' GLU . 9.9 mp -89.36 120.31 30.59 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.578 1.174 . . . . 0.0 109.272 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.487 ' HB2' ' CH2' ' A' ' 44' ' ' TRP . 0.5 OUTLIER -91.23 132.01 36.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.125 . . . . 0.0 108.356 179.964 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 1.04 HD13 HD12 ' A' ' 12' ' ' LEU . 2.5 mp -104.14 102.42 12.16 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.587 1.18 . . . . 0.0 109.278 -179.917 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 1.072 HG22 ' CE2' ' A' ' 35' ' ' TYR . 3.2 p -130.01 121.83 52.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.538 1.149 . . . . 0.0 109.301 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.915 ' CB ' ' HA ' ' A' ' 68' ' ' SER . 10.9 p -157.97 -176.82 6.14 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.493 1.121 . . . . 0.0 110.03 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.591 ' HA2' ' HB3' ' A' ' 66' ' ' LEU . . . 79.0 -44.5 2.61 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.41 1.069 . . . . 0.0 110.952 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 1.072 ' CE2' HG22 ' A' ' 32' ' ' VAL . 5.2 p90 -64.56 153.72 38.31 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.434 0.726 . . . . 0.0 110.874 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.898 ' O ' ' HB3' ' A' ' 67' ' ' ALA . 3.0 m 48.8 142.19 0.01 OUTLIER Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.466 1.104 . . . . 0.0 110.378 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.56 ' C ' ' HB2' ' A' ' 67' ' ' ALA . 18.4 Cg_endo -74.99 -11.02 21.47 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.444 1.76 . . . . 0.0 110.975 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.537 ' O ' ' CB ' ' A' ' 39' ' ' THR . . . -125.2 -54.12 0.17 Allowed Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.568 1.167 . . . . 0.0 110.967 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.717 ' O ' HG21 ' A' ' 36' ' ' THR . 0.9 OUTLIER 164.11 174.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 0.762 . . . . 0.0 110.468 -179.946 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.968 ' HB ' ' O ' ' A' ' 91' ' ' THR . 1.4 pt -120.35 -138.65 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.412 1.07 . . . . 0.0 109.272 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . 0.885 ' C ' HD13 ' A' ' 42' ' ' ILE . 11.5 t-20 -120.42 160.04 23.89 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.496 1.122 . . . . 0.0 109.295 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.885 HD13 ' C ' ' A' ' 41' ' ' ASN . 0.3 OUTLIER -117.62 129.67 73.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.622 1.202 . . . . 0.0 109.337 179.914 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.569 ' C ' ' CD1' ' A' ' 44' ' ' TRP . 1.9 m -155.16 154.26 32.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.553 1.158 . . . . 0.0 110.316 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 1.008 ' CZ3' ' HB3' ' A' ' 88' ' ' CYS . 12.7 m95 -144.27 129.69 18.92 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 107.948 -1.13 . . . . 0.0 107.948 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -97.34 113.11 24.7 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.563 1.165 . . . . 0.0 109.394 179.901 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.428 ' HG2' ' N ' ' A' ' 47' ' ' ASP . 23.1 tt0 -101.71 142.11 33.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 110.293 -179.917 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.553 ' CB ' ' HB ' ' A' ' 85' ' ' THR . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.557 1.161 . . . . 0.0 109.3 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.481 ' HB2' ' HB2' ' A' ' 75' ' ' LEU . 7.3 t70 . . . . . 0 N--CA 1.452 -0.343 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 1.121 HD22 ' N ' ' A' ' 56' ' ' SER . 0.0 OUTLIER -133.72 148.02 51.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 109.244 179.965 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 1.121 ' N ' HD22 ' A' ' 55' ' ' LEU . 31.2 t -131.11 150.86 51.96 Favored 'General case' 0 N--CA 1.451 -0.397 0 O-C-N 124.343 1.027 . . . . 0.0 110.027 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.436 ' O ' ' N ' ' A' ' 72' ' ' GLU . 0.1 OUTLIER -138.81 152.87 48.24 Favored 'General case' 0 C--N 1.327 -0.383 0 O-C-N 124.539 1.149 . . . . 0.0 110.332 179.971 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 1.011 ' HB2' ' CB ' ' A' ' 71' ' ' SER . . . -133.02 152.66 51.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.571 1.169 . . . . 0.0 109.258 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . 0.559 ' O ' ' HA ' ' A' ' 69' ' ' THR . 3.4 m -109.47 174.3 5.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.433 1.083 . . . . 0.0 109.956 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . 0.462 ' HB ' HG21 ' A' ' 39' ' ' THR . 1.9 t -105.55 146.95 28.93 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.554 1.159 . . . . 0.0 110.341 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . 0.483 ' OG1' ' C ' ' A' ' 68' ' ' SER . 0.8 OUTLIER -138.82 163.63 31.72 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.485 1.115 . . . . 0.0 110.336 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -108.98 126.32 52.98 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.555 1.16 . . . . 0.0 110.296 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -127.07 61.54 1.35 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.445 1.091 . . . . 0.0 110.308 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 70.74 -104.8 1.46 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.522 1.139 . . . . 0.0 111.02 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 34.3 tp10 -96.67 -1.65 46.23 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.467 0.746 . . . . 0.0 110.34 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.591 ' HB3' ' HA2' ' A' ' 34' ' ' GLY . 45.7 mt -112.45 -179.23 3.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.113 . . . . 0.0 109.325 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.898 ' HB3' ' O ' ' A' ' 36' ' ' THR . . . -135.4 122.08 20.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.573 1.171 . . . . 0.0 109.216 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . 0.915 ' HA ' ' CB ' ' A' ' 33' ' ' SER . 10.1 t -92.99 179.04 5.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.434 1.084 . . . . 0.0 110.064 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.749 HG22 HG12 ' A' ' 32' ' ' VAL . 1.0 OUTLIER -169.9 132.25 1.11 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.109 . . . . 0.0 110.357 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.809 ' O ' ' HA ' ' A' ' 58' ' ' ALA . 1.7 tp60 -112.63 121.31 44.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.579 1.174 . . . . 0.0 110.271 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 1.011 ' CB ' ' HB2' ' A' ' 58' ' ' ALA . 0.7 OUTLIER -110.69 146.13 36.78 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.505 1.128 . . . . 0.0 110.009 179.964 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.545 ' HA ' ' HA ' ' A' ' 29' ' ' LEU . 0.0 OUTLIER -135.93 133.35 37.53 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.608 1.193 . . . . 0.0 110.34 -179.966 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 1.111 HD13 ' N ' ' A' ' 74' ' ' THR . 0.7 OUTLIER -109.71 144.48 38.03 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.414 1.071 . . . . 0.0 109.304 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 1.111 ' N ' HD13 ' A' ' 73' ' ' LEU . 1.0 OUTLIER -143.66 123.82 13.71 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 110.407 179.959 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.742 ' HG ' HG22 ' A' ' 26' ' ' ILE . 0.2 OUTLIER -156.08 163.19 39.96 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.454 1.096 . . . . 0.0 109.387 179.956 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . 0.51 ' O ' HD12 ' A' ' 75' ' ' LEU . 1.1 t -77.41 134.35 38.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.112 . . . . 0.0 110.067 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 7.1 tp60 -61.83 -33.07 73.49 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.537 1.148 . . . . 0.0 110.323 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 18.9 tttt -53.14 -53.78 45.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.125 . . . . 0.0 109.349 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . 0.436 ' HB3' ' NE ' ' A' ' 84' ' ' ARG . 14.3 m-70 -53.35 -41.42 65.78 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.547 1.154 . . . . 0.0 109.633 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' TRP . . . . . 0.892 ' CE3' HD12 ' A' ' 26' ' ' ILE . 7.5 t-105 -59.38 -38.19 79.84 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.56 1.163 . . . . 0.0 107.974 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -57.35 -40.72 78.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.445 1.091 . . . . 0.0 109.3 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . 0.494 ' O ' ' HB3' ' A' ' 83' ' ' ASP . 0.7 OUTLIER -77.41 6.74 6.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.443 1.089 . . . . 0.0 110.029 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . 0.494 ' HB3' ' O ' ' A' ' 82' ' ' SER . 0.0 OUTLIER 68.42 148.67 0.06 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.46 1.1 . . . . 0.0 109.278 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.436 ' NE ' ' HB3' ' A' ' 79' ' ' HIS . 0.0 OUTLIER -168.63 -175.8 2.57 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.589 1.181 . . . . 0.0 110.28 179.881 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . 0.553 ' HB ' ' CB ' ' A' ' 47' ' ' ASP . 1.0 OUTLIER -131.65 99.65 4.86 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.512 1.132 . . . . 0.0 110.337 -179.899 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . 0.806 ' CZ ' ' CE3' ' A' ' 80' ' ' TRP . 0.0 OUTLIER -109.49 121.46 45.25 Favored 'General case' 0 C--N 1.327 -0.402 0 O-C-N 124.504 1.128 . . . . 0.0 110.985 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . 1.405 ' HA ' ' CB ' ' A' ' 100' ' ' SER . 0.6 OUTLIER -139.42 132.29 29.25 Favored 'General case' 0 C--N 1.323 -0.567 0 O-C-N 124.502 1.127 . . . . 0.0 110.402 179.963 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' CYS . . . . . 1.008 ' HB3' ' CZ3' ' A' ' 44' ' ' TRP . 30.1 p -89.63 96.19 10.59 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.551 1.157 . . . . 0.0 108.31 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . 0.485 ' N ' ' O ' ' A' ' 43' ' ' THR . 2.1 tt0 -88.47 102.16 14.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.485 1.116 . . . . 0.0 110.363 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.854 HG12 ' CE1' ' A' ' 92' ' ' TYR . 31.2 t -93.86 132.35 38.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.418 1.074 . . . . 0.0 109.302 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . 0.968 ' O ' ' HB ' ' A' ' 40' ' ' ILE . 0.3 OUTLIER -101.53 163.55 12.21 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.487 1.117 . . . . 0.0 110.331 -179.935 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . 0.854 ' CE1' HG12 ' A' ' 90' ' ' VAL . 3.6 m-85 -144.7 146.83 32.41 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.608 1.193 . . . . 0.0 110.932 -179.916 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -64.68 -6.36 7.68 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.506 1.129 . . . . 0.0 110.325 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -114.56 -20.9 5.65 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.415 1.072 . . . . 0.0 111.075 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' HIS . . . . . 0.451 ' O ' ' HB2' ' A' ' 92' ' ' TYR . 5.8 t60 -175.15 -158.1 0.07 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.424 0.72 . . . . 0.0 109.553 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 13.4 t -150.14 164.77 34.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 110.369 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . 0.616 ' CD1' HG11 ' A' ' 9' ' ' VAL . 46.5 t80 -168.14 164.99 13.44 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.498 1.124 . . . . 0.0 110.964 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . 0.682 ' HG2' HG22 ' A' ' 87' ' ' THR . 28.2 tt0 -156.35 146.47 21.31 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.553 1.158 . . . . 0.0 110.371 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . 0.561 ' O ' ' SG ' ' A' ' 88' ' ' CYS . 5.8 m-20 -160.01 129.93 5.37 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.618 1.199 . . . . 0.0 109.296 -179.904 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . 1.405 ' CB ' ' HA ' ' A' ' 87' ' ' THR . 2.4 t -170.65 -149.21 0.06 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.477 1.111 . . . . 0.0 110.021 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . 0.661 HG23 ' CD1' ' A' ' 86' ' ' TYR . 5.0 t -133.25 -177.87 4.72 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.531 1.145 . . . . 0.0 110.385 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . 0.456 ' HA ' ' HA ' ' A' ' 85' ' ' THR . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.566 1.167 . . . . 0.0 109.269 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.525 ' O ' ' HA ' ' A' ' 32' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 110.405 -0.22 . . . . 0.0 110.405 . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.9 HG11 ' CD2' ' A' ' 97' ' ' PHE . 2.4 p -132.35 140.6 47.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.537 1.148 . . . . 0.0 109.448 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.704 ' CB ' HD12 ' A' ' 31' ' ' LEU . 5.1 mmtt -138.45 156.68 47.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.294 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.54 ' CD1' ' SG ' ' A' ' 30' ' ' CYS . 0.4 OUTLIER -129.19 111.43 22.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.632 1.207 . . . . 0.0 109.275 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.937 HD12 HD21 ' A' ' 31' ' ' LEU . 83.1 mt -112.35 132.2 55.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.447 1.092 . . . . 0.0 109.261 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . 0.622 ' HB3' HD23 ' A' ' 28' ' ' LEU . 0.0 OUTLIER -105.31 142.36 35.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.568 1.168 . . . . 0.0 110.301 179.964 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.496 ' HB3' ' CB ' ' A' ' 27' ' ' GLN . 0.3 OUTLIER -132.03 71.36 1.47 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.114 . . . . 0.0 110.014 -179.964 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 3.2 t . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.448 1.092 . . . . 0.0 109.912 -179.89 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.936 HG22 ' HA ' ' A' ' 76' ' ' SER . 2.2 p . . . . . 0 N--CA 1.452 -0.335 0 CA-C-O 120.527 0.203 . . . . 0.0 110.473 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.979 HG21 HD23 ' A' ' 75' ' ' LEU . 1.2 tt -134.25 137.75 51.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.445 1.091 . . . . 0.0 109.304 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.514 ' HA ' ' O ' ' A' ' 73' ' ' LEU . 9.0 mt-30 -120.73 86.8 2.64 Favored 'General case' 0 C--N 1.323 -0.578 0 O-C-N 124.554 1.159 . . . . 0.0 110.332 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 1.0 HD12 HD22 ' A' ' 73' ' ' LEU . 0.3 OUTLIER -101.86 108.68 20.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.101 . . . . 0.0 109.325 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.715 ' HA ' ' HA ' ' A' ' 72' ' ' GLU . 0.5 OUTLIER -114.13 126.75 55.43 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 0.0 109.363 179.97 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.6 ' SG ' ' CH2' ' A' ' 44' ' ' TRP . 13.2 m -92.55 152.16 19.77 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.534 1.146 . . . . 0.0 108.419 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.937 HD21 HD12 ' A' ' 12' ' ' LEU . 0.0 OUTLIER -116.08 102.35 9.55 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.445 1.091 . . . . 0.0 109.325 -179.97 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 1.105 HG22 ' CE2' ' A' ' 35' ' ' TYR . 2.0 p -129.49 116.62 39.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 109.273 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.876 ' CB ' ' HA ' ' A' ' 68' ' ' SER . 6.8 p -155.79 -179.45 8.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.553 1.158 . . . . 0.0 109.921 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.642 ' CA ' HD23 ' A' ' 66' ' ' LEU . . . 80.91 -45.51 3.18 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.536 1.147 . . . . 0.0 110.928 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 1.105 ' CE2' HG22 ' A' ' 32' ' ' VAL . 2.6 p90 -61.85 152.13 32.52 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 0.779 . . . . 0.0 111.008 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.906 ' O ' ' HB3' ' A' ' 67' ' ' ALA . 1.9 m 48.98 140.39 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.585 1.178 . . . . 0.0 110.3 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.495 ' HD2' HG22 ' A' ' 36' ' ' THR . 18.3 Cg_endo -75.01 -14.07 21.22 Favored 'Trans proline' 0 C--N 1.362 1.24 0 O-C-N 124.396 1.735 . . . . 0.0 110.977 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.662 ' O ' HG22 ' A' ' 39' ' ' THR . . . -127.16 6.88 7.21 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.503 1.127 . . . . 0.0 111.053 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.714 ' O ' HG21 ' A' ' 36' ' ' THR . 0.7 OUTLIER 94.32 -169.95 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.499 0.764 . . . . 0.0 110.39 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.929 ' HB ' ' O ' ' A' ' 91' ' ' THR . 0.8 OUTLIER -131.51 -139.88 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 O-C-N 124.548 1.155 . . . . 0.0 109.311 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . 0.465 ' CB ' ' HB ' ' A' ' 91' ' ' THR . 0.3 OUTLIER -116.81 156.67 26.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.55 1.156 . . . . 0.0 109.216 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.976 HG21 ' HB3' ' A' ' 58' ' ' ALA . 4.2 mt -119.41 125.9 74.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.463 1.102 . . . . 0.0 109.354 179.854 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.567 ' C ' ' CD1' ' A' ' 44' ' ' TRP . 4.3 m -149.13 162.51 39.82 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.552 1.157 . . . . 0.0 110.426 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 1.013 ' CZ3' ' HB3' ' A' ' 88' ' ' CYS . 20.3 m95 -147.81 131.25 16.67 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.548 1.155 . . . . 0.0 107.983 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.413 ' N ' ' O ' ' A' ' 87' ' ' THR . 13.4 tp -99.5 107.93 20.24 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.526 1.141 . . . . 0.0 109.379 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.514 ' CD ' ' CZ ' ' A' ' 84' ' ' ARG . 0.1 OUTLIER -98.99 151.87 20.44 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 110.306 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.513 ' HB2' ' CG2' ' A' ' 85' ' ' THR . 0.4 OUTLIER . . . . . 0 C--N 1.327 -0.408 0 O-C-N 124.535 1.147 . . . . 0.0 109.283 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.471 ' CB ' ' HB2' ' A' ' 75' ' ' LEU . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.292 -0.632 . . . . 0.0 109.292 . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 1.088 HD22 ' N ' ' A' ' 56' ' ' SER . 0.0 OUTLIER -138.64 161.07 38.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.217 -179.958 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 1.088 ' N ' HD22 ' A' ' 55' ' ' LEU . 0.7 OUTLIER -127.29 131.86 50.41 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.413 1.071 . . . . 0.0 109.97 -179.979 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -131.41 159.9 36.66 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.496 1.123 . . . . 0.0 110.404 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.976 ' HB3' HG21 ' A' ' 42' ' ' ILE . . . -132.51 154.77 49.61 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.392 1.057 . . . . 0.0 109.295 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . 0.546 ' O ' ' HA ' ' A' ' 69' ' ' THR . 2.2 t -107.14 169.55 8.49 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.471 1.107 . . . . 0.0 109.975 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . 0.631 ' CG2' HG21 ' A' ' 39' ' ' THR . 2.8 m -107.76 146.48 32.11 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.515 1.134 . . . . 0.0 110.479 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . 0.535 ' OG1' ' CB ' ' A' ' 68' ' ' SER . 0.6 OUTLIER -137.32 157.75 45.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 110.399 -179.954 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 13.1 pt20 -118.17 134.27 55.16 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 110.288 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 -139.6 63.45 1.49 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.452 1.095 . . . . 0.0 110.202 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 71.79 -106.68 1.97 Allowed Glycine 0 CA--C 1.528 0.862 0 O-C-N 124.576 1.173 . . . . 0.0 111.094 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 9.7 tt0 -96.07 -1.86 47.87 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.416 0.715 . . . . 0.0 110.337 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.642 HD23 ' CA ' ' A' ' 34' ' ' GLY . 2.9 mp -105.18 166.34 10.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.105 . . . . 0.0 109.331 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.906 ' HB3' ' O ' ' A' ' 36' ' ' THR . . . -133.43 119.09 19.18 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.515 1.134 . . . . 0.0 109.243 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . 0.876 ' HA ' ' CB ' ' A' ' 33' ' ' SER . 10.3 t -96.37 175.11 6.55 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.418 1.074 . . . . 0.0 109.979 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.742 ' HB ' ' OH ' ' A' ' 35' ' ' TYR . 1.2 m -171.38 119.54 0.48 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.491 1.12 . . . . 0.0 110.361 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.662 ' O ' ' HA ' ' A' ' 58' ' ' ALA . 4.9 tt0 -96.73 120.44 37.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.434 1.084 . . . . 0.0 110.291 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.738 ' HA ' ' CB ' ' A' ' 58' ' ' ALA . 0.3 OUTLIER -104.72 140.0 38.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.605 1.191 . . . . 0.0 109.956 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.715 ' HA ' ' HA ' ' A' ' 29' ' ' LEU . 19.1 tt0 -134.38 160.66 37.28 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 110.325 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 1.0 HD22 HD12 ' A' ' 28' ' ' LEU . 10.5 tt -141.18 139.79 33.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.542 1.151 . . . . 0.0 109.342 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.461 ' O ' ' HA ' ' A' ' 54' ' ' ASP . 0.0 OUTLIER -139.37 114.52 9.61 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 110.34 -179.946 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.979 HD23 HG21 ' A' ' 26' ' ' ILE . 0.1 OUTLIER -141.83 159.17 42.78 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.405 1.066 . . . . 0.0 109.321 179.964 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . 0.936 ' HA ' HG22 ' A' ' 25' ' ' THR . 67.4 m -84.69 138.71 32.5 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.12 . . . . 0.0 110.03 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 13.9 tm0? -57.28 -28.21 62.81 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.461 1.101 . . . . 0.0 110.303 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 14.5 tptp -53.12 -58.68 6.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.639 1.212 . . . . 0.0 109.29 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 32.5 m80 -55.82 -41.18 73.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.39 1.056 . . . . 0.0 109.653 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' TRP . . . . . 0.919 ' CZ3' ' CZ ' ' A' ' 86' ' ' TYR . 18.0 t-105 -57.28 -40.6 78.09 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.459 ' C ' ' H ' ' A' ' 83' ' ' ASP . 0.3 OUTLIER -70.15 -40.3 74.83 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.61 1.194 . . . . 0.0 109.291 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -79.78 23.01 0.45 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.904 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . 0.459 ' H ' ' C ' ' A' ' 81' ' ' LEU . 0.0 OUTLIER 63.22 148.07 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.557 1.161 . . . . 0.0 109.255 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.514 ' CZ ' ' CD ' ' A' ' 46' ' ' GLU . 0.1 OUTLIER -177.33 174.9 1.54 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.457 1.098 . . . . 0.0 110.303 179.967 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . 0.513 ' CG2' ' HB2' ' A' ' 47' ' ' ASP . 0.9 OUTLIER -135.12 118.89 17.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 110.432 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . 0.919 ' CZ ' ' CZ3' ' A' ' 80' ' ' TRP . 0.0 OUTLIER -121.1 122.43 40.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.422 1.076 . . . . 0.0 110.912 -179.91 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . 1.41 ' HA ' ' CB ' ' A' ' 100' ' ' SER . 1.1 m -145.15 128.91 17.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.438 1.086 . . . . 0.0 110.384 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' CYS . . . . . 1.013 ' HB3' ' CZ3' ' A' ' 44' ' ' TRP . 13.7 p -94.86 101.4 13.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 108.277 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . 0.452 ' N ' ' O ' ' A' ' 43' ' ' THR . 49.5 tt0 -87.98 104.44 16.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 110.32 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 1.068 HG12 ' CE1' ' A' ' 92' ' ' TYR . 4.0 t -93.4 125.65 45.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.462 1.101 . . . . 0.0 109.293 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . 0.929 ' O ' ' HB ' ' A' ' 40' ' ' ILE . 1.0 OUTLIER -96.03 165.4 12.27 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.58 1.175 . . . . 0.0 110.366 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . 1.068 ' CE1' HG12 ' A' ' 90' ' ' VAL . 25.0 m-85 -145.8 140.65 27.26 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.482 1.114 . . . . 0.0 110.946 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . 0.654 ' HG2' HG23 ' A' ' 36' ' ' THR . 3.4 pt20 -56.42 -11.58 1.31 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.425 1.078 . . . . 0.0 110.261 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . 0.406 ' N ' ' C ' ' A' ' 92' ' ' TYR . . . -109.37 -28.37 4.37 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.502 1.126 . . . . 0.0 111.105 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' HIS . . . . . 0.504 ' O ' ' N ' ' A' ' 92' ' ' TYR . 1.1 t-160 -167.83 -151.5 0.11 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 0.766 . . . . 0.0 109.625 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 6.0 t -155.06 161.54 41.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.549 1.155 . . . . 0.0 110.38 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . 0.9 ' CD2' HG11 ' A' ' 9' ' ' VAL . 73.1 t80 -155.99 168.5 27.06 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.579 1.175 . . . . 0.0 110.925 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . 0.812 ' HG2' HG22 ' A' ' 87' ' ' THR . 25.2 tt0 -144.81 142.98 30.4 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.513 1.133 . . . . 0.0 110.346 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . 0.561 ' O ' ' SG ' ' A' ' 88' ' ' CYS . 0.1 OUTLIER -155.99 119.89 4.45 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.548 1.155 . . . . 0.0 109.334 179.882 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . 1.41 ' CB ' ' HA ' ' A' ' 87' ' ' THR . 0.8 OUTLIER -170.74 -151.36 0.08 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 0.0 110.011 -179.938 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . 0.741 HG23 ' CD1' ' A' ' 86' ' ' TYR . 4.4 t -142.64 -179.7 6.47 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.48 1.113 . . . . 0.0 110.42 -179.892 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . 0.432 ' N ' ' OG1' ' A' ' 101' ' ' THR . 5.0 pttp . . . . . 0 C--N 1.324 -0.515 0 O-C-N 124.527 1.142 . . . . 0.0 109.299 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 109.987 -0.375 . . . . 0.0 109.987 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 1.7 ptt180 -167.15 79.13 0.2 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.149 . . . . 0.0 110.253 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -80.02 168.67 18.88 Favored 'General case' 0 N--CA 1.451 -0.401 0 O-C-N 124.499 1.124 . . . . 0.0 109.36 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 58.36 -176.84 0.08 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.641 1.213 . . . . 0.0 111.096 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.57 HG21 ' O ' ' A' ' 34' ' ' GLY . 0.5 OUTLIER -142.77 168.42 13.32 Favored Pre-proline 0 C--N 1.323 -0.547 0 O-C-N 124.592 1.183 . . . . 0.0 110.32 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.521 ' HD2' HG23 ' A' ' 5' ' ' THR . 19.0 Cg_endo -74.82 118.27 5.23 Favored 'Trans proline' 0 C--N 1.359 1.093 0 O-C-N 124.538 1.809 . . . . 0.0 111.007 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.66 ' HA ' ' HB3' ' A' ' 35' ' ' TYR . 18.5 Cg_endo -75.04 151.91 39.9 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.424 1.75 . . . . 0.0 110.971 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.551 ' O ' ' HA ' ' A' ' 32' ' ' VAL . 0.0 OUTLIER -148.51 130.8 15.58 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.488 1.117 . . . . 0.0 110.343 -179.954 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.717 HG23 ' HB ' ' A' ' 32' ' ' VAL . 2.5 p -129.22 145.81 35.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.544 1.153 . . . . 0.0 109.341 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.55 ' HB2' ' CD1' ' A' ' 31' ' ' LEU . 0.0 OUTLIER -134.23 166.83 21.88 Favored 'General case' 0 C--N 1.323 -0.565 0 O-C-N 124.568 1.168 . . . . 0.0 109.323 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.582 HD12 ' OE1' ' A' ' 13' ' ' GLN . 0.0 OUTLIER -130.12 120.59 49.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 109.39 -179.928 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.693 ' HB2' HD12 ' A' ' 29' ' ' LEU . 22.3 mt -123.16 129.31 51.25 Favored 'General case' 0 C--N 1.323 -0.583 0 O-C-N 124.584 1.178 . . . . 0.0 109.3 -179.899 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.592 ' HB3' HD23 ' A' ' 28' ' ' LEU . 0.0 OUTLIER -106.94 140.52 39.62 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.554 1.159 . . . . 0.0 110.299 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.459 ' HB3' ' CB ' ' A' ' 27' ' ' GLN . 0.1 OUTLIER -134.23 75.43 1.59 Allowed 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.41 1.069 . . . . 0.0 110.073 179.919 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 23.5 p -112.01 -40.92 4.1 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.543 1.152 . . . . 0.0 109.935 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -86.22 50.74 2.04 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.496 1.123 . . . . 0.0 110.0 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -140.51 13.02 2.34 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.581 1.175 . . . . 0.0 109.21 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -80.98 -175.33 49.8 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.399 1.062 . . . . 0.0 111.071 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -157.7 170.0 34.62 Favored Glycine 0 CA--C 1.53 1.01 0 N-CA-C 111.032 -0.827 . . . . 0.0 111.032 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -44.35 155.56 0.28 Allowed Glycine 0 CA--C 1.528 0.905 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . 0.442 ' O ' ' O ' ' A' ' 22' ' ' PHE . 26.3 m170 64.53 178.99 0.18 Allowed 'General case' 0 C--N 1.327 -0.398 0 O-C-N 124.411 0.712 . . . . 0.0 109.607 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.442 ' O ' ' O ' ' A' ' 21' ' ' HIS . 5.3 m-85 57.68 148.58 0.06 OUTLIER Pre-proline 0 C--N 1.324 -0.526 0 O-C-N 124.51 1.131 . . . . 0.0 110.934 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.429 ' HA ' ' HD3' ' A' ' 24' ' ' PRO . 18.2 Cg_endo -75.07 145.54 31.31 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.595 1.84 . . . . 0.0 110.972 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.51 ' HB2' ' CB ' ' A' ' 77' ' ' GLN . 18.2 Cg_endo -75.05 141.8 26.92 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.553 1.817 . . . . 0.0 111.027 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.404 ' HA ' ' N ' ' A' ' 77' ' ' GLN . 53.0 p -145.04 -167.45 2.68 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.516 1.135 . . . . 0.0 110.431 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.905 HD12 ' CE3' ' A' ' 80' ' ' TRP . 0.1 OUTLIER -134.0 131.75 55.96 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 O-C-N 124.674 1.234 . . . . 0.0 109.357 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.595 ' HA ' ' O ' ' A' ' 73' ' ' LEU . 0.7 OUTLIER -117.86 81.58 1.69 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.621 1.2 . . . . 0.0 110.276 -179.931 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.903 HD11 HD13 ' A' ' 26' ' ' ILE . 1.6 mt -96.39 103.42 15.32 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.58 1.175 . . . . 0.0 109.272 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.713 ' HA ' ' HA ' ' A' ' 72' ' ' GLU . 2.0 pp -111.73 125.83 54.4 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.496 1.123 . . . . 0.0 109.323 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.501 ' HB2' ' HB2' ' A' ' 71' ' ' SER . 33.0 m -92.29 155.55 17.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.61 1.193 . . . . 0.0 108.192 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.829 ' C ' HD22 ' A' ' 31' ' ' LEU . 0.0 OUTLIER -115.98 103.87 11.02 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.567 1.167 . . . . 0.0 109.375 179.954 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 1.116 HG22 ' CE2' ' A' ' 35' ' ' TYR . 1.6 p -127.55 116.87 45.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.599 1.187 . . . . 0.0 109.347 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.853 ' CB ' ' HA ' ' A' ' 68' ' ' SER . 56.4 p -151.86 -179.05 7.12 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.442 1.089 . . . . 0.0 110.112 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.57 ' O ' HG21 ' A' ' 5' ' ' THR . . . 83.3 -49.88 4.31 Favored Glycine 0 CA--C 1.532 1.125 0 O-C-N 124.505 1.128 . . . . 0.0 110.951 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 1.116 ' CE2' HG22 ' A' ' 32' ' ' VAL . 4.7 p90 -62.24 153.05 31.71 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.563 0.802 . . . . 0.0 110.998 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.673 HG21 ' O ' ' A' ' 39' ' ' THR . 2.9 m 50.18 144.93 0.02 OUTLIER Pre-proline 0 C--N 1.324 -0.531 0 O-C-N 124.667 1.229 . . . . 0.0 110.446 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.658 ' HD2' HG22 ' A' ' 36' ' ' THR . 18.1 Cg_endo -75.02 -16.89 19.91 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.64 1.863 . . . . 0.0 111.004 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.604 ' O ' ' CB ' ' A' ' 39' ' ' THR . . . -121.22 -49.53 0.27 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.503 1.127 . . . . 0.0 110.994 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.697 ' OG1' HG23 ' A' ' 60' ' ' THR . 1.0 OUTLIER 159.2 171.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.456 0.739 . . . . 0.0 110.334 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.91 ' HB ' ' O ' ' A' ' 91' ' ' THR . 1.0 OUTLIER -111.75 -139.38 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.589 1.181 . . . . 0.0 109.272 -179.902 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . 0.572 ' O ' HD13 ' A' ' 42' ' ' ILE . 0.2 OUTLIER -111.15 155.22 23.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.623 1.202 . . . . 0.0 109.356 179.895 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.827 HG21 ' CB ' ' A' ' 58' ' ' ALA . 3.6 mm -122.17 121.57 64.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 109.306 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.481 ' C ' ' CD1' ' A' ' 44' ' ' TRP . 2.4 m -155.56 157.53 36.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.44 1.087 . . . . 0.0 110.509 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 1.039 ' CZ3' ' HB3' ' A' ' 88' ' ' CYS . 13.8 m95 -140.13 128.08 22.1 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 108.056 -1.091 . . . . 0.0 108.056 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -86.5 110.27 19.65 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.502 1.126 . . . . 0.0 109.277 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -99.38 140.32 33.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.441 1.088 . . . . 0.0 110.362 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.507 ' CB ' ' HB ' ' A' ' 85' ' ' THR . 0.3 OUTLIER -139.71 96.0 3.0 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.533 1.146 . . . . 0.0 109.318 179.972 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.456 ' O ' ' HB2' ' A' ' 49' ' ' GLN . . . 167.57 -56.15 0.23 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.6 1.188 . . . . 0.0 110.925 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.498 ' CB ' ' NH2' ' A' ' 84' ' ' ARG . 0.0 OUTLIER 167.61 86.52 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 0.758 . . . . 0.0 110.348 -179.878 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.622 ' O ' HG13 ' A' ' 50' ' ' VAL . 4.3 p -85.23 43.68 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.438 1.086 . . . . 0.0 109.359 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . 0.456 ' CG ' ' N ' ' A' ' 52' ' ' ASP . 4.6 ptt? -86.24 -38.38 17.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 110.924 -179.874 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.456 ' N ' ' CG ' ' A' ' 51' ' ' MET . 0.8 OUTLIER -64.11 -151.13 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.107 . . . . 0.0 109.431 179.944 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.841 HG12 ' O ' ' A' ' 53' ' ' VAL . 20.3 t -111.17 32.75 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.434 1.084 . . . . 0.0 109.346 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.465 ' CB ' ' HB2' ' A' ' 75' ' ' LEU . 1.2 p-10 -91.42 99.79 12.68 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.583 1.177 . . . . 0.0 109.23 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 1.126 HD22 ' N ' ' A' ' 56' ' ' SER . 0.0 OUTLIER -137.48 159.36 42.16 Favored 'General case' 0 C--N 1.327 -0.397 0 O-C-N 124.429 1.081 . . . . 0.0 109.258 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 1.126 ' N ' HD22 ' A' ' 55' ' ' LEU . 0.0 OUTLIER -123.32 130.63 52.99 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.446 1.091 . . . . 0.0 110.056 -179.963 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.464 ' O ' ' N ' ' A' ' 72' ' ' GLU . 0.2 OUTLIER -130.64 157.69 42.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.115 . . . . 0.0 110.371 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.827 ' CB ' HG21 ' A' ' 42' ' ' ILE . . . -128.9 153.15 47.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.396 1.06 . . . . 0.0 109.369 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.573 ' N ' ' O ' ' A' ' 70' ' ' GLN . 0.0 OUTLIER -105.11 164.62 11.68 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 0.0 109.923 -179.943 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.697 HG23 ' OG1' ' A' ' 39' ' ' THR . 2.4 m -107.63 141.48 39.05 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 110.382 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.824 ' OG1' ' O ' ' A' ' 68' ' ' SER . 0.0 OUTLIER -144.1 160.36 41.05 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.556 1.16 . . . . 0.0 110.465 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 15.0 pt20 -104.98 130.32 53.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.399 1.062 . . . . 0.0 110.148 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -126.91 60.59 1.36 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.567 1.167 . . . . 0.0 110.322 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 72.09 -105.77 1.77 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.379 1.05 . . . . 0.0 110.864 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -98.8 -1.1 41.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.439 0.729 . . . . 0.0 110.311 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.511 ' CB ' ' HA2' ' A' ' 34' ' ' GLY . 0.1 OUTLIER -111.86 179.41 4.02 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.579 1.175 . . . . 0.0 109.274 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.641 ' HB3' ' O ' ' A' ' 36' ' ' THR . . . -128.42 120.09 26.24 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.444 1.09 . . . . 0.0 109.412 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.853 ' HA ' ' CB ' ' A' ' 33' ' ' SER . 23.1 t -104.13 120.34 40.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.639 1.212 . . . . 0.0 109.905 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.812 ' HB ' ' OH ' ' A' ' 35' ' ' TYR . 0.8 OUTLIER -123.01 118.51 27.94 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.399 1.062 . . . . 0.0 110.412 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.601 ' O ' ' HA ' ' A' ' 58' ' ' ALA . 7.8 pt20 -91.71 126.22 36.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.377 1.048 . . . . 0.0 110.256 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.737 ' HA ' ' CB ' ' A' ' 58' ' ' ALA . 0.8 OUTLIER -106.86 140.91 38.94 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.437 1.086 . . . . 0.0 110.14 179.955 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.713 ' HA ' ' HA ' ' A' ' 29' ' ' LEU . 0.5 OUTLIER -134.02 155.24 50.34 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.1 . . . . 0.0 110.286 -179.963 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 1.036 HD12 ' CE3' ' A' ' 44' ' ' TRP . 9.1 tt -134.26 138.13 44.82 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.542 1.151 . . . . 0.0 109.377 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.432 ' O ' ' HA ' ' A' ' 54' ' ' ASP . 0.0 OUTLIER -137.05 116.13 12.45 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.381 1.051 . . . . 0.0 110.467 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.816 HD12 ' O ' ' A' ' 76' ' ' SER . 0.4 OUTLIER -142.84 145.29 33.03 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.559 1.162 . . . . 0.0 109.36 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.816 ' O ' HD12 ' A' ' 75' ' ' LEU . 5.1 t -66.53 136.47 55.7 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.448 1.092 . . . . 0.0 109.965 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . 0.51 ' CB ' ' HB2' ' A' ' 24' ' ' PRO . 8.6 tp60 -57.71 -32.5 67.44 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 110.37 179.882 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 9.5 tttp -52.86 -51.3 61.55 Favored 'General case' 0 C--N 1.323 -0.563 0 O-C-N 124.6 1.187 . . . . 0.0 109.274 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . 0.78 ' CD2' HH21 ' A' ' 84' ' ' ARG . 0.3 OUTLIER -58.69 -39.72 81.53 Favored 'General case' 0 N--CA 1.45 -0.435 0 O-C-N 124.577 1.173 . . . . 0.0 109.753 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' TRP . . . . . 0.905 ' CE3' HD12 ' A' ' 26' ' ' ILE . 28.2 t-105 -60.86 -33.77 73.59 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 107.994 -1.113 . . . . 0.0 107.994 179.902 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 4.4 tt -65.6 -38.61 89.97 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.452 1.095 . . . . 0.0 109.295 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 3.2 m -78.09 6.11 8.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.654 1.221 . . . . 0.0 109.918 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . 0.552 ' HB2' ' HA ' ' A' ' 104' ' ' SER . 0.0 OUTLIER 66.88 151.46 0.07 Allowed 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.463 1.102 . . . . 0.0 109.438 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.78 HH21 ' CD2' ' A' ' 79' ' ' HIS . 0.6 OUTLIER -173.11 -173.87 0.99 Allowed 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.613 1.196 . . . . 0.0 110.351 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.507 ' HB ' ' CB ' ' A' ' 47' ' ' ASP . 0.9 OUTLIER -138.65 103.46 4.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.39 1.056 . . . . 0.0 110.451 179.972 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.857 ' CE1' ' CZ3' ' A' ' 80' ' ' TRP . 0.0 OUTLIER -107.97 135.49 49.26 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.508 1.13 . . . . 0.0 110.942 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . 1.167 ' HA ' ' CB ' ' A' ' 100' ' ' SER . 0.2 OUTLIER -149.29 124.79 10.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.353 1.033 . . . . 0.0 110.417 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' CYS . . . . . 1.039 ' HB3' ' CZ3' ' A' ' 44' ' ' TRP . 9.9 p -83.51 97.56 9.08 Favored 'General case' 0 C--N 1.323 -0.583 0 O-C-N 124.475 1.109 . . . . 0.0 108.259 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . 0.543 ' HA ' ' O ' ' A' ' 97' ' ' PHE . 19.6 tt0 -89.48 103.24 15.9 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.568 1.168 . . . . 0.0 110.305 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 1.026 HG11 HG21 ' A' ' 32' ' ' VAL . 4.1 t -94.76 125.7 47.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.614 1.196 . . . . 0.0 109.283 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.91 ' O ' ' HB ' ' A' ' 40' ' ' ILE . 0.9 OUTLIER -97.84 169.09 9.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.386 1.054 . . . . 0.0 110.421 179.954 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . 0.902 ' CE1' HG12 ' A' ' 90' ' ' VAL . 18.3 m-85 -145.9 159.16 43.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 0.0 111.088 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . 0.479 ' CD ' HG23 ' A' ' 36' ' ' THR . 2.6 mt-30 -45.8 -27.57 0.87 Allowed 'General case' 0 C--N 1.322 -0.613 0 O-C-N 124.511 1.132 . . . . 0.0 110.248 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -157.7 35.76 0.54 Allowed Glycine 0 CA--C 1.529 0.913 0 O-C-N 124.502 1.126 . . . . 0.0 110.975 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . 0.479 ' CA ' ' HB2' ' A' ' 92' ' ' TYR . 2.0 t-80 -159.55 173.46 16.12 Favored 'General case' 0 N--CA 1.45 -0.441 0 O-C-N 124.374 0.691 . . . . 0.0 109.605 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 6.1 t -160.58 166.12 29.56 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.64 1.212 . . . . 0.0 110.445 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . 0.652 ' CD1' HG11 ' A' ' 9' ' ' VAL . 2.3 t80 -169.1 167.94 10.26 Favored 'General case' 0 C--N 1.323 -0.564 0 O-C-N 124.471 1.107 . . . . 0.0 111.001 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.52 ' HG2' ' CG2' ' A' ' 87' ' ' THR . 8.6 tt0 -156.59 129.07 7.59 Favored 'General case' 0 C--N 1.323 -0.558 0 O-C-N 124.463 1.102 . . . . 0.0 110.324 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . 0.624 ' O ' ' SG ' ' A' ' 88' ' ' CYS . 66.7 m-20 -154.51 126.74 7.83 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.15 . . . . 0.0 109.276 179.873 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . 1.167 ' CB ' ' HA ' ' A' ' 87' ' ' THR . 46.6 t -166.52 -142.01 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.335 1.022 . . . . 0.0 110.043 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . 0.77 HG23 ' CD1' ' A' ' 86' ' ' TYR . 9.2 t -133.41 176.61 8.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.457 1.098 . . . . 0.0 110.411 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -168.76 145.12 3.61 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.576 1.172 . . . . 0.0 109.358 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . 0.443 ' HG3' ' N ' ' A' ' 104' ' ' SER . 0.4 OUTLIER -150.45 161.88 41.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 109.363 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . 0.552 ' HA ' ' HB2' ' A' ' 83' ' ' ASP . 4.1 t -127.69 44.28 2.96 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 0.0 110.046 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . 0.522 ' HB2' ' HB3' ' A' ' 83' ' ' ASP . . . . . . . . 0 N--CA 1.451 -0.392 0 O-C-N 124.507 1.129 . . . . 0.0 109.198 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.452 -0.36 0 N-CA-C 109.999 -0.371 . . . . 0.0 109.999 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 1.4 ttt85 -164.87 176.58 8.58 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.547 1.155 . . . . 0.0 110.231 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.528 ' O ' ' CB ' ' A' ' 4' ' ' PHE . 23.7 t70 -161.75 165.75 27.56 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.392 1.058 . . . . 0.0 109.294 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.528 ' CB ' ' O ' ' A' ' 3' ' ' ASP . 0.6 OUTLIER 76.94 173.54 0.21 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 111.083 -179.965 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.813 HG22 ' HD2' ' A' ' 6' ' ' PRO . 0.2 OUTLIER -143.04 173.3 4.67 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.439 1.087 . . . . 0.0 110.329 -179.92 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.813 ' HD2' HG22 ' A' ' 5' ' ' THR . 18.4 Cg_endo -75.02 113.61 3.83 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.379 1.726 . . . . 0.0 111.031 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.653 ' HA ' ' HB3' ' A' ' 35' ' ' TYR . 18.2 Cg_endo -74.99 158.35 42.31 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.476 1.777 . . . . 0.0 110.965 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.571 ' O ' ' HA ' ' A' ' 32' ' ' VAL . 0.0 OUTLIER -158.26 127.49 5.71 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.57 1.169 . . . . 0.0 110.528 179.954 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.718 HG11 ' CG ' ' A' ' 97' ' ' PHE . 5.0 p -135.39 135.31 51.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 O-C-N 124.472 1.107 . . . . 0.0 109.265 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.788 ' CG ' HD12 ' A' ' 31' ' ' LEU . 11.1 mmmt -141.16 174.42 10.54 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.565 1.166 . . . . 0.0 109.384 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.552 ' CG1' ' O ' ' A' ' 99' ' ' ASP . 0.2 OUTLIER -128.47 126.89 66.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 O-C-N 124.404 1.065 . . . . 0.0 109.354 179.906 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.628 ' HB2' HD12 ' A' ' 29' ' ' LEU . 46.8 mt -120.87 127.4 51.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.454 1.096 . . . . 0.0 109.279 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -107.29 140.07 40.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.442 1.088 . . . . 0.0 110.386 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.491 ' HB3' ' CB ' ' A' ' 27' ' ' GLN . 0.2 OUTLIER -132.04 69.8 1.47 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.417 1.073 . . . . 0.0 109.961 -179.884 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 44.0 p -127.57 149.33 50.2 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.433 1.083 . . . . 0.0 110.005 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.424 ' O ' ' C ' ' A' ' 17' ' ' ASP . 8.6 t -155.88 77.9 0.97 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.371 1.044 . . . . 0.0 110.084 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.424 ' C ' ' O ' ' A' ' 16' ' ' SER . 0.0 OUTLIER -38.38 155.56 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.476 1.11 . . . . 0.0 109.303 -179.94 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 147.54 152.27 5.63 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.512 1.133 . . . . 0.0 111.064 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -103.98 129.2 9.77 Favored Glycine 0 CA--C 1.528 0.879 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 97.55 149.96 25.92 Favored Glycine 0 CA--C 1.532 1.109 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . 0.421 ' O ' ' O ' ' A' ' 22' ' ' PHE . 0.1 OUTLIER 71.09 112.58 0.06 Allowed 'General case' 0 C--N 1.323 -0.555 0 O-C-N 124.616 0.833 . . . . 0.0 109.603 -179.919 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.421 ' O ' ' O ' ' A' ' 21' ' ' HIS . 96.4 m-85 56.15 158.82 0.07 OUTLIER Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.622 1.201 . . . . 0.0 110.985 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.46 ' HA ' ' HD3' ' A' ' 24' ' ' PRO . 18.3 Cg_endo -75.2 144.22 29.37 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.43 1.753 . . . . 0.0 110.914 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.46 ' HD3' ' HA ' ' A' ' 23' ' ' PRO . 18.0 Cg_endo -75.0 106.43 2.27 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.629 1.857 . . . . 0.0 110.969 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 29.7 p -143.31 -166.83 2.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.448 1.093 . . . . 0.0 110.381 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.936 HD12 ' CE3' ' A' ' 80' ' ' TRP . 0.4 OUTLIER -137.68 130.89 42.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 O-C-N 124.442 1.089 . . . . 0.0 109.293 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.526 ' HA ' ' O ' ' A' ' 73' ' ' LEU . 0.3 OUTLIER -117.59 86.07 2.45 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.57 1.169 . . . . 0.0 110.362 179.948 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.913 HD11 HD13 ' A' ' 26' ' ' ILE . 2.9 mt -101.11 105.76 16.95 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.558 1.161 . . . . 0.0 109.282 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.81 ' HA ' ' HA ' ' A' ' 72' ' ' GLU . 0.3 OUTLIER -110.36 134.76 51.98 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.528 1.142 . . . . 0.0 109.339 179.918 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.496 ' SG ' ' O ' ' A' ' 10' ' ' LYS . 0.1 OUTLIER -90.74 162.52 14.85 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.474 1.109 . . . . 0.0 108.387 179.927 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 1.01 HD13 ' O ' ' A' ' 31' ' ' LEU . 0.2 OUTLIER -127.65 102.65 6.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.605 1.191 . . . . 0.0 109.246 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 1.185 HG22 ' CE2' ' A' ' 35' ' ' TYR . 1.5 p -136.58 110.78 9.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 O-C-N 124.53 1.143 . . . . 0.0 109.227 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.863 ' CB ' ' HA ' ' A' ' 68' ' ' SER . 17.8 p -150.35 -179.03 6.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.581 1.176 . . . . 0.0 109.955 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.701 ' HA2' ' HB2' ' A' ' 66' ' ' LEU . . . 80.48 -46.66 3.3 Favored Glycine 0 CA--C 1.529 0.925 0 O-C-N 124.43 1.081 . . . . 0.0 111.009 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 1.185 ' CE2' HG22 ' A' ' 32' ' ' VAL . 14.7 p90 -65.67 152.43 44.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 0.752 . . . . 0.0 110.988 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.76 HG21 ' O ' ' A' ' 39' ' ' THR . 4.1 m 49.56 139.64 0.01 OUTLIER Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.59 1.181 . . . . 0.0 110.376 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.458 ' HD3' ' HA ' ' A' ' 36' ' ' THR . 17.9 Cg_endo -75.09 -14.44 20.95 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.498 1.788 . . . . 0.0 110.981 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.655 ' O ' ' CB ' ' A' ' 39' ' ' THR . . . -125.42 0.17 8.04 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.528 1.142 . . . . 0.0 110.984 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.76 ' O ' HG21 ' A' ' 36' ' ' THR . 0.7 OUTLIER 95.12 -168.24 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.451 0.736 . . . . 0.0 110.363 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.901 ' HB ' ' O ' ' A' ' 91' ' ' THR . 1.3 pt -128.47 -142.23 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.49 1.119 . . . . 0.0 109.394 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . 0.404 ' HB3' ' HB ' ' A' ' 91' ' ' THR . 58.8 t30 -108.58 153.6 23.15 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.31 1.006 . . . . 0.0 109.319 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.969 HG21 ' HB3' ' A' ' 58' ' ' ALA . 7.1 mt -117.33 128.02 74.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.552 1.157 . . . . 0.0 109.291 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.486 ' C ' ' CD1' ' A' ' 44' ' ' TRP . 7.6 m -157.65 163.65 38.01 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.112 . . . . 0.0 110.44 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 1.009 ' CZ3' ' HB3' ' A' ' 88' ' ' CYS . 19.2 m95 -143.0 130.65 21.34 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 124.516 1.135 . . . . 0.0 108.035 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.616 HD23 ' OE2' ' A' ' 98' ' ' GLU . 8.2 tp -84.32 104.79 14.64 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.617 1.198 . . . . 0.0 109.338 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.459 ' HG2' ' NH1' ' A' ' 84' ' ' ARG . 5.6 tm-20 -98.43 142.12 30.45 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.469 1.105 . . . . 0.0 110.339 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.53 ' CB ' ' HB ' ' A' ' 85' ' ' THR . 0.2 OUTLIER -154.63 104.56 2.55 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 109.425 179.947 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.427 ' HA3' ' HG3' ' A' ' 84' ' ' ARG . . . 160.81 -74.28 0.2 Allowed Glycine 0 CA--C 1.529 0.92 0 O-C-N 124.593 1.183 . . . . 0.0 111.011 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.425 ' O ' ' CE1' ' A' ' 79' ' ' HIS . 0.0 OUTLIER 172.14 101.49 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.46 0.741 . . . . 0.0 110.29 -179.954 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.511 ' O ' HG13 ' A' ' 50' ' ' VAL . 14.5 p -64.35 109.5 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.564 1.165 . . . . 0.0 109.264 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . 0.566 ' HB3' ' CE1' ' A' ' 79' ' ' HIS . 17.0 ptm -65.77 -155.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.443 1.089 . . . . 0.0 111.082 179.88 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.477 ' N ' ' HG3' ' A' ' 51' ' ' MET . 45.1 t0 -60.59 -58.11 9.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.578 1.174 . . . . 0.0 109.389 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -130.25 91.58 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.591 1.182 . . . . 0.0 109.257 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.528 ' HA ' ' O ' ' A' ' 74' ' ' THR . 1.1 t0 -144.91 80.25 1.62 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.448 1.092 . . . . 0.0 109.364 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 1.132 HD22 ' N ' ' A' ' 56' ' ' SER . 0.0 OUTLIER -140.0 163.35 32.92 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 109.397 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 1.132 ' N ' HD22 ' A' ' 55' ' ' LEU . 0.0 OUTLIER -127.92 133.81 49.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.564 1.165 . . . . 0.0 110.002 -179.939 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -133.34 156.71 47.13 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.523 1.139 . . . . 0.0 110.374 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.969 ' HB3' HG21 ' A' ' 42' ' ' ILE . . . -133.69 150.71 51.54 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.673 1.233 . . . . 0.0 109.352 179.843 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.635 ' O ' ' HA ' ' A' ' 69' ' ' THR . 0.4 OUTLIER -109.84 146.4 35.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 0.0 110.011 179.954 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.416 ' CB ' HG21 ' A' ' 39' ' ' THR . 2.0 t -104.63 144.29 31.91 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.396 1.06 . . . . 0.0 110.472 179.883 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.716 ' OG1' ' O ' ' A' ' 68' ' ' SER . 1.2 p -138.86 159.44 42.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 110.41 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 34.2 tt0 -100.73 121.71 42.13 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.367 1.042 . . . . 0.0 110.248 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.585 ' O ' ' HG ' ' A' ' 66' ' ' LEU . 1.0 OUTLIER -120.33 60.82 0.87 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 0.0 110.247 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 75.66 -102.84 1.56 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.377 1.048 . . . . 0.0 110.981 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -101.87 -1.65 31.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 0.784 . . . . 0.0 110.277 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.701 ' HB2' ' HA2' ' A' ' 34' ' ' GLY . 0.3 OUTLIER -112.23 177.91 4.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 109.364 179.919 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.717 ' CB ' ' O ' ' A' ' 36' ' ' THR . . . -135.81 121.12 19.12 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.458 1.099 . . . . 0.0 109.203 -179.884 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.863 ' HA ' ' CB ' ' A' ' 33' ' ' SER . 19.1 t -101.98 118.77 37.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.954 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.635 ' HA ' ' O ' ' A' ' 59' ' ' SER . 0.9 OUTLIER -123.76 113.9 19.19 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.53 1.144 . . . . 0.0 110.424 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.564 ' O ' ' HA ' ' A' ' 58' ' ' ALA . 6.0 pt20 -97.78 125.81 42.8 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.625 1.203 . . . . 0.0 110.31 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.823 ' HA ' ' CB ' ' A' ' 58' ' ' ALA . 0.7 OUTLIER -104.97 151.6 23.71 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.506 1.128 . . . . 0.0 110.035 179.983 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.81 ' HA ' ' HA ' ' A' ' 29' ' ' LEU . 1.5 mt-10 -143.09 155.07 44.53 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.428 1.08 . . . . 0.0 110.316 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.934 HD13 ' OG ' ' A' ' 56' ' ' SER . 11.4 tp -134.43 143.47 47.58 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.474 1.109 . . . . 0.0 109.413 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.825 ' H ' HD12 ' A' ' 73' ' ' LEU . 0.1 OUTLIER -141.62 117.02 10.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.456 1.098 . . . . 0.0 110.345 -179.94 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.847 HD13 HH21 ' A' ' 84' ' ' ARG . 0.1 OUTLIER -145.28 158.81 43.74 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.462 1.101 . . . . 0.0 109.313 179.934 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.484 ' N ' HD12 ' A' ' 75' ' ' LEU . 38.7 t -77.56 136.26 38.27 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.473 1.108 . . . . 0.0 110.065 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . 0.411 ' O ' ' HB3' ' A' ' 80' ' ' TRP . 0.0 OUTLIER -59.14 -34.59 72.25 Favored 'General case' 0 C--N 1.327 -0.399 0 O-C-N 124.521 1.138 . . . . 0.0 110.38 179.968 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 19.1 tttm -53.36 -51.09 63.59 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.42 1.075 . . . . 0.0 109.316 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . 0.566 ' CE1' ' HB3' ' A' ' 51' ' ' MET . 1.0 OUTLIER -56.72 -38.28 72.13 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 124.608 1.193 . . . . 0.0 109.691 179.925 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' TRP . . . . . 0.936 ' CE3' HD12 ' A' ' 26' ' ' ILE . 13.1 t-105 -60.01 -33.86 72.56 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.547 1.154 . . . . 0.0 108.026 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 1.1 mt -65.36 -38.92 91.54 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.512 1.132 . . . . 0.0 109.325 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . 0.501 ' O ' ' HB3' ' A' ' 83' ' ' ASP . 0.2 OUTLIER -79.4 8.22 6.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.597 1.185 . . . . 0.0 109.987 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . 0.558 ' CA ' ' HB2' ' A' ' 104' ' ' SER . 0.0 OUTLIER 69.1 149.14 0.07 Allowed 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.561 1.163 . . . . 0.0 109.309 179.949 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.847 HH21 HD13 ' A' ' 75' ' ' LEU . 8.7 ttp85 -170.4 178.05 3.86 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.432 1.082 . . . . 0.0 110.318 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.53 ' HB ' ' CB ' ' A' ' 47' ' ' ASP . 1.2 m -132.09 97.83 4.26 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.116 . . . . 0.0 110.495 -179.911 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.869 ' CZ ' ' CE3' ' A' ' 80' ' ' TRP . 0.0 OUTLIER -114.12 119.54 37.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.573 1.171 . . . . 0.0 110.939 -179.886 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . 1.387 ' HA ' ' CB ' ' A' ' 100' ' ' SER . 0.9 OUTLIER -139.69 141.59 36.96 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 110.295 -179.951 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' CYS . . . . . 1.009 ' HB3' ' CZ3' ' A' ' 44' ' ' TRP . 29.6 p -94.36 100.25 12.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.596 1.185 . . . . 0.0 108.349 179.827 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . 0.481 ' H ' ' HA ' ' A' ' 44' ' ' TRP . 25.8 tt0 -94.62 104.82 16.76 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.676 1.235 . . . . 0.0 110.317 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 1.039 HG11 HG21 ' A' ' 32' ' ' VAL . 0.5 OUTLIER -100.18 122.04 51.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.521 1.138 . . . . 0.0 109.257 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.901 ' O ' ' HB ' ' A' ' 40' ' ' ILE . 0.6 OUTLIER -94.52 166.39 12.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.13 . . . . 0.0 110.295 -179.959 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . 0.882 ' CD1' HD12 ' A' ' 40' ' ' ILE . 31.6 m-85 -134.43 157.04 47.47 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 111.057 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -49.37 -21.82 0.97 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.535 1.147 . . . . 0.0 110.36 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -157.16 35.19 0.56 Allowed Glycine 0 CA--C 1.528 0.896 0 O-C-N 124.456 1.098 . . . . 0.0 111.054 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . 0.472 ' CA ' ' HB2' ' A' ' 92' ' ' TYR . 5.6 t60 -162.7 177.83 9.02 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.487 0.757 . . . . 0.0 109.566 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 13.3 t -160.94 152.98 19.95 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 110.392 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . 0.718 ' CG ' HG11 ' A' ' 9' ' ' VAL . 3.4 t80 -161.42 158.64 27.07 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.619 1.199 . . . . 0.0 110.998 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.616 ' OE2' HD23 ' A' ' 45' ' ' LEU . 3.5 tt0 -156.11 133.07 10.51 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.584 1.177 . . . . 0.0 110.355 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . 0.588 ' O ' ' SG ' ' A' ' 88' ' ' CYS . 0.7 OUTLIER -158.03 130.93 7.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.661 1.225 . . . . 0.0 109.387 -179.955 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . 1.387 ' CB ' ' HA ' ' A' ' 87' ' ' THR . 7.8 t -171.82 -143.27 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.549 1.155 . . . . 0.0 110.05 -179.846 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . 0.845 HG23 ' CD1' ' A' ' 86' ' ' TYR . 3.7 t -134.5 -176.15 4.12 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.292 0.995 . . . . 0.0 110.419 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.488 ' N ' ' OG1' ' A' ' 101' ' ' THR . 16.3 pttt -169.38 -157.02 0.16 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.586 1.179 . . . . 0.0 109.275 -179.888 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . 0.759 ' HG2' ' N ' ' A' ' 104' ' ' SER . 0.0 OUTLIER 59.1 -174.71 0.1 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.411 1.069 . . . . 0.0 109.3 -179.956 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . 0.759 ' N ' ' HG2' ' A' ' 103' ' ' LYS . 17.1 t -104.87 -124.36 0.22 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.613 1.196 . . . . 0.0 109.901 -179.887 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . 0.527 ' N ' ' OG ' ' A' ' 104' ' ' SER . . . . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 109.339 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 1.1 m . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 110.021 -0.363 . . . . 0.0 110.021 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 1.8 ttt180 174.11 173.52 0.18 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.142 . . . . 0.0 110.311 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.701 ' O ' ' CD1' ' A' ' 4' ' ' PHE . 0.0 OUTLIER 52.11 176.86 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.568 0 O-C-N 124.457 1.098 . . . . 0.0 109.266 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.701 ' CD1' ' O ' ' A' ' 3' ' ' ASP . 0.0 OUTLIER 85.74 158.57 0.09 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.579 1.174 . . . . 0.0 110.912 179.887 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.439 ' OG1' ' HD2' ' A' ' 6' ' ' PRO . 0.4 OUTLIER -91.19 161.98 33.57 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.452 1.095 . . . . 0.0 110.472 179.951 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.439 ' HD2' ' OG1' ' A' ' 5' ' ' THR . 18.1 Cg_endo -75.05 116.1 4.48 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.403 1.738 . . . . 0.0 111.023 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.749 ' HA ' ' HB3' ' A' ' 35' ' ' TYR . 18.5 Cg_endo -74.94 153.53 42.13 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.53 1.805 . . . . 0.0 110.976 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.661 ' O ' ' HA ' ' A' ' 32' ' ' VAL . 0.0 OUTLIER -152.78 124.29 7.73 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.577 1.173 . . . . 0.0 110.43 179.908 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.72 HG11 ' CD2' ' A' ' 97' ' ' PHE . 6.9 p -131.36 137.8 54.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.592 1.183 . . . . 0.0 109.394 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.555 ' HB2' ' CD1' ' A' ' 31' ' ' LEU . 24.8 mttt -142.96 165.71 26.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.613 1.196 . . . . 0.0 109.253 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.588 HD13 ' SG ' ' A' ' 30' ' ' CYS . 4.4 tp -126.57 117.21 47.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.384 1.053 . . . . 0.0 109.262 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.725 ' HB2' HD12 ' A' ' 29' ' ' LEU . 47.9 mt -113.13 129.52 56.48 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.505 1.128 . . . . 0.0 109.268 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.52 ' HB3' HD22 ' A' ' 28' ' ' LEU . 0.0 OUTLIER -106.31 138.95 41.57 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.422 1.076 . . . . 0.0 110.372 179.917 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.469 ' HB3' ' CB ' ' A' ' 27' ' ' GLN . 0.2 OUTLIER -132.61 71.59 1.47 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.496 1.122 . . . . 0.0 110.037 179.919 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 8.4 t -125.58 -39.54 2.15 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.414 1.071 . . . . 0.0 109.988 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.411 ' O ' ' HB2' ' A' ' 17' ' ' ASP . 0.4 OUTLIER -64.71 146.98 53.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 109.991 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.411 ' HB2' ' O ' ' A' ' 16' ' ' SER . 50.9 t0 176.78 171.61 0.47 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 109.256 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -41.94 110.99 0.26 Allowed Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.612 1.195 . . . . 0.0 111.051 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 74.83 -176.09 49.36 Favored Glycine 0 CA--C 1.531 1.049 0 N-CA-C 110.927 -0.869 . . . . 0.0 110.927 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -123.08 34.31 3.74 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.61 0.829 . . . . 0.0 111.039 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -142.33 3.3 1.52 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.529 0.782 . . . . 0.0 109.616 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.524 ' N ' ' CD ' ' A' ' 23' ' ' PRO . 0.2 OUTLIER -81.5 -49.66 0.96 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.701 1.251 . . . . 0.0 111.026 179.903 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.524 ' CD ' ' N ' ' A' ' 22' ' ' PHE . 18.1 Cg_endo -74.92 113.67 3.85 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.475 1.776 . . . . 0.0 111.075 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.03 -33.25 4.69 Favored 'Trans proline' 0 C--N 1.359 1.095 0 O-C-N 124.617 1.851 . . . . 0.0 111.014 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.825 HG22 ' HA ' ' A' ' 76' ' ' SER . 67.5 p -136.36 -172.0 3.03 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.571 1.169 . . . . 0.0 110.355 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.945 HD13 HD11 ' A' ' 28' ' ' LEU . 2.6 tt -109.85 133.81 53.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.417 1.073 . . . . 0.0 109.212 -179.845 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.469 ' CB ' ' HB3' ' A' ' 14' ' ' SER . 4.2 mt-30 -118.19 77.7 1.18 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.598 1.186 . . . . 0.0 110.34 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.945 HD11 HD13 ' A' ' 26' ' ' ILE . 3.5 mt -96.39 106.45 18.68 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.494 1.121 . . . . 0.0 109.414 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.725 HD12 ' HB2' ' A' ' 12' ' ' LEU . 0.5 OUTLIER -115.48 131.83 56.81 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 109.325 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.588 ' SG ' HD13 ' A' ' 11' ' ' ILE . 1.1 m -90.62 168.04 12.09 Favored 'General case' 0 C--N 1.327 -0.379 0 O-C-N 124.529 1.143 . . . . 0.0 108.229 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.877 ' C ' HD22 ' A' ' 31' ' ' LEU . 0.0 OUTLIER -128.42 97.91 4.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.464 1.102 . . . . 0.0 109.354 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 1.137 HG22 ' CE2' ' A' ' 35' ' ' TYR . 1.4 p -129.93 106.8 13.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 O-C-N 124.535 1.147 . . . . 0.0 109.319 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.923 ' CB ' ' HA ' ' A' ' 68' ' ' SER . 8.3 p -148.86 -178.04 6.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.387 1.055 . . . . 0.0 109.89 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.634 ' HA2' ' HB3' ' A' ' 66' ' ' LEU . . . 80.31 -46.73 3.28 Favored Glycine 0 CA--C 1.531 1.083 0 O-C-N 124.496 1.123 . . . . 0.0 110.965 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 1.137 ' CE2' HG22 ' A' ' 32' ' ' VAL . 15.3 p90 -65.23 148.94 50.79 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.582 0.813 . . . . 0.0 110.958 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.752 ' O ' ' HB3' ' A' ' 67' ' ' ALA . 4.1 m 51.48 139.56 0.01 OUTLIER Pre-proline 0 C--N 1.326 -0.42 0 O-C-N 124.448 1.092 . . . . 0.0 110.394 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.45 ' C ' ' HB2' ' A' ' 67' ' ' ALA . 18.3 Cg_endo -74.98 -14.19 21.25 Favored 'Trans proline' 0 C--N 1.361 1.211 0 O-C-N 124.614 1.849 . . . . 0.0 111.076 179.906 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.582 ' O ' ' CB ' ' A' ' 39' ' ' THR . . . -124.94 3.93 8.47 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.364 1.04 . . . . 0.0 110.931 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.801 HG23 ' N ' ' A' ' 40' ' ' ILE . 0.5 OUTLIER 88.58 -168.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.407 0.71 . . . . 0.0 110.417 -179.942 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.87 ' HB ' ' O ' ' A' ' 91' ' ' THR . 1.2 pt -125.94 -139.92 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 0.0 109.354 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . 0.529 ' C ' HD13 ' A' ' 42' ' ' ILE . 63.7 t30 -114.11 157.04 23.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.401 1.063 . . . . 0.0 109.342 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.844 HG21 ' HB3' ' A' ' 58' ' ' ALA . 3.5 mm -115.05 128.96 72.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.449 1.093 . . . . 0.0 109.264 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.527 ' C ' ' CD1' ' A' ' 44' ' ' TRP . 1.2 m -153.39 159.27 42.37 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.519 1.137 . . . . 0.0 110.424 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 1.065 ' CZ3' ' HB3' ' A' ' 88' ' ' CYS . 20.2 m95 -146.17 130.34 17.49 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.047 -1.094 . . . . 0.0 108.047 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.414 ' HB2' ' OE1' ' A' ' 98' ' ' GLU . 0.5 OUTLIER -96.81 111.83 23.84 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.478 1.111 . . . . 0.0 109.453 179.962 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.418 ' CD ' ' HB ' ' A' ' 50' ' ' VAL . 2.4 tm-20 -101.89 142.97 32.38 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.525 1.141 . . . . 0.0 110.36 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.513 ' CB ' ' HB ' ' A' ' 85' ' ' THR . 0.2 OUTLIER -137.11 92.45 2.72 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.57 1.169 . . . . 0.0 109.311 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 156.24 40.52 0.02 OUTLIER Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.479 1.112 . . . . 0.0 110.989 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 52.1 mm-40 64.33 96.74 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.481 0.754 . . . . 0.0 110.395 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.512 ' O ' HG13 ' A' ' 50' ' ' VAL . 8.9 p -86.06 43.55 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.447 1.092 . . . . 0.0 109.293 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -88.85 -12.81 40.83 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.438 1.086 . . . . 0.0 110.966 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.561 ' HB2' ' CE1' ' A' ' 79' ' ' HIS . 1.1 t70 -65.89 -154.73 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.453 1.096 . . . . 0.0 109.28 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.667 ' CG1' ' O ' ' A' ' 53' ' ' VAL . 1.0 OUTLIER -125.39 14.39 4.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.412 1.07 . . . . 0.0 109.246 -179.941 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.524 ' HB2' ' CB ' ' A' ' 75' ' ' LEU . 3.0 p30 -93.08 126.9 38.41 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.148 . . . . 0.0 109.393 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 1.106 HD22 ' N ' ' A' ' 56' ' ' SER . 0.0 OUTLIER -141.95 162.59 35.08 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.37 1.044 . . . . 0.0 109.28 -179.964 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 1.106 ' N ' HD22 ' A' ' 55' ' ' LEU . 2.6 p -125.8 127.72 46.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 110.002 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.472 ' O ' ' N ' ' A' ' 72' ' ' GLU . 0.2 OUTLIER -130.84 163.84 26.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.606 1.191 . . . . 0.0 110.437 179.973 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.844 ' HB3' HG21 ' A' ' 42' ' ' ILE . . . -131.11 150.99 51.9 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.118 . . . . 0.0 109.295 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.562 ' O ' ' HA ' ' A' ' 69' ' ' THR . 2.3 t -104.33 152.61 22.04 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.406 1.066 . . . . 0.0 109.976 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.48 HG23 ' CB ' ' A' ' 39' ' ' THR . 22.2 m -108.27 142.51 38.45 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.613 1.195 . . . . 0.0 110.38 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.665 ' OG1' ' O ' ' A' ' 68' ' ' SER . 0.7 OUTLIER -142.02 156.04 45.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.568 1.167 . . . . 0.0 110.423 179.964 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -99.88 127.45 46.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.449 1.093 . . . . 0.0 110.359 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -125.94 61.47 1.26 Allowed 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.396 1.06 . . . . 0.0 110.37 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 74.23 -105.42 1.83 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.512 1.133 . . . . 0.0 111.052 -179.872 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -100.99 0.32 37.95 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.582 0.813 . . . . 0.0 110.25 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.634 ' HB3' ' HA2' ' A' ' 34' ' ' GLY . 5.7 mp -111.37 176.91 4.83 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.563 1.164 . . . . 0.0 109.235 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.752 ' HB3' ' O ' ' A' ' 36' ' ' THR . . . -133.14 121.26 22.33 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.457 1.098 . . . . 0.0 109.321 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.923 ' HA ' ' CB ' ' A' ' 33' ' ' SER . 39.8 t -103.69 120.17 40.39 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.983 -179.911 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.611 ' HB ' ' OH ' ' A' ' 35' ' ' TYR . 0.9 OUTLIER -124.25 112.22 16.77 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.485 1.115 . . . . 0.0 110.464 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.534 ' O ' ' N ' ' A' ' 59' ' ' SER . 4.5 tt0 -93.25 126.72 38.51 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.459 1.1 . . . . 0.0 110.262 -179.897 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.77 ' HA ' ' CB ' ' A' ' 58' ' ' ALA . 0.0 OUTLIER -100.9 146.37 27.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.972 -179.95 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.678 ' HA ' ' HA ' ' A' ' 29' ' ' LEU . 0.4 OUTLIER -140.88 154.05 45.98 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.352 1.032 . . . . 0.0 110.294 -179.973 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.857 HD22 HD12 ' A' ' 28' ' ' LEU . 8.8 tt -137.55 134.9 36.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.45 1.094 . . . . 0.0 109.329 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.432 ' HA ' ' O ' ' A' ' 26' ' ' ILE . 0.0 OUTLIER -133.59 114.68 13.81 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.473 1.108 . . . . 0.0 110.456 179.904 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.789 HD12 ' O ' ' A' ' 76' ' ' SER . 0.3 OUTLIER -145.09 137.54 26.03 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.415 1.072 . . . . 0.0 109.34 -179.967 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.825 ' HA ' HG22 ' A' ' 25' ' ' THR . 48.2 m -65.38 137.88 57.78 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.485 1.116 . . . . 0.0 110.058 179.892 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 6.9 mm-40 -53.8 -28.01 32.64 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.463 1.102 . . . . 0.0 110.154 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 3.8 mttt -54.63 -54.81 36.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.456 1.097 . . . . 0.0 109.279 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . 0.561 ' CE1' ' HB2' ' A' ' 52' ' ' ASP . 0.6 OUTLIER -57.46 -37.83 73.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.595 1.184 . . . . 0.0 109.541 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' TRP . . . . . 0.922 ' CZ3' ' CE1' ' A' ' 86' ' ' TYR . 22.5 t-105 -60.28 -37.57 80.88 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.607 1.192 . . . . 0.0 108.063 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -68.69 -32.27 71.97 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.514 1.134 . . . . 0.0 109.322 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . 0.515 ' O ' ' HB2' ' A' ' 83' ' ' ASP . 0.3 OUTLIER -76.8 5.11 8.28 Favored 'General case' 0 C--N 1.326 -0.413 0 O-C-N 124.488 1.118 . . . . 0.0 109.994 179.929 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . 0.515 ' HB2' ' O ' ' A' ' 82' ' ' SER . 20.0 m-20 70.1 146.72 0.06 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.464 1.102 . . . . 0.0 109.311 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.554 ' NH2' ' HD1' ' A' ' 79' ' ' HIS . 6.7 ttp85 177.58 175.02 0.47 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.523 1.139 . . . . 0.0 110.214 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.513 ' HB ' ' CB ' ' A' ' 47' ' ' ASP . 0.8 OUTLIER -134.81 105.51 6.47 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.432 1.082 . . . . 0.0 110.452 179.902 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.922 ' CE1' ' CZ3' ' A' ' 80' ' ' TRP . 0.0 OUTLIER -104.29 132.48 50.5 Favored 'General case' 0 C--N 1.322 -0.592 0 O-C-N 124.495 1.122 . . . . 0.0 111.023 -179.965 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . 1.216 ' HA ' ' CB ' ' A' ' 100' ' ' SER . 0.2 OUTLIER -148.27 126.27 12.05 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.609 1.193 . . . . 0.0 110.417 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' CYS . . . . . 1.065 ' HB3' ' CZ3' ' A' ' 44' ' ' TRP . 17.1 p -84.51 99.39 10.69 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.524 1.14 . . . . 0.0 108.233 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . 0.473 ' HA ' ' O ' ' A' ' 97' ' ' PHE . 52.5 tt0 -93.06 102.45 14.78 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.454 1.096 . . . . 0.0 110.297 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 1.003 HG11 HG21 ' A' ' 32' ' ' VAL . 0.5 OUTLIER -96.44 122.88 48.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.432 1.083 . . . . 0.0 109.168 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.87 ' O ' ' HB ' ' A' ' 40' ' ' ILE . 0.6 OUTLIER -92.53 165.85 12.81 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.538 1.149 . . . . 0.0 110.362 179.957 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . 0.836 ' CD1' HD12 ' A' ' 40' ' ' ILE . 36.7 m-85 -135.53 159.63 41.01 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.477 1.111 . . . . 0.0 111.05 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . 0.417 ' CD ' ' CG2' ' A' ' 36' ' ' THR . 0.8 OUTLIER -47.45 -26.35 1.33 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 110.339 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -156.65 33.58 0.58 Allowed Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.414 1.071 . . . . 0.0 110.938 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . 0.49 ' C ' ' HB2' ' A' ' 92' ' ' TYR . 2.7 t-160 -157.79 178.92 9.71 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.536 0.786 . . . . 0.0 109.569 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 12.5 t -159.37 156.5 28.62 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.466 1.103 . . . . 0.0 110.404 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . 0.72 ' CD2' HG11 ' A' ' 9' ' ' VAL . 18.1 t80 -160.7 160.01 30.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 111.007 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.568 ' HG2' HG22 ' A' ' 87' ' ' THR . 29.5 tt0 -157.72 130.81 7.59 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.46 1.1 . . . . 0.0 110.293 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . 0.602 ' O ' ' SG ' ' A' ' 88' ' ' CYS . 4.4 m-20 -158.28 129.64 6.56 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.617 1.198 . . . . 0.0 109.271 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . 1.216 ' CB ' ' HA ' ' A' ' 87' ' ' THR . 40.7 t -167.02 -141.84 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.471 1.107 . . . . 0.0 109.929 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . 0.662 HG23 ' CD1' ' A' ' 86' ' ' TYR . 9.0 t -132.17 173.02 11.67 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.476 1.11 . . . . 0.0 110.458 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.416 ' CB ' ' OG1' ' A' ' 85' ' ' THR . 0.0 OUTLIER -171.43 137.17 1.06 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.555 1.159 . . . . 0.0 109.317 -179.833 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 2.7 mmtt -150.58 -173.67 4.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.545 1.153 . . . . 0.0 109.211 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . 0.513 ' C ' ' OD1' ' A' ' 83' ' ' ASP . 5.0 t -149.39 18.83 0.94 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.53 1.144 . . . . 0.0 109.915 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.428 1.08 . . . . 0.0 109.342 179.984 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . 0.444 ' O ' ' C ' ' A' ' 2' ' ' ARG . 2.6 m . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 110.001 -0.37 . . . . 0.0 110.001 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . 0.444 ' C ' ' O ' ' A' ' 1' ' ' SER . 4.7 mtt85 35.68 -136.95 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.471 1.107 . . . . 0.0 110.375 -179.899 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.428 ' O ' ' O ' ' A' ' 2' ' ' ARG . 0.0 OUTLIER 57.66 157.4 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.446 1.091 . . . . 0.0 109.332 -179.941 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.464 ' O ' ' CG ' ' A' ' 4' ' ' PHE . 0.6 OUTLIER 56.67 95.91 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.453 1.096 . . . . 0.0 110.955 -179.994 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.691 ' O ' ' HD3' ' A' ' 7' ' ' PRO . 0.5 OUTLIER -165.42 151.96 9.01 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.149 . . . . 0.0 110.346 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.625 ' HB3' ' CE1' ' A' ' 95' ' ' HIS . 18.5 Cg_endo -74.99 106.01 2.19 Favored 'Trans proline' 0 C--N 1.362 1.243 0 O-C-N 124.497 1.788 . . . . 0.0 111.009 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.882 ' HG3' ' N ' ' A' ' 35' ' ' TYR . 18.2 Cg_endo -74.97 -94.83 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.51 1.795 . . . . 0.0 110.973 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.642 ' OG1' ' C ' ' A' ' 7' ' ' PRO . 0.2 OUTLIER -171.14 149.94 2.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 110.332 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.96 HG23 ' HB ' ' A' ' 32' ' ' VAL . 9.3 p -132.37 148.45 31.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.605 1.19 . . . . 0.0 109.191 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.711 ' CB ' HD12 ' A' ' 31' ' ' LEU . 1.9 mtpt -135.77 162.84 31.65 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.589 1.181 . . . . 0.0 109.304 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.615 HG13 ' HA ' ' A' ' 100' ' ' SER . 0.0 OUTLIER -133.5 116.01 23.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 O-C-N 124.482 1.114 . . . . 0.0 109.324 179.982 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.995 HD12 HD21 ' A' ' 31' ' ' LEU . 72.5 mt -114.85 132.43 56.51 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.57 1.169 . . . . 0.0 109.322 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -107.18 148.99 28.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.332 1.02 . . . . 0.0 110.21 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.487 ' N ' ' O ' ' A' ' 27' ' ' GLN . 1.8 t -132.54 69.81 1.48 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.548 1.155 . . . . 0.0 109.881 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 35.1 p -112.53 83.84 1.88 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 0.0 109.983 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -85.38 -168.19 2.13 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.451 1.095 . . . . 0.0 110.057 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 19.5 t70 178.55 160.1 0.59 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.593 1.183 . . . . 0.0 109.292 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 160.97 -56.89 0.31 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.476 1.11 . . . . 0.0 111.032 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 162.37 144.77 4.11 Favored Glycine 0 CA--C 1.53 1.023 0 N-CA-C 110.9 -0.88 . . . . 0.0 110.9 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -179.51 154.36 13.68 Favored Glycine 0 CA--C 1.53 1.001 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 1.5 m-70 -78.58 -38.37 40.31 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.557 0.798 . . . . 0.0 109.621 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 6.8 m-85 -65.22 168.29 8.09 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.547 1.154 . . . . 0.0 110.974 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.436 ' HA ' ' HD3' ' A' ' 24' ' ' PRO . 18.0 Cg_endo -75.01 139.29 24.09 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.494 1.786 . . . . 0.0 110.978 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.479 ' O ' ' CB ' ' A' ' 77' ' ' GLN . 18.0 Cg_endo -75.17 136.04 19.55 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.579 1.831 . . . . 0.0 111.036 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.99 HG22 ' HA ' ' A' ' 76' ' ' SER . 2.2 p -139.62 -179.93 6.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.154 . . . . 0.0 110.336 -179.906 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.945 HD11 HD12 ' A' ' 28' ' ' LEU . 0.0 OUTLIER -135.6 134.09 51.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.524 1.14 . . . . 0.0 109.311 -179.961 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.769 ' HG3' HG23 ' A' ' 74' ' ' THR . 0.9 OUTLIER -113.79 112.22 23.05 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.606 1.191 . . . . 0.0 110.344 179.916 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.945 HD12 HD11 ' A' ' 26' ' ' ILE . 1.6 mt -110.75 106.07 15.15 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.561 1.163 . . . . 0.0 109.376 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.899 HD13 ' N ' ' A' ' 29' ' ' LEU . 0.0 OUTLIER -112.04 125.47 54.12 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.529 1.143 . . . . 0.0 109.193 -179.895 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.483 ' HB3' ' O ' ' A' ' 10' ' ' LYS . 84.0 m -93.62 160.22 14.87 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.652 1.22 . . . . 0.0 108.29 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.995 HD21 HD12 ' A' ' 12' ' ' LEU . 0.1 OUTLIER -122.47 101.84 7.73 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.38 1.05 . . . . 0.0 109.337 179.943 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 1.171 HG22 ' CE2' ' A' ' 35' ' ' TYR . 6.5 p -133.47 124.52 48.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 109.309 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.9 ' CB ' ' HA ' ' A' ' 68' ' ' SER . 26.8 p -153.08 -179.88 8.09 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 109.937 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.755 ' HA2' ' HB3' ' A' ' 66' ' ' LEU . . . 90.16 -40.24 3.04 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.479 1.112 . . . . 0.0 111.128 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 1.171 ' CE2' HG22 ' A' ' 32' ' ' VAL . 7.0 p90 -66.13 146.11 55.03 Favored 'General case' 0 C--N 1.328 -0.364 0 O-C-N 124.536 0.786 . . . . 0.0 110.925 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.777 ' O ' ' O ' ' A' ' 35' ' ' TYR . 0.2 OUTLIER 43.58 158.22 0.01 OUTLIER Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.537 1.148 . . . . 0.0 110.344 179.948 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.888 ' C ' ' HB2' ' A' ' 67' ' ' ALA . 18.1 Cg_endo -75.11 -12.29 21.3 Favored 'Trans proline' 0 C--N 1.362 1.284 0 O-C-N 124.428 1.751 . . . . 0.0 110.925 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.757 ' C ' ' HB1' ' A' ' 67' ' ' ALA . . . -121.89 -45.62 0.33 Allowed Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.593 1.183 . . . . 0.0 111.029 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.646 ' CB ' ' O ' ' A' ' 38' ' ' GLY . 1.0 OUTLIER 155.02 169.86 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 0.775 . . . . 0.0 110.435 179.979 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 1.068 HG23 ' CD1' ' A' ' 35' ' ' TYR . 0.3 OUTLIER -98.45 -147.95 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.49 1.119 . . . . 0.0 109.285 -179.959 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . 0.598 ' N ' HG12 ' A' ' 40' ' ' ILE . 0.3 OUTLIER -97.98 132.86 43.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.607 1.192 . . . . 0.0 109.235 -179.967 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.855 HG21 ' HB3' ' A' ' 58' ' ' ALA . 6.8 mt -105.76 121.17 57.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.417 1.073 . . . . 0.0 109.376 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.526 ' C ' ' CD1' ' A' ' 44' ' ' TRP . 4.7 m -156.84 162.2 39.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.572 1.17 . . . . 0.0 110.418 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 1.077 ' CZ3' ' HB3' ' A' ' 88' ' ' CYS . 10.0 m95 -141.57 130.46 23.06 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.639 1.212 . . . . 0.0 107.973 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -91.95 112.09 23.89 Favored 'General case' 0 C--N 1.328 -0.363 0 O-C-N 124.519 1.137 . . . . 0.0 109.266 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.44 ' HG3' ' N ' ' A' ' 47' ' ' ASP . 1.2 tt0 -98.34 143.05 29.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 110.343 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.502 ' CB ' ' HB ' ' A' ' 85' ' ' THR . 0.1 OUTLIER -142.11 97.17 3.08 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.581 1.175 . . . . 0.0 109.413 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.437 ' HA3' ' CG ' ' A' ' 84' ' ' ARG . . . 139.66 44.02 0.07 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.451 1.094 . . . . 0.0 110.955 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 75.54 97.06 0.07 Allowed 'General case' 0 C--N 1.322 -0.602 0 O-C-N 124.406 0.709 . . . . 0.0 110.33 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.625 ' O ' HG13 ' A' ' 50' ' ' VAL . 5.7 p -83.39 103.58 10.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 109.195 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -84.84 150.35 25.07 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.523 1.14 . . . . 0.0 111.01 179.885 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -69.31 -3.03 12.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.537 1.148 . . . . 0.0 109.336 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.651 ' CG1' ' O ' ' A' ' 53' ' ' VAL . 0.9 OUTLIER -107.07 10.95 9.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.593 1.183 . . . . 0.0 109.286 179.973 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.464 ' HA ' ' O ' ' A' ' 74' ' ' THR . 25.8 m-20 -142.21 91.06 2.3 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.566 1.166 . . . . 0.0 109.304 -179.887 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 1.116 HD22 ' N ' ' A' ' 56' ' ' SER . 0.0 OUTLIER -137.28 162.26 34.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 0.0 109.41 179.944 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 1.116 ' N ' HD22 ' A' ' 55' ' ' LEU . 0.0 OUTLIER -128.76 133.09 47.99 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.514 1.134 . . . . 0.0 109.972 179.949 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.499 ' O ' ' N ' ' A' ' 72' ' ' GLU . 0.2 OUTLIER -133.11 156.6 47.13 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 110.48 179.951 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.855 ' HB3' HG21 ' A' ' 42' ' ' ILE . . . -128.5 151.39 49.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.457 1.098 . . . . 0.0 109.262 -179.848 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.599 ' O ' ' HA ' ' A' ' 69' ' ' THR . 0.4 OUTLIER -105.03 156.97 17.56 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.443 1.089 . . . . 0.0 109.993 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.595 ' HA ' ' OG1' ' A' ' 69' ' ' THR . 2.2 t -106.41 141.62 37.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.553 1.158 . . . . 0.0 110.331 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.793 ' OG1' ' O ' ' A' ' 68' ' ' SER . 0.0 OUTLIER -143.6 162.35 36.13 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.441 1.088 . . . . 0.0 110.433 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -98.43 129.21 45.05 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.56 1.162 . . . . 0.0 110.369 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -127.65 64.19 1.36 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.51 1.131 . . . . 0.0 110.351 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 73.86 -107.64 2.3 Favored Glycine 0 CA--C 1.531 1.077 0 O-C-N 124.428 1.08 . . . . 0.0 111.038 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -100.14 0.23 40.2 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.381 0.695 . . . . 0.0 110.33 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.755 ' HB3' ' HA2' ' A' ' 34' ' ' GLY . 5.3 mp -115.91 -175.82 2.81 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.557 1.161 . . . . 0.0 109.181 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.888 ' HB2' ' C ' ' A' ' 37' ' ' PRO . . . -131.63 124.06 29.13 Favored 'General case' 0 C--N 1.327 -0.371 0 O-C-N 124.53 1.144 . . . . 0.0 109.36 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.9 ' HA ' ' CB ' ' A' ' 33' ' ' SER . 47.6 t -108.5 117.63 34.66 Favored 'General case' 0 C--N 1.323 -0.564 0 O-C-N 124.529 1.143 . . . . 0.0 110.135 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.894 ' HB ' ' OH ' ' A' ' 35' ' ' TYR . 0.7 OUTLIER -117.57 125.04 50.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.632 1.208 . . . . 0.0 110.451 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.617 ' O ' ' HA ' ' A' ' 58' ' ' ALA . 2.3 tt0 -93.53 124.95 37.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.11 . . . . 0.0 110.247 -179.884 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.753 ' HA ' ' HB2' ' A' ' 58' ' ' ALA . 0.1 OUTLIER -97.13 143.67 27.72 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.463 1.102 . . . . 0.0 110.034 179.979 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.66 ' HA ' ' HA ' ' A' ' 29' ' ' LEU . 1.0 OUTLIER -136.88 155.83 49.26 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.569 1.168 . . . . 0.0 110.215 -179.962 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.991 ' HG ' HD11 ' A' ' 75' ' ' LEU . 13.3 tp -140.39 147.43 39.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.59 1.181 . . . . 0.0 109.287 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.863 ' H ' HD12 ' A' ' 73' ' ' LEU . 0.1 OUTLIER -148.01 120.71 8.63 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.128 . . . . 0.0 110.313 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.991 HD11 ' HG ' ' A' ' 73' ' ' LEU . 0.0 OUTLIER -141.82 167.05 23.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.603 1.189 . . . . 0.0 109.292 179.858 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.99 ' HA ' HG22 ' A' ' 25' ' ' THR . 41.0 t -87.8 141.13 28.83 Favored 'General case' 0 C--N 1.327 -0.408 0 O-C-N 124.433 1.083 . . . . 0.0 110.015 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . 0.479 ' CB ' ' O ' ' A' ' 24' ' ' PRO . 0.9 OUTLIER -59.53 -34.12 72.23 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.504 1.128 . . . . 0.0 110.373 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 15.5 tptt -54.14 -56.82 14.53 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.456 1.097 . . . . 0.0 109.257 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . 0.468 ' CB ' ' NH2' ' A' ' 84' ' ' ARG . 17.0 m80 -55.6 -34.97 65.34 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.412 1.07 . . . . 0.0 109.634 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' TRP . . . . . 0.918 ' CZ3' ' CZ ' ' A' ' 86' ' ' TYR . 25.2 t-105 -61.63 -41.24 97.21 Favored 'General case' 0 N--CA 1.451 -0.394 0 O-C-N 124.452 1.095 . . . . 0.0 108.06 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.531 ' HA ' ' CB ' ' A' ' 105' ' ' ALA . 9.3 tt -70.43 -32.41 69.99 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 109.36 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . 0.551 ' O ' ' HB3' ' A' ' 83' ' ' ASP . 0.2 OUTLIER -77.42 8.01 4.72 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.586 1.179 . . . . 0.0 109.947 179.945 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . 0.613 ' CB ' ' HA ' ' A' ' 104' ' ' SER . 0.7 OUTLIER 68.42 146.21 0.05 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.504 1.127 . . . . 0.0 109.397 -179.971 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.468 ' NH2' ' CB ' ' A' ' 79' ' ' HIS . 1.0 OUTLIER -179.19 177.36 0.79 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.46 1.1 . . . . 0.0 110.272 -179.978 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.502 ' HB ' ' CB ' ' A' ' 47' ' ' ASP . 0.9 OUTLIER -135.41 110.48 8.87 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.527 1.142 . . . . 0.0 110.314 179.954 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.918 ' CZ ' ' CZ3' ' A' ' 80' ' ' TRP . 0.0 OUTLIER -112.67 121.82 45.87 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.518 1.136 . . . . 0.0 110.931 179.916 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . 1.477 ' HA ' ' CB ' ' A' ' 100' ' ' SER . 6.1 m -139.15 138.36 36.91 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.54 1.15 . . . . 0.0 110.365 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' CYS . . . . . 1.077 ' HB3' ' CZ3' ' A' ' 44' ' ' TRP . 8.9 p -100.44 101.71 12.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.1 . . . . 0.0 108.307 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . 0.486 ' N ' ' O ' ' A' ' 43' ' ' THR . 27.5 tt0 -94.14 110.48 22.2 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.119 . . . . 0.0 110.322 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.948 HG11 HG21 ' A' ' 32' ' ' VAL . 0.3 OUTLIER -107.48 117.67 53.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 O-C-N 124.553 1.158 . . . . 0.0 109.344 -179.965 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 1.024 ' O ' ' HB ' ' A' ' 40' ' ' ILE . 7.0 m -100.1 154.15 18.65 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.398 1.061 . . . . 0.0 110.458 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . 0.796 ' CD2' HG21 ' A' ' 40' ' ' ILE . 0.7 OUTLIER -119.3 160.43 22.25 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.432 1.082 . . . . 0.0 111.098 179.905 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 6.4 pt20 -50.76 -23.69 2.89 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.463 1.102 . . . . 0.0 110.334 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -152.06 31.55 0.89 Allowed Glycine 0 CA--C 1.529 0.93 0 O-C-N 124.379 1.05 . . . . 0.0 111.023 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . 0.625 ' CE1' ' HB3' ' A' ' 6' ' ' PRO . 1.4 t-80 -157.73 179.46 9.2 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.445 0.732 . . . . 0.0 109.711 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.478 ' HA ' ' HA ' ' A' ' 91' ' ' THR . 8.8 t -160.14 152.85 21.23 Favored 'General case' 0 C--N 1.323 -0.573 0 O-C-N 124.453 1.096 . . . . 0.0 110.554 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . 0.43 ' HD2' ' HH ' ' A' ' 92' ' ' TYR . 1.4 m-85 -155.24 159.39 40.03 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.526 1.141 . . . . 0.0 110.967 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.461 ' HG3' ' CG ' ' A' ' 89' ' ' GLN . 1.7 tt0 -155.67 110.28 2.91 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.489 1.118 . . . . 0.0 110.257 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . 0.506 ' O ' ' SG ' ' A' ' 88' ' ' CYS . 5.0 m-20 -138.45 127.05 23.39 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.457 1.098 . . . . 0.0 109.307 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . 1.477 ' CB ' ' HA ' ' A' ' 87' ' ' THR . 0.3 OUTLIER -169.61 -152.92 0.1 Allowed 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.5 1.125 . . . . 0.0 110.044 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . 0.605 HG23 ' CD1' ' A' ' 86' ' ' TYR . 9.0 t -137.85 173.78 11.27 Favored 'General case' 0 C--N 1.323 -0.563 0 O-C-N 124.511 1.132 . . . . 0.0 110.495 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 13.4 pttt -169.01 134.1 1.56 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.558 1.161 . . . . 0.0 109.3 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 11.8 mttt -149.17 -169.56 3.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 109.359 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . 0.613 ' HA ' ' CB ' ' A' ' 83' ' ' ASP . 8.3 t -147.95 16.45 1.09 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 110.057 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . 0.531 ' CB ' ' HA ' ' A' ' 81' ' ' LEU . . . . . . . . 0 C--N 1.326 -0.423 0 O-C-N 124.44 1.088 . . . . 0.0 109.321 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 12.6 p . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 109.972 -0.381 . . . . 0.0 109.972 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -165.94 171.06 13.04 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.574 1.171 . . . . 0.0 110.218 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.658 ' O ' ' CD1' ' A' ' 4' ' ' PHE . 23.1 t70 -163.77 160.75 22.84 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.428 1.08 . . . . 0.0 109.282 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.69 ' CD1' ' C ' ' A' ' 4' ' ' PHE . 0.0 OUTLIER 81.61 156.85 0.13 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 110.938 180.0 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.423 ' OG1' ' HD2' ' A' ' 6' ' ' PRO . 0.0 OUTLIER -91.19 155.44 44.57 Favored Pre-proline 0 C--N 1.327 -0.399 0 O-C-N 124.529 1.143 . . . . 0.0 110.369 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.423 ' HD2' ' OG1' ' A' ' 5' ' ' THR . 18.3 Cg_endo -74.91 113.61 3.83 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.508 1.794 . . . . 0.0 111.059 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.726 ' HA ' ' HB3' ' A' ' 35' ' ' TYR . 18.6 Cg_endo -74.89 153.08 42.1 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.364 1.718 . . . . 0.0 111.052 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.513 ' O ' ' HA ' ' A' ' 32' ' ' VAL . 0.0 OUTLIER -152.82 127.42 9.4 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.106 . . . . 0.0 110.389 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 1.055 HG11 ' CD1' ' A' ' 97' ' ' PHE . 4.4 p -131.95 141.92 44.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.531 1.144 . . . . 0.0 109.238 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.63 ' CD ' HD12 ' A' ' 31' ' ' LEU . 7.0 mtpt -139.15 166.63 24.03 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.54 1.15 . . . . 0.0 109.226 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.486 HD11 ' SG ' ' A' ' 88' ' ' CYS . 0.3 OUTLIER -124.66 122.14 63.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 O-C-N 124.438 1.086 . . . . 0.0 109.407 179.925 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 22.4 mt -122.03 128.35 51.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.563 1.164 . . . . 0.0 109.364 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -107.33 139.84 41.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.383 1.052 . . . . 0.0 110.345 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.507 ' HB2' ' CB ' ' A' ' 27' ' ' GLN . 75.7 m -133.44 76.53 1.67 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 0.0 110.015 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.476 ' O ' ' CG ' ' A' ' 23' ' ' PRO . 16.3 p -126.4 -59.88 1.28 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.475 1.11 . . . . 0.0 110.032 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 4.9 t -79.52 -56.47 4.29 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.641 1.213 . . . . 0.0 110.1 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -85.89 10.83 12.76 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.542 1.151 . . . . 0.0 109.266 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -128.75 73.6 0.45 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.55 1.157 . . . . 0.0 110.956 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 142.05 162.23 9.11 Favored Glycine 0 CA--C 1.53 0.989 0 N-CA-C 111.031 -0.828 . . . . 0.0 111.031 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -83.54 125.2 6.92 Favored Glycine 0 CA--C 1.53 1.004 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 8.2 m-70 66.18 -83.64 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 0.758 . . . . 0.0 109.547 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -157.64 116.03 1.9 Allowed Pre-proline 0 C--N 1.323 -0.548 0 O-C-N 124.486 1.117 . . . . 0.0 111.016 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.476 ' CG ' ' O ' ' A' ' 15' ' ' SER . 18.1 Cg_endo -74.93 141.45 26.87 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.553 1.818 . . . . 0.0 111.024 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.443 ' HD3' ' HA ' ' A' ' 23' ' ' PRO . 18.7 Cg_endo -75.08 3.6 5.51 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.655 1.871 . . . . 0.0 110.998 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.466 ' HB ' ' O ' ' A' ' 75' ' ' LEU . 76.5 p -137.29 -171.56 2.99 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 110.444 179.87 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.867 HD12 ' CZ3' ' A' ' 80' ' ' TRP . 0.2 OUTLIER -135.23 139.11 47.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.545 1.153 . . . . 0.0 109.229 -179.964 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.6 ' HA ' ' O ' ' A' ' 73' ' ' LEU . 24.8 mt-30 -120.71 86.47 2.58 Favored 'General case' 0 C--N 1.327 -0.4 0 O-C-N 124.414 1.071 . . . . 0.0 110.342 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.65 ' O ' ' HB3' ' A' ' 73' ' ' LEU . 0.8 OUTLIER -95.12 101.76 13.53 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.442 1.089 . . . . 0.0 109.408 179.92 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.682 ' HA ' ' HA ' ' A' ' 72' ' ' GLU . 8.5 mp -99.85 118.59 36.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.565 1.166 . . . . 0.0 109.321 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.548 ' CB ' ' HB2' ' A' ' 71' ' ' SER . 0.4 OUTLIER -92.15 127.9 37.8 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.406 1.066 . . . . 0.0 108.254 -179.965 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.851 HD13 ' C ' ' A' ' 31' ' ' LEU . 0.2 OUTLIER -94.94 119.85 34.16 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.12 . . . . 0.0 109.385 179.955 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 1.12 HG22 ' CE2' ' A' ' 35' ' ' TYR . 1.3 p -147.74 108.61 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.411 1.07 . . . . 0.0 109.285 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.912 ' CB ' ' HA ' ' A' ' 68' ' ' SER . 25.6 p -147.46 -178.45 6.24 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.365 1.041 . . . . 0.0 110.052 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.527 ' O ' ' HB3' ' A' ' 66' ' ' LEU . . . 81.91 -49.52 4.1 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.484 1.115 . . . . 0.0 111.063 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 1.12 ' CE2' HG22 ' A' ' 32' ' ' VAL . 4.0 p90 -62.1 146.93 49.04 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 0.753 . . . . 0.0 110.954 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.781 ' O ' ' HB3' ' A' ' 67' ' ' ALA . 3.7 m 50.58 138.07 0.01 OUTLIER Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.572 1.17 . . . . 0.0 110.338 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.1 -12.88 21.34 Favored 'Trans proline' 0 C--N 1.362 1.257 0 O-C-N 124.373 1.723 . . . . 0.0 110.971 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.659 ' O ' HG22 ' A' ' 39' ' ' THR . . . -124.39 4.65 8.8 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.484 1.115 . . . . 0.0 111.101 179.9 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.722 HG23 ' N ' ' A' ' 40' ' ' ILE . 0.7 OUTLIER 93.6 -166.39 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.452 0.736 . . . . 0.0 110.418 179.971 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.947 ' HB ' ' O ' ' A' ' 91' ' ' THR . 0.9 OUTLIER -135.01 -141.66 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.582 1.177 . . . . 0.0 109.359 179.938 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . 0.8 ' C ' HD13 ' A' ' 42' ' ' ILE . 56.5 t30 -115.93 160.78 19.76 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.442 1.089 . . . . 0.0 109.232 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.8 HD13 ' C ' ' A' ' 41' ' ' ASN . 0.8 OUTLIER -114.06 136.45 50.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 O-C-N 124.51 1.131 . . . . 0.0 109.329 179.968 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.515 ' C ' ' CD1' ' A' ' 44' ' ' TRP . 1.1 m -155.6 151.52 27.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.564 1.165 . . . . 0.0 110.416 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 1.037 ' CZ3' ' HB3' ' A' ' 88' ' ' CYS . 20.9 m95 -144.82 130.55 19.07 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.024 -1.102 . . . . 0.0 108.024 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -105.68 117.75 34.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.438 1.086 . . . . 0.0 109.333 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.519 ' CD ' ' CZ ' ' A' ' 84' ' ' ARG . 1.0 OUTLIER -102.72 156.79 17.39 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.451 1.094 . . . . 0.0 110.255 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.572 ' CB ' ' HB ' ' A' ' 85' ' ' THR . 0.2 OUTLIER -150.25 102.49 3.08 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.529 1.143 . . . . 0.0 109.236 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.427 ' O ' ' CB ' ' A' ' 49' ' ' GLN . . . 150.36 58.75 0.01 OUTLIER Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.551 1.157 . . . . 0.0 110.998 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.443 ' O ' ' NH2' ' A' ' 84' ' ' ARG . 0.0 OUTLIER 80.26 102.72 0.06 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.388 0.699 . . . . 0.0 110.218 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.458 ' O ' HG13 ' A' ' 50' ' ' VAL . 8.0 p -80.3 43.55 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 O-C-N 124.548 1.155 . . . . 0.0 109.213 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . 0.656 ' O ' HG22 ' A' ' 53' ' ' VAL . 0.0 OUTLIER -87.25 -174.67 4.97 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.473 1.108 . . . . 0.0 111.038 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -64.67 82.32 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.516 1.135 . . . . 0.0 109.402 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.656 HG22 ' O ' ' A' ' 51' ' ' MET . 3.1 m -111.44 -113.28 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 O-C-N 124.312 1.008 . . . . 0.0 109.296 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.845 ' HB3' ' O ' ' A' ' 74' ' ' THR . 0.2 OUTLIER -143.71 -172.84 3.81 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.568 1.168 . . . . 0.0 109.335 179.956 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 1.01 HD22 ' N ' ' A' ' 56' ' ' SER . 0.0 OUTLIER -154.08 179.48 8.89 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.641 1.213 . . . . 0.0 109.286 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 1.01 ' N ' HD22 ' A' ' 55' ' ' LEU . 0.1 OUTLIER -135.05 135.04 40.98 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.481 1.113 . . . . 0.0 109.981 -179.915 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -130.21 158.65 39.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.549 1.156 . . . . 0.0 110.437 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.788 ' HB3' ' CG2' ' A' ' 42' ' ' ILE . . . -132.76 151.85 51.9 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.117 . . . . 0.0 109.216 -179.896 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.529 ' O ' ' HA ' ' A' ' 69' ' ' THR . 0.6 OUTLIER -107.93 154.44 21.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 0.0 110.024 179.977 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.548 ' HA ' ' OG1' ' A' ' 69' ' ' THR . 1.5 t -105.0 141.64 36.22 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.557 1.161 . . . . 0.0 110.452 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.735 ' OG1' ' O ' ' A' ' 68' ' ' SER . 0.0 OUTLIER -142.4 159.19 42.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.406 1.066 . . . . 0.0 110.504 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 -95.86 130.47 42.8 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.458 1.099 . . . . 0.0 110.271 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.981 ' O ' HD12 ' A' ' 66' ' ' LEU . 7.7 mt-10 -129.53 64.23 1.5 Allowed 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.509 1.131 . . . . 0.0 110.258 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 73.39 -107.92 2.36 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.559 1.162 . . . . 0.0 110.996 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -99.81 0.32 41.33 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 0.779 . . . . 0.0 110.255 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.981 HD12 ' O ' ' A' ' 63' ' ' GLU . 0.0 OUTLIER -115.73 179.22 4.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.558 1.161 . . . . 0.0 109.331 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.781 ' HB3' ' O ' ' A' ' 36' ' ' THR . . . -129.53 118.98 22.93 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.582 1.176 . . . . 0.0 109.283 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.912 ' HA ' ' CB ' ' A' ' 33' ' ' SER . 23.0 t -102.82 115.29 30.31 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.54 1.15 . . . . 0.0 109.996 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.829 ' HB ' ' OH ' ' A' ' 35' ' ' TYR . 0.8 OUTLIER -116.37 119.63 36.27 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.49 1.119 . . . . 0.0 110.398 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.498 ' O ' ' HA ' ' A' ' 58' ' ' ALA . 0.7 OUTLIER -93.26 125.87 38.08 Favored 'General case' 0 C--N 1.323 -0.559 0 O-C-N 124.54 1.15 . . . . 0.0 110.271 -179.951 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.779 ' HA ' ' CB ' ' A' ' 58' ' ' ALA . 0.8 OUTLIER -106.15 141.71 37.05 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.559 1.162 . . . . 0.0 110.107 179.949 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.682 ' HA ' ' HA ' ' A' ' 29' ' ' LEU . 0.5 OUTLIER -133.86 150.09 51.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.364 1.04 . . . . 0.0 110.381 -179.914 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 1.009 HD12 ' N ' ' A' ' 74' ' ' THR . 1.3 tp -129.6 138.2 51.13 Favored 'General case' 0 C--N 1.323 -0.562 0 O-C-N 124.598 1.186 . . . . 0.0 109.41 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 1.009 ' N ' HD12 ' A' ' 73' ' ' LEU . 0.0 OUTLIER -137.55 117.08 12.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.449 1.093 . . . . 0.0 110.372 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.857 HD23 HG21 ' A' ' 26' ' ' ILE . 0.1 OUTLIER -145.44 158.02 43.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 109.278 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.508 ' O ' HD12 ' A' ' 75' ' ' LEU . 0.4 OUTLIER -84.97 141.38 30.38 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 109.973 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 11.4 tm0? -60.12 -28.33 67.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.451 1.094 . . . . 0.0 110.258 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.48 -54.89 26.42 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.489 1.118 . . . . 0.0 109.376 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . 0.565 ' CD2' HG12 ' A' ' 53' ' ' VAL . 18.3 m170 -58.24 -42.74 87.01 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.112 . . . . 0.0 109.585 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' TRP . . . . . 1.028 ' CZ3' ' CZ ' ' A' ' 86' ' ' TYR . 6.4 t-105 -60.63 -19.17 57.34 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.496 1.123 . . . . 0.0 108.044 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.425 ' C ' ' H ' ' A' ' 83' ' ' ASP . 0.1 OUTLIER -81.52 -43.55 18.61 Favored 'General case' 0 C--N 1.328 -0.355 0 O-C-N 124.428 1.08 . . . . 0.0 109.271 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 1.1 p -82.24 30.63 0.4 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.566 1.166 . . . . 0.0 110.039 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . 0.758 ' HB2' ' HB2' ' A' ' 105' ' ' ALA . 0.0 OUTLIER 60.72 149.59 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.539 1.149 . . . . 0.0 109.292 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.543 HH12 ' N ' ' A' ' 47' ' ' ASP . 0.0 OUTLIER -178.42 165.35 1.77 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.586 1.179 . . . . 0.0 110.171 -179.921 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.572 ' HB ' ' CB ' ' A' ' 47' ' ' ASP . 0.9 OUTLIER -129.98 118.15 21.18 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.54 1.15 . . . . 0.0 110.45 -179.97 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 1.028 ' CZ ' ' CZ3' ' A' ' 80' ' ' TRP . 0.0 OUTLIER -109.12 130.37 55.48 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.584 1.178 . . . . 0.0 110.963 -179.905 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . 1.351 ' HA ' ' CB ' ' A' ' 100' ' ' SER . 1.8 m -145.23 123.97 12.59 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.531 1.144 . . . . 0.0 110.466 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' CYS . . . . . 1.037 ' HB3' ' CZ3' ' A' ' 44' ' ' TRP . 20.4 p -96.58 96.81 8.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 108.262 -179.869 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . 0.439 ' N ' ' O ' ' A' ' 43' ' ' THR . 33.9 tt0 -92.27 114.44 26.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.144 . . . . 0.0 110.316 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.938 HG11 HG21 ' A' ' 32' ' ' VAL . 3.1 t -103.5 133.81 46.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.448 1.092 . . . . 0.0 109.3 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.947 ' O ' ' HB ' ' A' ' 40' ' ' ILE . 1.2 m -107.89 163.86 12.76 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.563 1.164 . . . . 0.0 110.375 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . 0.809 ' CE1' HG12 ' A' ' 90' ' ' VAL . 2.1 m-85 -138.41 150.65 46.72 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.473 1.108 . . . . 0.0 111.043 179.862 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 5.8 pt20 -50.42 -21.63 1.54 Allowed 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.52 1.137 . . . . 0.0 110.354 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -154.28 36.44 0.7 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.44 1.088 . . . . 0.0 111.047 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . 0.559 ' CA ' ' HB2' ' A' ' 92' ' ' TYR . 2.2 t-80 -166.08 172.75 11.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 0.755 . . . . 0.0 109.677 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 13.6 t -160.73 154.78 22.86 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.455 1.097 . . . . 0.0 110.454 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . 1.055 ' CD1' HG11 ' A' ' 9' ' ' VAL . 24.4 t80 -169.94 164.54 9.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.441 1.088 . . . . 0.0 111.067 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.775 ' HG2' HG22 ' A' ' 87' ' ' THR . 41.8 tt0 -152.07 133.51 14.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.149 . . . . 0.0 110.397 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . 0.744 ' O ' ' SG ' ' A' ' 88' ' ' CYS . 0.1 OUTLIER -148.39 125.29 11.27 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.501 1.126 . . . . 0.0 109.279 -179.97 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . 1.351 ' CB ' ' HA ' ' A' ' 87' ' ' THR . 0.3 OUTLIER -167.4 -155.27 0.18 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.54 1.15 . . . . 0.0 110.058 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . 0.704 HG23 ' CD1' ' A' ' 86' ' ' TYR . 4.5 t -143.08 173.96 11.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.368 1.042 . . . . 0.0 110.441 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.73 119.33 8.53 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.438 1.086 . . . . 0.0 109.317 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . 0.488 ' HB3' ' H ' ' A' ' 104' ' ' SER . 0.0 OUTLIER -166.85 -116.54 0.01 OUTLIER 'General case' 0 N--CA 1.452 -0.347 0 O-C-N 124.509 1.131 . . . . 0.0 109.294 -179.953 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . 0.785 ' HA ' ' CD1' ' A' ' 80' ' ' TRP . 1.8 t 66.97 17.82 10.54 Favored 'General case' 0 C--N 1.323 -0.564 0 O-C-N 124.543 1.152 . . . . 0.0 110.012 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . 0.758 ' HB2' ' HB2' ' A' ' 83' ' ' ASP . . . . . . . . 0 C--N 1.326 -0.441 0 O-C-N 124.468 1.105 . . . . 0.0 109.256 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 27.7 m . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 110.032 -0.358 . . . . 0.0 110.032 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 177.89 141.31 0.09 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.566 1.166 . . . . 0.0 110.277 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -155.66 134.41 11.91 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.525 1.14 . . . . 0.0 109.263 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER 60.8 141.45 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.476 1.11 . . . . 0.0 110.897 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.779 HG21 ' HG ' ' A' ' 66' ' ' LEU . 0.1 OUTLIER -85.97 169.32 15.88 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.496 1.122 . . . . 0.0 110.389 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.527 ' HD2' HG22 ' A' ' 5' ' ' THR . 18.6 Cg_endo -74.95 113.26 3.75 Favored 'Trans proline' 0 C--N 1.359 1.103 0 O-C-N 124.466 1.772 . . . . 0.0 111.094 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.667 ' HA ' ' HB3' ' A' ' 35' ' ' TYR . 18.6 Cg_endo -74.95 158.35 42.44 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.417 1.746 . . . . 0.0 110.999 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.52 HG22 ' O ' ' A' ' 33' ' ' SER . 2.8 t -161.15 139.1 9.42 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.357 1.036 . . . . 0.0 110.459 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.603 HG11 ' CD1' ' A' ' 97' ' ' PHE . 5.0 p -135.95 143.45 36.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.547 1.154 . . . . 0.0 109.27 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.57 ' N ' ' O ' ' A' ' 31' ' ' LEU . 0.1 OUTLIER -135.96 165.53 25.45 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.456 1.098 . . . . 0.0 109.296 -179.966 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.51 ' CG1' ' O ' ' A' ' 99' ' ' ASP . 0.1 OUTLIER -135.86 120.95 27.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.587 1.179 . . . . 0.0 109.287 -179.871 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 1.009 HD11 HD12 ' A' ' 29' ' ' LEU . 0.0 OUTLIER -129.36 136.47 50.03 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.577 1.173 . . . . 0.0 109.185 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.631 ' HB3' HD23 ' A' ' 28' ' ' LEU . 0.0 OUTLIER -103.56 146.46 28.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.372 1.045 . . . . 0.0 110.272 179.932 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.435 ' HB3' ' CB ' ' A' ' 27' ' ' GLN . 0.1 OUTLIER -132.8 76.19 1.67 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.625 1.203 . . . . 0.0 109.97 -179.965 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 6.5 p -123.77 -41.86 2.22 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.582 1.176 . . . . 0.0 109.958 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.416 ' O ' ' C ' ' A' ' 17' ' ' ASP . 0.1 OUTLIER 77.17 166.6 0.24 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.458 1.099 . . . . 0.0 109.998 -179.941 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.416 ' C ' ' O ' ' A' ' 16' ' ' SER . 0.0 OUTLIER -39.05 157.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.583 1.177 . . . . 0.0 109.372 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 136.81 116.22 1.51 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.438 1.086 . . . . 0.0 111.023 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -90.05 38.89 3.15 Favored Glycine 0 CA--C 1.531 1.056 0 N-CA-C 110.951 -0.86 . . . . 0.0 110.951 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 99.64 -49.8 1.17 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.582 0.813 . . . . 0.0 111.14 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 9.4 p80 -85.17 66.18 9.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.613 0.831 . . . . 0.0 109.6 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.629 ' CB ' ' HD3' ' A' ' 23' ' ' PRO . 0.1 OUTLIER -177.27 -55.81 0.0 OUTLIER Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 0.0 110.991 -179.939 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.629 ' HD3' ' CB ' ' A' ' 22' ' ' PHE . 18.6 Cg_endo -74.94 121.72 6.78 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.57 1.826 . . . . 0.0 111.024 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 -43.25 0.41 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.513 1.796 . . . . 0.0 111.045 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.888 HG22 ' HA ' ' A' ' 76' ' ' SER . 6.0 p -137.07 -167.29 2.07 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 0.0 110.396 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.875 HD13 HD11 ' A' ' 28' ' ' LEU . 0.1 OUTLIER -138.1 135.14 44.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 109.231 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.51 ' HA ' ' O ' ' A' ' 73' ' ' LEU . 6.9 mt-30 -117.68 83.61 2.02 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.571 1.169 . . . . 0.0 110.396 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.875 HD11 HD13 ' A' ' 26' ' ' ILE . 1.5 mt -99.04 110.75 23.3 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 109.288 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 1.009 HD12 HD11 ' A' ' 12' ' ' LEU . 0.0 OUTLIER -114.62 154.47 28.3 Favored 'General case' 0 C--N 1.323 -0.56 0 O-C-N 124.51 1.131 . . . . 0.0 109.34 179.955 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.502 ' HB2' ' HB3' ' A' ' 71' ' ' SER . 0.1 OUTLIER -108.97 159.39 16.86 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.503 1.127 . . . . 0.0 108.37 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.593 HD13 HD12 ' A' ' 12' ' ' LEU . 6.6 mp -123.03 90.05 3.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.422 1.076 . . . . 0.0 109.302 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 1.095 HG22 ' CE2' ' A' ' 35' ' ' TYR . 0.9 OUTLIER -124.1 114.14 39.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.511 1.132 . . . . 0.0 109.338 179.969 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.872 ' CB ' ' HA ' ' A' ' 68' ' ' SER . 16.9 p -154.09 -179.79 8.21 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.553 1.158 . . . . 0.0 110.072 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.709 ' HA2' ' HB3' ' A' ' 66' ' ' LEU . . . 81.85 -46.16 3.43 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.555 1.159 . . . . 0.0 110.99 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 1.095 ' CE2' HG22 ' A' ' 32' ' ' VAL . 7.3 p90 -65.73 152.5 44.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.415 0.715 . . . . 0.0 111.001 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.756 ' O ' ' CB ' ' A' ' 67' ' ' ALA . 4.4 m 47.26 138.21 0.0 OUTLIER Pre-proline 0 C--N 1.327 -0.392 0 O-C-N 124.44 1.087 . . . . 0.0 110.368 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.425 ' C ' ' HB2' ' A' ' 67' ' ' ALA . 18.0 Cg_endo -74.99 -12.94 21.55 Favored 'Trans proline' 0 C--N 1.362 1.251 0 O-C-N 124.453 1.765 . . . . 0.0 111.013 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.676 ' O ' HG22 ' A' ' 39' ' ' THR . . . -124.87 2.73 8.56 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.546 1.154 . . . . 0.0 111.039 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.71 HG23 ' N ' ' A' ' 40' ' ' ILE . 0.7 OUTLIER 93.53 -166.72 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.542 0.789 . . . . 0.0 110.417 179.949 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.948 ' HB ' ' O ' ' A' ' 91' ' ' THR . 0.8 OUTLIER -133.72 -141.21 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 109.319 179.921 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . 0.412 ' HB2' ' HB ' ' A' ' 91' ' ' THR . 2.1 m120 -108.42 155.48 20.52 Favored 'General case' 0 C--N 1.322 -0.59 0 O-C-N 124.573 1.171 . . . . 0.0 109.34 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.889 HG21 ' HB3' ' A' ' 58' ' ' ALA . 6.6 mt -120.07 130.26 74.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.495 1.122 . . . . 0.0 109.268 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.467 ' OG1' ' C ' ' A' ' 42' ' ' ILE . 3.5 m -159.09 161.74 36.46 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.421 1.076 . . . . 0.0 110.505 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 1.088 ' CZ3' ' HB3' ' A' ' 88' ' ' CYS . 21.5 m95 -140.66 129.54 23.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.57 1.169 . . . . 0.0 108.007 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 7.7 tp -91.0 104.55 17.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.547 1.154 . . . . 0.0 109.278 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.465 ' HA ' ' O ' ' A' ' 85' ' ' THR . 1.0 OUTLIER -100.51 152.93 19.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.629 1.206 . . . . 0.0 110.349 179.977 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.492 ' CB ' ' HB ' ' A' ' 85' ' ' THR . 0.4 OUTLIER -150.25 96.74 2.45 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.463 1.102 . . . . 0.0 109.315 -179.908 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.439 ' O ' ' HB3' ' A' ' 49' ' ' GLN . . . 117.88 59.68 0.29 Allowed Glycine 0 CA--C 1.531 1.092 0 O-C-N 124.482 1.114 . . . . 0.0 110.949 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.498 ' HB3' ' NH1' ' A' ' 84' ' ' ARG . 3.6 pp0? 175.57 104.89 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.6 0.824 . . . . 0.0 110.264 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.746 HG13 ' N ' ' A' ' 51' ' ' MET . 1.4 p -62.41 -154.16 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 O-C-N 124.559 1.162 . . . . 0.0 109.325 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . 0.746 ' N ' HG13 ' A' ' 50' ' ' VAL . 0.2 OUTLIER -68.32 54.6 0.08 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.568 1.168 . . . . 0.0 110.955 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.616 ' CG ' ' CE1' ' A' ' 79' ' ' HIS . 7.9 t0 -66.82 -156.53 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.593 1.183 . . . . 0.0 109.238 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.606 ' CG1' ' O ' ' A' ' 53' ' ' VAL . 0.9 OUTLIER -117.6 7.36 7.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.135 . . . . 0.0 109.393 179.972 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.497 ' HB2' ' CB ' ' A' ' 75' ' ' LEU . 3.5 p30 -95.12 115.24 27.17 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.545 1.153 . . . . 0.0 109.291 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 1.182 HD22 ' N ' ' A' ' 56' ' ' SER . 0.0 OUTLIER -136.58 160.88 37.46 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.47 1.106 . . . . 0.0 109.375 179.944 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 1.182 ' N ' HD22 ' A' ' 55' ' ' LEU . 0.1 OUTLIER -126.14 128.73 47.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.14 . . . . 0.0 109.984 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.628 ' OG1' HD21 ' A' ' 55' ' ' LEU . 0.3 OUTLIER -133.16 159.07 41.23 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.442 1.089 . . . . 0.0 110.362 179.969 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.889 ' HB3' HG21 ' A' ' 42' ' ' ILE . . . -134.6 150.96 50.75 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.541 1.151 . . . . 0.0 109.327 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.64 ' O ' ' HA ' ' A' ' 69' ' ' THR . 0.1 OUTLIER -107.96 148.02 30.24 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.554 1.159 . . . . 0.0 109.998 -179.94 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.403 ' HA ' ' OG1' ' A' ' 69' ' ' THR . 2.2 t -105.16 143.49 33.27 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.539 1.149 . . . . 0.0 110.501 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.741 ' OG1' ' O ' ' A' ' 68' ' ' SER . 0.8 OUTLIER -138.36 158.58 44.0 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.523 1.139 . . . . 0.0 110.357 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -99.68 125.56 45.56 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.417 1.073 . . . . 0.0 110.276 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -128.1 66.0 1.37 Allowed 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.357 1.036 . . . . 0.0 110.295 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 74.41 -108.08 2.43 Favored Glycine 0 CA--C 1.529 0.932 0 O-C-N 124.5 1.125 . . . . 0.0 111.047 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -100.84 0.64 38.99 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.508 0.77 . . . . 0.0 110.32 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.779 ' HG ' HG21 ' A' ' 5' ' ' THR . 5.9 mp -112.5 176.54 4.97 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.53 1.144 . . . . 0.0 109.296 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.756 ' CB ' ' O ' ' A' ' 36' ' ' THR . . . -134.95 121.59 20.72 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.501 1.125 . . . . 0.0 109.169 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.872 ' HA ' ' CB ' ' A' ' 33' ' ' SER . 26.7 t -102.68 120.12 40.02 Favored 'General case' 0 C--N 1.327 -0.375 0 O-C-N 124.413 1.07 . . . . 0.0 110.006 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.65 ' HB ' ' OH ' ' A' ' 35' ' ' TYR . 0.9 OUTLIER -123.89 115.72 21.74 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.355 1.034 . . . . 0.0 110.348 -179.944 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.532 ' O ' ' HA ' ' A' ' 58' ' ' ALA . 1.2 pt20 -97.8 122.89 41.43 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.387 1.055 . . . . 0.0 110.227 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.885 ' HA ' ' CB ' ' A' ' 58' ' ' ALA . 1.1 t -100.4 154.03 18.84 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.468 1.105 . . . . 0.0 110.025 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.734 ' HA ' ' HA ' ' A' ' 29' ' ' LEU . 1.1 mt-10 -146.45 156.3 43.19 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.492 1.12 . . . . 0.0 110.264 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.777 HD13 ' CB ' ' A' ' 56' ' ' SER . 25.0 tp -135.77 141.26 44.78 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.437 1.086 . . . . 0.0 109.245 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.569 ' H ' HD12 ' A' ' 73' ' ' LEU . 0.0 OUTLIER -138.16 115.9 11.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.433 1.083 . . . . 0.0 110.436 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.816 HD12 ' O ' ' A' ' 76' ' ' SER . 0.4 OUTLIER -141.45 157.6 44.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.254 -179.977 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.888 ' HA ' HG22 ' A' ' 25' ' ' THR . 0.2 OUTLIER -84.95 143.66 28.83 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.53 1.143 . . . . 0.0 109.984 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . 0.412 ' CD ' ' O ' ' A' ' 23' ' ' PRO . 19.0 pt20 -57.16 -31.7 65.64 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.499 1.124 . . . . 0.0 110.246 -179.875 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.411 ' N ' ' HG3' ' A' ' 77' ' ' GLN . 0.0 OUTLIER -52.79 -57.51 9.94 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.571 1.17 . . . . 0.0 109.323 -179.981 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . 0.616 ' CE1' ' CG ' ' A' ' 52' ' ' ASP . 0.4 OUTLIER -56.7 -37.86 71.5 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 109.583 179.971 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' TRP . . . . . 0.922 ' CZ3' ' CZ ' ' A' ' 86' ' ' TYR . 8.9 t-105 -62.47 -36.98 84.18 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 107.962 -1.125 . . . . 0.0 107.962 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -69.84 -32.8 71.4 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.579 1.174 . . . . 0.0 109.251 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . 0.46 ' O ' ' HB3' ' A' ' 83' ' ' ASP . 1.4 t -76.25 4.7 8.22 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.461 1.1 . . . . 0.0 110.017 -179.908 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . 0.534 ' CB ' ' HA ' ' A' ' 104' ' ' SER . 0.2 OUTLIER 67.38 143.67 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.398 0 O-C-N 124.534 1.146 . . . . 0.0 109.314 -179.968 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.595 ' NH2' HD13 ' A' ' 75' ' ' LEU . 0.0 OUTLIER 179.33 -171.25 0.14 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 110.28 179.921 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.492 ' HB ' ' CB ' ' A' ' 47' ' ' ASP . 0.7 OUTLIER -134.05 129.72 36.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 0.0 110.463 179.968 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.922 ' CZ ' ' CZ3' ' A' ' 80' ' ' TRP . 0.0 OUTLIER -127.44 116.44 20.44 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.485 1.116 . . . . 0.0 111.092 179.929 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . 1.448 ' HA ' ' CB ' ' A' ' 100' ' ' SER . 8.6 m -139.4 137.71 35.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.669 1.231 . . . . 0.0 110.408 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' CYS . . . . . 1.088 ' HB3' ' CZ3' ' A' ' 44' ' ' TRP . 22.2 p -97.21 100.24 11.71 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.487 1.117 . . . . 0.0 108.332 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . 0.441 ' CB ' ' HG3' ' A' ' 98' ' ' GLU . 5.7 tt0 -93.04 116.94 29.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.149 . . . . 0.0 110.333 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 1.061 HG11 HG21 ' A' ' 32' ' ' VAL . 2.7 t -105.03 136.51 38.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.385 1.053 . . . . 0.0 109.283 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.948 ' O ' ' HB ' ' A' ' 40' ' ' ILE . 1.0 OUTLIER -110.76 165.7 11.62 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.616 1.197 . . . . 0.0 110.326 -179.948 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . 0.858 ' CE1' HG12 ' A' ' 90' ' ' VAL . 8.8 m-85 -140.85 156.61 46.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.45 1.094 . . . . 0.0 110.993 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -47.82 -24.79 1.07 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.487 1.117 . . . . 0.0 110.319 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -156.78 35.83 0.57 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.401 1.063 . . . . 0.0 110.973 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . 0.509 ' CA ' ' HB2' ' A' ' 92' ' ' TYR . 1.2 t-80 -161.71 178.52 8.92 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.553 0.796 . . . . 0.0 109.591 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.415 ' O ' ' CD2' ' A' ' 97' ' ' PHE . 6.0 t -159.22 167.09 29.91 Favored 'General case' 0 C--N 1.323 -0.576 0 O-C-N 124.519 1.137 . . . . 0.0 110.448 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . 0.603 ' CD1' HG11 ' A' ' 9' ' ' VAL . 4.4 m-85 -162.48 161.85 27.24 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.538 1.149 . . . . 0.0 111.033 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.441 ' HG3' ' CB ' ' A' ' 89' ' ' GLN . 7.7 tt0 -159.2 115.04 2.56 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.393 1.058 . . . . 0.0 110.289 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . 0.567 ' O ' ' SG ' ' A' ' 88' ' ' CYS . 1.0 OUTLIER -144.17 125.12 14.34 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.414 1.071 . . . . 0.0 109.357 -179.973 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . 1.448 ' CB ' ' HA ' ' A' ' 87' ' ' THR . 0.3 OUTLIER -173.13 -151.32 0.05 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.471 1.107 . . . . 0.0 109.984 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . 0.8 HG23 ' CD1' ' A' ' 86' ' ' TYR . 3.8 t -138.0 -179.78 5.98 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 110.406 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.449 ' N ' ' OG1' ' A' ' 101' ' ' THR . 0.0 OUTLIER -166.41 140.96 4.3 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.586 1.179 . . . . 0.0 109.306 180.0 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . 0.52 ' HD2' ' CE2' ' A' ' 80' ' ' TRP . 0.0 OUTLIER -150.43 167.16 27.94 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.52 1.137 . . . . 0.0 109.363 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . 0.534 ' HA ' ' CB ' ' A' ' 83' ' ' ASP . 6.3 t -139.76 41.82 2.0 Allowed 'General case' 0 C--N 1.323 -0.574 0 O-C-N 124.584 1.178 . . . . 0.0 110.022 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . 0.455 ' H ' ' CG ' ' A' ' 103' ' ' LYS . . . . . . . . 0 C--N 1.324 -0.539 0 O-C-N 124.589 1.18 . . . . 0.0 109.38 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.35 135.13 53.96 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.444 1.09 . . . . 0.0 110.289 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -165.09 168.67 17.06 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.457 1.098 . . . . 0.0 109.336 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.563 ' CZ ' ' HD3' ' A' ' 7' ' ' PRO . 0.0 OUTLIER 63.14 130.95 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.537 1.148 . . . . 0.0 111.016 179.953 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.534 HG21 ' O ' ' A' ' 34' ' ' GLY . 0.5 OUTLIER -86.99 166.06 28.49 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.521 1.138 . . . . 0.0 110.416 179.979 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.472 ' HD2' HG23 ' A' ' 5' ' ' THR . 18.0 Cg_endo -74.94 117.3 4.87 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.547 1.814 . . . . 0.0 111.042 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.563 ' HD3' ' CZ ' ' A' ' 4' ' ' PHE . 18.2 Cg_endo -75.08 157.18 42.56 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.567 1.825 . . . . 0.0 110.922 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.595 ' O ' ' HA ' ' A' ' 32' ' ' VAL . 0.0 OUTLIER -148.87 123.3 9.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.536 1.148 . . . . 0.0 110.426 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.679 HG23 ' HB ' ' A' ' 32' ' ' VAL . 3.3 p -128.91 139.7 51.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.52 1.138 . . . . 0.0 109.252 -179.876 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.554 ' N ' ' O ' ' A' ' 31' ' ' LEU . 8.8 tptt -136.89 149.93 47.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 109.268 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.649 HD13 ' SG ' ' A' ' 88' ' ' CYS . 0.5 OUTLIER -128.09 118.71 49.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.426 1.079 . . . . 0.0 109.268 -179.939 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.842 HD13 ' N ' ' A' ' 12' ' ' LEU . 0.0 OUTLIER -128.38 148.09 50.68 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.468 1.105 . . . . 0.0 109.341 -179.944 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -108.97 146.29 34.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.125 . . . . 0.0 110.384 179.86 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.484 ' HB3' ' CB ' ' A' ' 27' ' ' GLN . 6.5 t -132.52 79.13 1.84 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.462 1.101 . . . . 0.0 109.918 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 42.7 t -114.29 -54.49 2.58 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.521 1.138 . . . . 0.0 109.971 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.416 ' O ' ' C ' ' A' ' 17' ' ' ASP . 18.9 p -76.09 -59.87 2.57 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.57 1.169 . . . . 0.0 109.977 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.416 ' C ' ' O ' ' A' ' 16' ' ' SER . 35.3 t70 -39.23 157.14 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 109.248 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 120.85 58.63 0.23 Allowed Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.488 1.117 . . . . 0.0 110.99 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 44.38 -100.34 0.02 OUTLIER Glycine 0 CA--C 1.529 0.941 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -137.59 144.45 15.86 Favored Glycine 0 CA--C 1.531 1.073 0 N-CA-C 110.994 -0.843 . . . . 0.0 110.994 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 70.28 145.68 0.06 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.627 0.839 . . . . 0.0 109.561 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 36.2 p90 -165.87 149.48 6.98 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.543 1.152 . . . . 0.0 110.991 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.89 159.43 41.73 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.562 1.822 . . . . 0.0 111.033 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.97 68.58 5.71 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.484 1.781 . . . . 0.0 111.035 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.446 ' HB ' ' O ' ' A' ' 75' ' ' LEU . 82.4 p -144.97 -168.55 2.96 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.556 1.16 . . . . 0.0 110.365 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.78 HD12 ' CE3' ' A' ' 80' ' ' TRP . 0.4 OUTLIER -143.51 137.44 25.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.533 1.145 . . . . 0.0 109.305 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.499 ' HA ' ' O ' ' A' ' 73' ' ' LEU . 23.1 mt-30 -115.69 84.92 2.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.378 1.049 . . . . 0.0 110.355 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.893 ' HB2' HD22 ' A' ' 73' ' ' LEU . 1.3 mt -92.62 104.51 16.8 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 109.354 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.716 ' O ' HD22 ' A' ' 12' ' ' LEU . 8.6 mp -104.35 132.71 50.3 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 109.346 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.525 ' CB ' ' HB2' ' A' ' 71' ' ' SER . 0.1 OUTLIER -106.99 116.57 32.16 Favored 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.507 1.129 . . . . 0.0 108.26 -179.96 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.944 HD13 ' O ' ' A' ' 31' ' ' LEU . 0.2 OUTLIER -92.08 113.0 25.15 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.556 1.16 . . . . 0.0 109.295 179.93 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 1.167 HG22 ' CE2' ' A' ' 35' ' ' TYR . 3.7 p -142.6 114.13 3.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.513 1.133 . . . . 0.0 109.265 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.934 ' CB ' ' HA ' ' A' ' 68' ' ' SER . 24.3 p -148.5 -175.94 5.12 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.599 1.187 . . . . 0.0 109.973 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.534 ' O ' HG21 ' A' ' 5' ' ' THR . . . 80.37 -47.65 3.47 Favored Glycine 0 CA--C 1.529 0.923 0 O-C-N 124.352 1.033 . . . . 0.0 111.061 -179.895 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 1.167 ' CE2' HG22 ' A' ' 32' ' ' VAL . 7.4 p90 -60.63 144.93 50.76 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.504 0.767 . . . . 0.0 111.123 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.813 ' O ' ' HB3' ' A' ' 67' ' ' ALA . 7.7 m 48.64 138.34 0.0 OUTLIER Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.42 1.075 . . . . 0.0 110.395 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.405 ' C ' ' HB2' ' A' ' 67' ' ' ALA . 17.9 Cg_endo -75.08 -9.59 20.73 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.656 1.871 . . . . 0.0 111.018 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.686 ' O ' HG22 ' A' ' 39' ' ' THR . . . -124.07 3.55 9.08 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.393 1.058 . . . . 0.0 111.108 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.686 HG22 ' O ' ' A' ' 38' ' ' GLY . 0.8 OUTLIER 95.41 -167.91 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.39 0 O-C-N 124.456 0.739 . . . . 0.0 110.398 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 1.077 HG21 ' CD2' ' A' ' 92' ' ' TYR . 2.0 pt -132.9 -143.11 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.544 1.152 . . . . 0.0 109.226 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . 0.4 ' HB2' ' HB ' ' A' ' 91' ' ' THR . 8.0 m-80 -111.9 150.19 30.81 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.512 1.132 . . . . 0.0 109.295 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.874 HG21 ' HB3' ' A' ' 58' ' ' ALA . 4.7 mt -115.23 123.27 70.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 109.403 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.531 ' C ' ' CD1' ' A' ' 44' ' ' TRP . 2.6 m -148.98 160.98 42.81 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.582 1.176 . . . . 0.0 110.276 -179.915 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 1.112 ' CZ3' ' HB3' ' A' ' 88' ' ' CYS . 18.9 m95 -145.27 131.34 19.33 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.475 1.109 . . . . 0.0 108.027 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 14.4 tp -94.56 103.7 15.65 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.468 1.105 . . . . 0.0 109.268 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.997 ' OE1' HG23 ' A' ' 50' ' ' VAL . 52.4 tt0 -100.5 86.59 3.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.113 . . . . 0.0 110.341 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.56 ' CB ' ' HB ' ' A' ' 85' ' ' THR . 0.4 OUTLIER -84.33 86.44 7.26 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.399 1.062 . . . . 0.0 109.332 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.415 ' O ' ' HD2' ' A' ' 84' ' ' ARG . . . 166.91 40.14 0.02 OUTLIER Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.424 1.078 . . . . 0.0 110.972 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 65.35 96.81 0.05 OUTLIER 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.53 0.782 . . . . 0.0 110.302 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.997 HG23 ' OE1' ' A' ' 46' ' ' GLU . 8.2 p -85.9 40.7 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.578 1.174 . . . . 0.0 109.325 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -88.57 -20.04 25.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 111.001 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -64.2 -157.33 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.623 1.202 . . . . 0.0 109.311 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.683 ' CG1' ' O ' ' A' ' 53' ' ' VAL . 0.9 OUTLIER -118.05 14.37 7.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.534 1.146 . . . . 0.0 109.241 179.961 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.542 ' HB2' ' CB ' ' A' ' 75' ' ' LEU . 2.7 p30 -91.77 114.99 27.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.567 1.167 . . . . 0.0 109.238 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 1.12 HD22 ' N ' ' A' ' 56' ' ' SER . 0.0 OUTLIER -139.06 161.84 36.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 109.279 179.883 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 1.12 ' N ' HD22 ' A' ' 55' ' ' LEU . 1.4 p -128.21 129.56 46.64 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.444 1.09 . . . . 0.0 109.944 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -130.94 159.42 37.51 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 0.0 110.377 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.874 ' HB3' HG21 ' A' ' 42' ' ' ILE . . . -130.95 152.19 50.54 Favored 'General case' 0 C--N 1.327 -0.403 0 O-C-N 124.424 1.077 . . . . 0.0 109.301 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.589 ' N ' ' O ' ' A' ' 70' ' ' GLN . 0.1 OUTLIER -105.8 163.11 12.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 0.0 110.001 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.624 ' CG2' HG21 ' A' ' 39' ' ' THR . 1.4 m -108.65 141.83 40.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 110.43 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.789 ' OG1' ' O ' ' A' ' 68' ' ' SER . 0.0 OUTLIER -142.84 159.26 42.57 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.601 1.188 . . . . 0.0 110.49 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -102.77 130.78 49.85 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.101 . . . . 0.0 110.331 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -127.82 60.28 1.45 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.618 1.199 . . . . 0.0 110.342 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 73.58 -105.12 1.72 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.36 1.038 . . . . 0.0 111.036 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -100.1 -1.28 37.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 0.755 . . . . 0.0 110.247 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.502 ' HB3' ' O ' ' A' ' 34' ' ' GLY . 0.1 OUTLIER -111.57 176.31 5.07 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.515 1.134 . . . . 0.0 109.309 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.813 ' HB3' ' O ' ' A' ' 36' ' ' THR . . . -127.91 119.52 25.74 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.501 1.125 . . . . 0.0 109.291 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.934 ' HA ' ' CB ' ' A' ' 33' ' ' SER . 41.9 t -105.5 121.58 44.24 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.51 1.131 . . . . 0.0 109.904 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.927 ' HB ' ' OH ' ' A' ' 35' ' ' TYR . 0.7 OUTLIER -124.05 118.81 27.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.12 . . . . 0.0 110.324 179.91 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.589 ' O ' ' N ' ' A' ' 59' ' ' SER . 5.5 mt-30 -91.12 129.55 37.11 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.583 1.177 . . . . 0.0 110.27 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.73 ' HA ' ' CB ' ' A' ' 58' ' ' ALA . 0.9 OUTLIER -110.9 144.52 39.83 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.383 1.052 . . . . 0.0 109.972 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.637 ' HA ' ' HA ' ' A' ' 29' ' ' LEU . 1.1 mt-10 -136.33 156.16 49.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.422 1.076 . . . . 0.0 110.324 -179.908 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.893 HD22 ' HB2' ' A' ' 28' ' ' LEU . 8.0 tt -138.12 137.53 37.79 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 0.0 109.326 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -136.47 114.63 11.54 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.459 1.099 . . . . 0.0 110.394 -179.888 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 1.037 HD13 ' CE1' ' A' ' 79' ' ' HIS . 0.8 OUTLIER -141.64 158.39 43.88 Favored 'General case' 0 C--N 1.323 -0.56 0 O-C-N 124.575 1.172 . . . . 0.0 109.337 179.913 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.761 ' O ' HD12 ' A' ' 75' ' ' LEU . 0.5 OUTLIER -84.22 139.28 32.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.428 1.08 . . . . 0.0 109.983 -179.911 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 17.4 tt0 -61.3 -33.75 74.09 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.511 1.132 . . . . 0.0 110.271 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -52.55 -56.96 11.62 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.458 1.099 . . . . 0.0 109.337 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . 1.037 ' CE1' HD13 ' A' ' 75' ' ' LEU . 0.0 OUTLIER -54.27 -42.9 70.49 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.454 1.096 . . . . 0.0 109.476 -179.967 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' TRP . . . . . 0.867 ' CE3' ' CZ ' ' A' ' 86' ' ' TYR . 8.5 t-105 -53.0 -35.51 59.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.567 1.167 . . . . 0.0 107.984 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.455 ' C ' ' H ' ' A' ' 83' ' ' ASP . 0.7 OUTLIER -67.45 -37.31 82.79 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.094 . . . . 0.0 109.321 -179.952 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . 0.423 ' O ' ' HB2' ' A' ' 83' ' ' ASP . 28.1 t -79.34 22.11 0.45 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.581 1.176 . . . . 0.0 109.945 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . 0.479 ' OD1' ' OG ' ' A' ' 104' ' ' SER . 2.2 m-20 62.92 149.3 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.382 1.051 . . . . 0.0 109.287 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.566 ' CB ' ' NE2' ' A' ' 79' ' ' HIS . 0.0 OUTLIER 179.7 160.88 0.84 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.615 1.197 . . . . 0.0 110.35 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.56 ' HB ' ' CB ' ' A' ' 47' ' ' ASP . 1.2 m -121.38 101.02 7.36 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.445 1.091 . . . . 0.0 110.406 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.867 ' CZ ' ' CE3' ' A' ' 80' ' ' TRP . 0.0 OUTLIER -103.82 120.35 40.8 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.483 1.114 . . . . 0.0 110.99 -179.932 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . 1.405 ' HA ' ' CB ' ' A' ' 100' ' ' SER . 2.2 m -144.87 133.66 22.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 110.342 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' CYS . . . . . 1.112 ' HB3' ' CZ3' ' A' ' 44' ' ' TRP . 6.4 p -95.8 99.47 11.29 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.56 1.162 . . . . 0.0 108.319 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 4.8 tt0 -92.56 107.72 19.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 110.304 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 1.035 HG11 HG21 ' A' ' 32' ' ' VAL . 0.5 OUTLIER -100.0 122.36 51.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 O-C-N 124.518 1.136 . . . . 0.0 109.215 -179.951 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.994 ' O ' ' HB ' ' A' ' 40' ' ' ILE . 1.0 OUTLIER -101.29 164.46 11.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.562 1.164 . . . . 0.0 110.359 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . 1.077 ' CD2' HG21 ' A' ' 40' ' ' ILE . 1.8 m-85 -134.16 154.24 51.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.41 1.069 . . . . 0.0 110.99 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -50.72 -22.47 2.11 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.585 1.178 . . . . 0.0 110.247 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -152.26 34.35 0.84 Allowed Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.495 1.122 . . . . 0.0 111.026 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . 0.523 ' CA ' ' HB2' ' A' ' 92' ' ' TYR . 1.7 t-160 -165.08 176.18 8.77 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.568 0.805 . . . . 0.0 109.654 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 14.6 t -159.16 154.67 25.85 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.521 1.138 . . . . 0.0 110.471 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . 0.431 ' CD1' HG11 ' A' ' 9' ' ' VAL . 0.2 OUTLIER -163.68 160.72 23.04 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.544 1.153 . . . . 0.0 110.962 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.645 ' HG2' HG22 ' A' ' 87' ' ' THR . 28.1 tt0 -157.15 133.82 10.02 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.111 . . . . 0.0 110.208 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . 0.719 ' O ' ' SG ' ' A' ' 88' ' ' CYS . 46.5 m-20 -154.96 127.63 8.02 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.443 1.089 . . . . 0.0 109.418 179.893 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . 1.405 ' CB ' ' HA ' ' A' ' 87' ' ' THR . 1.1 t -172.41 -151.14 0.06 Allowed 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.471 1.107 . . . . 0.0 109.889 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . 0.771 HG23 ' CD1' ' A' ' 86' ' ' TYR . 5.0 t -138.53 174.47 10.5 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.433 1.083 . . . . 0.0 110.394 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -164.72 116.6 1.23 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.703 1.252 . . . . 0.0 109.314 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 2.8 tttt -165.11 -146.81 0.09 Allowed 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.506 1.129 . . . . 0.0 109.351 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . 0.619 ' HA ' ' O ' ' A' ' 80' ' ' TRP . 5.9 t -154.47 10.35 0.36 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.536 1.147 . . . . 0.0 110.02 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . 0.562 ' HB2' ' O ' ' A' ' 104' ' ' SER . . . . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.441 1.088 . . . . 0.0 109.289 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 1.6 m . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 109.937 -0.394 . . . . 0.0 109.937 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 3.2 ttm-85 -165.14 -177.97 4.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.573 1.171 . . . . 0.0 110.252 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.457 ' O ' ' CB ' ' A' ' 4' ' ' PHE . 19.2 t70 -156.62 163.47 39.29 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.632 1.207 . . . . 0.0 109.23 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.457 ' CB ' ' O ' ' A' ' 3' ' ' ASP . 1.1 t80 72.5 151.67 0.11 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.507 1.13 . . . . 0.0 110.978 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.662 HG21 HD23 ' A' ' 66' ' ' LEU . 0.5 OUTLIER -87.7 161.86 43.54 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.453 1.095 . . . . 0.0 110.348 -179.849 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.455 ' HD2' ' OG1' ' A' ' 5' ' ' THR . 17.9 Cg_endo -75.08 110.7 3.16 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.502 1.791 . . . . 0.0 110.917 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.724 ' HA ' ' HB3' ' A' ' 35' ' ' TYR . 17.9 Cg_endo -75.05 161.59 38.37 Favored 'Trans proline' 0 C--N 1.359 1.087 0 O-C-N 124.601 1.842 . . . . 0.0 110.962 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.631 ' O ' ' HA ' ' A' ' 32' ' ' VAL . 0.0 OUTLIER -153.88 126.4 8.08 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 0.0 110.346 -179.949 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.755 HG11 ' CG ' ' A' ' 97' ' ' PHE . 4.3 p -132.94 142.26 42.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 O-C-N 124.443 1.09 . . . . 0.0 109.161 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.544 ' N ' ' O ' ' A' ' 31' ' ' LEU . 2.8 mttt -142.12 166.33 25.01 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.612 1.195 . . . . 0.0 109.311 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.551 ' CG1' ' O ' ' A' ' 99' ' ' ASP . 0.2 OUTLIER -130.28 120.35 48.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 109.244 -179.972 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.973 HD12 HD13 ' A' ' 31' ' ' LEU . 57.4 mt -124.3 130.82 53.18 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.111 . . . . 0.0 109.399 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.477 ' HB3' ' CD2' ' A' ' 28' ' ' LEU . 0.0 OUTLIER -107.49 141.24 39.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.451 1.094 . . . . 0.0 110.285 -179.952 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.462 ' HB3' ' CB ' ' A' ' 27' ' ' GLN . 0.1 OUTLIER -132.5 72.7 1.5 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.609 1.193 . . . . 0.0 109.965 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 3.1 t -126.15 -58.68 1.36 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.486 1.116 . . . . 0.0 109.937 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.4 ' O ' ' O ' ' A' ' 17' ' ' ASP . 5.4 m 61.83 168.34 0.11 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.456 1.098 . . . . 0.0 110.009 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.4 ' O ' ' O ' ' A' ' 16' ' ' SER . 0.0 OUTLIER -40.0 158.79 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.469 1.105 . . . . 0.0 109.415 179.894 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -42.15 145.22 0.83 Allowed Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.563 1.165 . . . . 0.0 111.013 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 104.44 -77.67 0.27 Allowed Glycine 0 CA--C 1.531 1.045 0 N-CA-C 110.927 -0.869 . . . . 0.0 110.927 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 72.62 -59.05 1.65 Allowed Glycine 0 CA--C 1.53 0.972 0 N-CA-C 110.924 -0.87 . . . . 0.0 110.924 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -160.45 -46.93 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.386 0.698 . . . . 0.0 109.568 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.601 ' CB ' ' HD3' ' A' ' 23' ' ' PRO . 0.2 OUTLIER -177.37 -54.41 0.0 OUTLIER Pre-proline 0 C--N 1.327 -0.411 0 O-C-N 124.459 1.099 . . . . 0.0 110.966 179.961 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.601 ' HD3' ' CB ' ' A' ' 22' ' ' PHE . 18.2 Cg_endo -75.1 118.2 5.16 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.466 1.771 . . . . 0.0 111.027 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.75 72.76 4.38 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.629 1.858 . . . . 0.0 110.998 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.71 HG22 ' HA ' ' A' ' 76' ' ' SER . 1.1 p -137.31 171.79 13.96 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.478 1.111 . . . . 0.0 110.493 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 1.04 ' CG2' HD23 ' A' ' 75' ' ' LEU . 2.4 tt -109.8 133.25 55.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 O-C-N 124.454 1.096 . . . . 0.0 109.353 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.493 ' HA ' ' O ' ' A' ' 73' ' ' LEU . 5.7 mt-30 -115.05 77.94 1.12 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 110.31 -179.911 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.614 HD12 HD23 ' A' ' 73' ' ' LEU . 0.5 OUTLIER -96.76 109.3 21.99 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.444 1.09 . . . . 0.0 109.325 -179.938 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.803 ' HA ' ' HA ' ' A' ' 72' ' ' GLU . 0.4 OUTLIER -112.87 131.35 55.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 109.261 -179.926 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.509 ' SG ' ' O ' ' A' ' 10' ' ' LYS . 0.1 OUTLIER -90.87 150.47 21.52 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.125 . . . . 0.0 108.351 179.844 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.973 HD13 HD12 ' A' ' 12' ' ' LEU . 4.2 mp -114.45 96.57 5.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.551 1.157 . . . . 0.0 109.343 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 1.13 HG22 ' CE2' ' A' ' 35' ' ' TYR . 1.3 p -128.63 108.85 18.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.263 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.859 ' CB ' ' HA ' ' A' ' 68' ' ' SER . 6.4 p -148.66 178.99 8.17 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.462 1.101 . . . . 0.0 110.047 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.654 ' HA2' ' HB3' ' A' ' 66' ' ' LEU . . . 81.42 -46.14 3.37 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.513 1.133 . . . . 0.0 111.032 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 1.13 ' CE2' HG22 ' A' ' 32' ' ' VAL . 4.4 p90 -63.07 148.92 46.43 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.577 0.81 . . . . 0.0 111.036 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.9 ' O ' ' HB3' ' A' ' 67' ' ' ALA . 5.8 m 48.03 135.46 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.551 1.157 . . . . 0.0 110.426 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.411 ' C ' ' HB2' ' A' ' 67' ' ' ALA . 18.2 Cg_endo -75.18 -8.43 19.85 Favored 'Trans proline' 0 C--N 1.362 1.242 0 O-C-N 124.455 1.766 . . . . 0.0 110.948 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.597 ' O ' ' CB ' ' A' ' 39' ' ' THR . . . -127.24 6.48 7.2 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.539 1.15 . . . . 0.0 110.993 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.782 HG23 ' N ' ' A' ' 40' ' ' ILE . 0.5 OUTLIER 90.01 -167.97 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.552 0.795 . . . . 0.0 110.424 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.907 ' HB ' ' O ' ' A' ' 91' ' ' THR . 1.1 pt -135.26 -139.83 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.59 1.182 . . . . 0.0 109.328 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . 0.692 ' O ' HD13 ' A' ' 42' ' ' ILE . 2.2 m-20 -109.4 159.05 17.33 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.429 1.08 . . . . 0.0 109.314 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 1.096 HD11 HG21 ' A' ' 69' ' ' THR . 13.6 mm -125.69 126.59 70.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.689 1.243 . . . . 0.0 109.281 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.48 ' C ' ' CD1' ' A' ' 44' ' ' TRP . 10.1 m -158.8 161.38 36.94 Favored 'General case' 0 C--N 1.323 -0.556 0 O-C-N 124.557 1.161 . . . . 0.0 110.408 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 1.026 ' CZ3' ' HB3' ' A' ' 88' ' ' CYS . 16.4 m95 -140.82 129.42 22.76 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 108.011 -1.107 . . . . 0.0 108.011 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -82.34 97.29 8.25 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.589 1.181 . . . . 0.0 109.255 -179.886 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.475 ' HA ' ' O ' ' A' ' 85' ' ' THR . 5.2 tm-20 -97.67 125.27 42.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.381 1.05 . . . . 0.0 110.288 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.528 ' CB ' ' HB ' ' A' ' 85' ' ' THR . 0.2 OUTLIER -135.43 89.01 2.46 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.585 1.178 . . . . 0.0 109.293 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.494 ' O ' ' NH1' ' A' ' 84' ' ' ARG . . . 141.92 39.68 0.07 OUTLIER Glycine 0 CA--C 1.531 1.076 0 O-C-N 124.475 1.11 . . . . 0.0 110.968 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.483 ' CB ' ' O ' ' A' ' 48' ' ' GLY . 8.1 pt20 161.06 108.23 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.63 0.841 . . . . 0.0 110.24 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.752 HG13 ' N ' ' A' ' 51' ' ' MET . 1.4 p -60.85 -153.89 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.393 1.058 . . . . 0.0 109.351 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . 0.752 ' N ' HG13 ' A' ' 50' ' ' VAL . 0.0 OUTLIER -66.76 54.75 0.04 OUTLIER 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.512 1.132 . . . . 0.0 111.051 179.951 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.48 ' N ' ' O ' ' A' ' 50' ' ' VAL . 1.0 OUTLIER -68.66 -146.38 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.571 1.169 . . . . 0.0 109.267 -179.973 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.863 HG12 ' O ' ' A' ' 53' ' ' VAL . 12.8 t -109.9 35.19 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.55 1.156 . . . . 0.0 109.318 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.48 ' HB3' ' HB2' ' A' ' 75' ' ' LEU . 9.9 m-20 -138.53 112.31 8.37 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.545 1.153 . . . . 0.0 109.355 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 1.163 HD22 ' N ' ' A' ' 56' ' ' SER . 0.0 OUTLIER -139.73 161.11 38.34 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.612 1.195 . . . . 0.0 109.271 -179.894 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 1.163 ' N ' HD22 ' A' ' 55' ' ' LEU . 0.0 OUTLIER -123.79 132.49 53.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.538 1.149 . . . . 0.0 109.985 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.435 ' O ' ' N ' ' A' ' 72' ' ' GLU . 0.3 OUTLIER -134.91 158.36 44.48 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.492 1.12 . . . . 0.0 110.362 -179.883 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.868 ' HB3' HG21 ' A' ' 42' ' ' ILE . . . -130.88 151.35 51.4 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.439 1.087 . . . . 0.0 109.257 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.544 ' O ' ' HA ' ' A' ' 69' ' ' THR . 0.3 OUTLIER -105.14 154.96 19.49 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.434 1.084 . . . . 0.0 110.04 179.93 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.583 ' CG2' HG21 ' A' ' 39' ' ' THR . 1.2 m -106.49 142.3 36.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 110.348 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.722 ' OG1' ' O ' ' A' ' 68' ' ' SER . 0.2 OUTLIER -142.73 156.4 45.01 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.569 1.168 . . . . 0.0 110.362 -179.864 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 11.2 tt0 -100.35 128.24 46.46 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.481 1.113 . . . . 0.0 110.331 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -126.13 62.21 1.26 Allowed 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.494 1.121 . . . . 0.0 110.101 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 74.5 -105.5 1.87 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.447 1.092 . . . . 0.0 110.95 179.852 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -101.21 0.28 37.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 0.782 . . . . 0.0 110.309 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.662 HD23 HG21 ' A' ' 5' ' ' THR . 6.6 mt -111.93 177.88 4.5 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.576 1.172 . . . . 0.0 109.373 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.9 ' HB3' ' O ' ' A' ' 36' ' ' THR . . . -132.14 118.49 19.66 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.593 1.183 . . . . 0.0 109.252 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.859 ' HA ' ' CB ' ' A' ' 33' ' ' SER . 48.5 t -102.72 122.93 45.45 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 109.992 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 1.096 HG21 HD11 ' A' ' 42' ' ' ILE . 0.9 OUTLIER -126.9 120.36 29.01 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.503 1.127 . . . . 0.0 110.341 179.962 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.576 ' O ' ' HA ' ' A' ' 58' ' ' ALA . 1.2 tt0 -98.69 124.29 43.42 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.457 1.098 . . . . 0.0 110.261 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.796 ' HA ' ' CB ' ' A' ' 58' ' ' ALA . 1.2 t -102.57 148.54 25.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.629 1.206 . . . . 0.0 110.01 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.803 ' HA ' ' HA ' ' A' ' 29' ' ' LEU . 51.7 tt0 -138.89 161.2 37.87 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.522 1.139 . . . . 0.0 110.303 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.846 HD12 ' H ' ' A' ' 74' ' ' THR . 3.4 tp -140.68 139.01 34.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 0.0 109.232 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.846 ' H ' HD12 ' A' ' 73' ' ' LEU . 0.0 OUTLIER -135.99 114.33 11.62 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.487 1.117 . . . . 0.0 110.298 -179.915 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 1.04 HD23 ' CG2' ' A' ' 26' ' ' ILE . 0.1 OUTLIER -140.17 163.98 31.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.122 . . . . 0.0 109.245 179.965 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.71 ' HA ' HG22 ' A' ' 25' ' ' THR . 0.4 OUTLIER -86.18 144.16 27.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 110.0 -179.965 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 7.2 tp60 -62.14 -44.71 96.03 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.608 1.192 . . . . 0.0 110.358 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 46.1 tttt -51.88 -47.21 64.62 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.405 1.066 . . . . 0.0 109.234 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . 0.52 ' O ' ' NE ' ' A' ' 84' ' ' ARG . 40.1 m-70 -56.0 -42.71 76.82 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.106 . . . . 0.0 109.63 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' TRP . . . . . 0.867 ' CZ3' ' CD1' ' A' ' 26' ' ' ILE . 6.9 t-105 -59.01 -31.5 68.87 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -62.63 -39.93 95.4 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.461 1.1 . . . . 0.0 109.311 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . 0.457 ' HB3' HH21 ' A' ' 84' ' ' ARG . 3.1 m -72.05 -1.39 14.57 Favored 'General case' 0 C--N 1.327 -0.403 0 O-C-N 124.444 1.09 . . . . 0.0 110.017 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . 0.629 ' CA ' ' HB2' ' A' ' 104' ' ' SER . 0.0 OUTLIER 66.63 145.44 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 0.0 109.267 -179.97 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.689 ' HG3' ' CE2' ' A' ' 86' ' ' TYR . 0.0 OUTLIER -172.6 -173.87 1.08 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.524 1.14 . . . . 0.0 110.222 -179.899 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.528 ' HB ' ' CB ' ' A' ' 47' ' ' ASP . 2.8 m -127.45 97.16 4.78 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.575 1.172 . . . . 0.0 110.447 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.814 ' CD1' HG23 ' A' ' 101' ' ' THR . 0.1 OUTLIER -108.03 102.33 11.51 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 110.988 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . 1.433 ' HA ' ' CB ' ' A' ' 100' ' ' SER . 1.8 m -127.59 144.67 51.05 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.554 1.159 . . . . 0.0 110.433 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' CYS . . . . . 1.026 ' HB3' ' CZ3' ' A' ' 44' ' ' TRP . 29.8 p -95.15 102.24 14.04 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.524 1.14 . . . . 0.0 108.239 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . 0.515 ' H ' ' HA ' ' A' ' 44' ' ' TRP . 0.6 OUTLIER -94.6 108.7 20.66 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.558 1.162 . . . . 0.0 110.284 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 1.054 HG11 HG21 ' A' ' 32' ' ' VAL . 3.0 t -98.62 136.99 27.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.431 1.082 . . . . 0.0 109.278 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.907 ' O ' ' HB ' ' A' ' 40' ' ' ILE . 0.9 OUTLIER -110.08 169.63 8.6 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.42 1.075 . . . . 0.0 110.439 179.966 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . 0.824 ' CD2' HG21 ' A' ' 40' ' ' ILE . 14.7 m-85 -144.68 157.13 44.32 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.387 1.054 . . . . 0.0 110.949 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -46.83 -26.09 0.89 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.546 1.154 . . . . 0.0 110.408 179.86 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -157.09 35.8 0.56 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.484 1.115 . . . . 0.0 111.063 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . 0.501 ' CA ' ' HB2' ' A' ' 92' ' ' TYR . 6.7 t60 -158.16 173.94 15.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 0.777 . . . . 0.0 109.57 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 5.7 t -160.37 165.01 31.97 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.433 1.083 . . . . 0.0 110.338 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . 0.755 ' CG ' HG11 ' A' ' 9' ' ' VAL . 8.5 t80 -176.32 161.11 2.22 Favored 'General case' 0 N--CA 1.451 -0.406 0 O-C-N 124.447 1.092 . . . . 0.0 111.007 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.51 ' HG2' HG22 ' A' ' 87' ' ' THR . 29.6 tt0 -157.2 134.94 10.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 110.381 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . 0.554 ' HB2' ' CZ ' ' A' ' 97' ' ' PHE . 0.5 OUTLIER -156.76 129.66 7.78 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.492 1.12 . . . . 0.0 109.244 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . 1.433 ' CB ' ' HA ' ' A' ' 87' ' ' THR . 0.6 OUTLIER -174.49 -146.03 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.517 1.136 . . . . 0.0 109.929 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . 0.814 HG23 ' CD1' ' A' ' 86' ' ' TYR . 2.1 t -135.62 -175.59 4.0 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.529 1.143 . . . . 0.0 110.453 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.539 ' HA ' ' CE1' ' A' ' 86' ' ' TYR . 0.0 OUTLIER -166.45 -159.21 0.36 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.309 1.006 . . . . 0.0 109.266 -179.967 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . 0.847 ' HG2' ' N ' ' A' ' 104' ' ' SER . 0.0 OUTLIER 60.61 -171.34 0.14 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.556 1.16 . . . . 0.0 109.246 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . 0.847 ' N ' ' HG2' ' A' ' 103' ' ' LYS . 33.5 t -120.2 53.5 1.08 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 109.935 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . 0.754 ' HB2' ' HD3' ' A' ' 103' ' ' LYS . . . . . . . . 0 C--N 1.327 -0.412 0 O-C-N 124.404 1.065 . . . . 0.0 109.379 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 20.3 p . . . . . 0 N--CA 1.452 -0.354 0 N-CA-C 109.988 -0.375 . . . . 0.0 109.988 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -76.26 91.97 3.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.39 1.056 . . . . 0.0 110.294 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.432 ' O ' ' HB3' ' A' ' 4' ' ' PHE . 8.9 t70 -154.27 177.37 11.2 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.495 1.122 . . . . 0.0 109.302 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.558 ' CE1' ' HD3' ' A' ' 7' ' ' PRO . 0.0 OUTLIER 66.08 129.81 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.524 1.14 . . . . 0.0 110.943 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.588 HG21 ' O ' ' A' ' 34' ' ' GLY . 0.5 OUTLIER -87.32 169.45 14.43 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 110.388 179.959 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.528 ' HD2' ' OG1' ' A' ' 5' ' ' THR . 18.1 Cg_endo -75.07 117.53 4.93 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.5 1.79 . . . . 0.0 111.004 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.665 ' HA ' ' HB3' ' A' ' 35' ' ' TYR . 18.5 Cg_endo -74.98 151.41 39.57 Favored 'Trans proline' 0 C--N 1.361 1.218 0 O-C-N 124.39 1.732 . . . . 0.0 110.982 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.567 HG22 ' O ' ' A' ' 33' ' ' SER . 1.8 t -147.81 139.03 23.54 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.57 1.169 . . . . 0.0 110.458 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.744 HG23 ' HB ' ' A' ' 32' ' ' VAL . 3.1 p -134.05 147.5 30.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 0.0 109.285 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.517 ' N ' ' O ' ' A' ' 31' ' ' LEU . 12.3 mtpt -134.76 164.88 26.55 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.53 1.144 . . . . 0.0 109.282 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.503 HG13 ' N ' ' A' ' 100' ' ' SER . 0.4 OUTLIER -131.41 122.63 51.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.542 1.151 . . . . 0.0 109.218 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.928 HD12 HD13 ' A' ' 31' ' ' LEU . 40.6 mt -127.68 129.3 46.92 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.529 1.143 . . . . 0.0 109.294 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -105.23 138.82 40.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.542 1.151 . . . . 0.0 110.253 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.473 ' HB3' ' CB ' ' A' ' 27' ' ' GLN . 0.1 OUTLIER -132.91 73.76 1.54 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.538 1.149 . . . . 0.0 110.017 179.901 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 80.9 p -125.09 118.78 26.9 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.441 1.088 . . . . 0.0 110.029 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.423 ' O ' ' C ' ' A' ' 17' ' ' ASP . 25.0 p -163.69 141.98 7.67 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.495 1.122 . . . . 0.0 110.045 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.423 ' C ' ' O ' ' A' ' 16' ' ' SER . 0.0 OUTLIER -38.6 150.7 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 0.0 109.294 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 160.09 136.84 2.1 Favored Glycine 0 CA--C 1.529 0.914 0 O-C-N 124.41 1.069 . . . . 0.0 111.124 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 122.12 -145.05 16.53 Favored Glycine 0 CA--C 1.531 1.059 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 177.48 -74.65 0.07 OUTLIER Glycine 0 CA--C 1.531 1.092 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 2.8 t-160 -76.27 -62.73 1.52 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.486 0.756 . . . . 0.0 109.469 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.507 ' CG ' ' HD2' ' A' ' 23' ' ' PRO . 0.7 OUTLIER -66.07 152.93 92.94 Favored Pre-proline 0 C--N 1.324 -0.537 0 O-C-N 124.505 1.128 . . . . 0.0 110.947 -179.974 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.507 ' HD2' ' CG ' ' A' ' 22' ' ' PHE . 18.3 Cg_endo -74.94 152.22 40.81 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.471 1.774 . . . . 0.0 110.984 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.42 ' HD3' ' HA ' ' A' ' 23' ' ' PRO . 18.2 Cg_endo -74.97 164.62 33.02 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.481 1.779 . . . . 0.0 111.018 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.498 ' OG1' ' N ' ' A' ' 26' ' ' ILE . 0.2 OUTLIER -142.55 174.56 10.52 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.385 1.053 . . . . 0.0 110.396 -179.978 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.958 HD12 ' CE3' ' A' ' 80' ' ' TRP . 0.6 OUTLIER -107.82 135.75 45.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.578 1.174 . . . . 0.0 109.329 179.905 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.515 ' HA ' ' O ' ' A' ' 73' ' ' LEU . 2.1 mt-30 -118.28 78.99 1.31 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 110.346 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.903 HD12 HD22 ' A' ' 73' ' ' LEU . 1.5 mt -96.98 107.95 20.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.277 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.684 HD12 ' HB2' ' A' ' 12' ' ' LEU . 0.4 OUTLIER -115.12 129.63 56.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.14 . . . . 0.0 109.313 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.537 ' O ' HD12 ' A' ' 31' ' ' LEU . 87.9 m -91.22 167.89 12.0 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.656 1.223 . . . . 0.0 108.281 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.928 HD13 HD12 ' A' ' 12' ' ' LEU . 4.9 mp -127.64 94.88 4.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.13 . . . . 0.0 109.311 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 1.085 HG22 ' CE2' ' A' ' 35' ' ' TYR . 2.5 p -122.13 119.5 58.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.604 1.19 . . . . 0.0 109.3 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.927 ' CB ' ' HA ' ' A' ' 68' ' ' SER . 12.6 p -156.04 -177.33 6.5 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.555 1.16 . . . . 0.0 109.978 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.703 ' CA ' HD23 ' A' ' 66' ' ' LEU . . . 80.56 -45.91 3.18 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.411 1.069 . . . . 0.0 110.934 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 1.085 ' CE2' HG22 ' A' ' 32' ' ' VAL . 4.2 p90 -63.4 152.6 37.72 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.629 0.84 . . . . 0.0 111.028 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.915 ' O ' ' HB3' ' A' ' 67' ' ' ALA . 4.0 m 50.65 144.31 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 110.389 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.614 ' HD2' HG22 ' A' ' 36' ' ' THR . 18.5 Cg_endo -74.89 -13.23 21.72 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.488 1.783 . . . . 0.0 111.077 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.556 ' O ' ' CB ' ' A' ' 39' ' ' THR . . . -123.95 -52.08 0.2 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.56 1.162 . . . . 0.0 110.993 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.727 ' OG1' HG23 ' A' ' 60' ' ' THR . 0.9 OUTLIER 162.12 173.06 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.56 0 O-C-N 124.567 0.804 . . . . 0.0 110.424 -179.956 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.903 ' HB ' ' O ' ' A' ' 91' ' ' THR . 1.3 pt -117.05 -139.51 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 O-C-N 124.465 1.103 . . . . 0.0 109.245 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . 0.679 ' CB ' HG22 ' A' ' 91' ' ' THR . 10.1 t-20 -113.66 152.31 30.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.585 1.178 . . . . 0.0 109.242 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.886 HG21 ' CB ' ' A' ' 58' ' ' ALA . 3.6 mt -122.24 118.51 55.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.1 . . . . 0.0 109.338 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.501 ' C ' ' CD1' ' A' ' 44' ' ' TRP . 3.2 m -149.25 161.41 42.07 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.453 1.095 . . . . 0.0 110.488 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 1.025 ' CZ3' ' HB3' ' A' ' 88' ' ' CYS . 13.2 m95 -141.55 130.27 22.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.571 1.169 . . . . 0.0 108.016 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -100.54 118.21 36.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.552 1.157 . . . . 0.0 109.27 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -99.51 155.85 17.35 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.527 1.142 . . . . 0.0 110.378 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.489 ' HB3' ' CG2' ' A' ' 85' ' ' THR . 0.3 OUTLIER -149.7 101.44 3.07 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.463 1.102 . . . . 0.0 109.301 -179.906 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.479 ' O ' ' NH1' ' A' ' 84' ' ' ARG . . . 155.32 41.63 0.02 OUTLIER Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.483 1.114 . . . . 0.0 110.9 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.45 ' C ' ' O ' ' A' ' 48' ' ' GLY . 1.7 mt-30 35.42 56.06 0.85 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.557 0.798 . . . . 0.0 110.269 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 4.5 p -87.41 132.11 33.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.461 1.101 . . . . 0.0 109.28 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . 0.457 ' O ' HG22 ' A' ' 53' ' ' VAL . 0.7 OUTLIER -69.71 152.8 44.24 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.488 1.118 . . . . 0.0 111.026 179.941 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -66.56 71.61 0.08 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.548 1.155 . . . . 0.0 109.32 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.457 HG22 ' O ' ' A' ' 51' ' ' MET . 19.6 m -128.92 -45.39 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 O-C-N 124.513 1.133 . . . . 0.0 109.355 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.576 ' CB ' ' HB2' ' A' ' 75' ' ' LEU . 8.7 p-10 -96.54 129.86 43.83 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.465 1.103 . . . . 0.0 109.335 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 1.176 HD22 ' N ' ' A' ' 56' ' ' SER . 0.0 OUTLIER -137.9 155.07 49.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.422 1.077 . . . . 0.0 109.261 179.956 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 1.176 ' N ' HD22 ' A' ' 55' ' ' LEU . 0.1 OUTLIER -125.06 129.16 49.7 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.559 1.162 . . . . 0.0 109.938 -179.868 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.482 ' O ' ' N ' ' A' ' 72' ' ' GLU . 0.3 OUTLIER -131.78 160.16 36.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.55 1.156 . . . . 0.0 110.358 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.886 ' CB ' HG21 ' A' ' 42' ' ' ILE . . . -129.82 156.0 45.07 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.43 1.081 . . . . 0.0 109.393 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.545 ' O ' ' HA ' ' A' ' 69' ' ' THR . 1.3 t -104.83 169.49 8.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.612 1.195 . . . . 0.0 109.967 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.727 HG23 ' OG1' ' A' ' 39' ' ' THR . 1.9 m -106.85 145.54 32.03 Favored 'General case' 0 C--N 1.326 -0.413 0 O-C-N 124.515 1.134 . . . . 0.0 110.382 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.517 ' OG1' ' CB ' ' A' ' 68' ' ' SER . 0.6 OUTLIER -138.44 156.25 47.74 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.501 1.126 . . . . 0.0 110.389 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -118.26 133.21 56.08 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.38 1.05 . . . . 0.0 110.312 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -138.07 63.24 1.54 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.567 1.167 . . . . 0.0 110.371 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 71.57 -106.67 1.96 Allowed Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.52 1.137 . . . . 0.0 110.977 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -95.97 -1.64 48.66 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.495 0.762 . . . . 0.0 110.333 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.703 HD23 ' CA ' ' A' ' 34' ' ' GLY . 2.6 mp -105.86 166.29 10.58 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.371 1.044 . . . . 0.0 109.395 179.853 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.915 ' HB3' ' O ' ' A' ' 36' ' ' THR . . . -133.17 118.99 19.32 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.46 1.1 . . . . 0.0 109.237 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.927 ' HA ' ' CB ' ' A' ' 33' ' ' SER . 9.4 t -95.66 176.22 6.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.41 1.069 . . . . 0.0 110.081 179.885 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.692 ' HB ' ' OH ' ' A' ' 35' ' ' TYR . 1.1 m -169.53 119.68 0.67 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.13 . . . . 0.0 110.317 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.646 ' O ' ' HA ' ' A' ' 58' ' ' ALA . 37.0 tt0 -95.66 111.79 23.65 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.427 1.08 . . . . 0.0 110.307 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.775 ' HA ' ' CB ' ' A' ' 58' ' ' ALA . 0.1 OUTLIER -94.63 139.61 30.97 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.495 1.122 . . . . 0.0 110.053 179.953 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.65 ' HA ' ' HA ' ' A' ' 29' ' ' LEU . 0.4 OUTLIER -135.64 155.67 50.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.378 1.049 . . . . 0.0 110.387 -179.965 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.903 HD22 HD12 ' A' ' 28' ' ' LEU . 9.7 tt -137.28 138.7 40.32 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.58 1.175 . . . . 0.0 109.326 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.474 ' HA ' ' O ' ' A' ' 26' ' ' ILE . 0.0 OUTLIER -136.05 118.28 15.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 110.365 -179.942 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.798 HD23 HG21 ' A' ' 26' ' ' ILE . 0.3 OUTLIER -143.43 163.84 31.96 Favored 'General case' 0 N--CA 1.45 -0.432 0 O-C-N 124.459 1.099 . . . . 0.0 109.292 179.97 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.721 ' O ' HD12 ' A' ' 75' ' ' LEU . 22.8 t -85.38 131.75 34.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 109.958 -179.908 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . 0.476 HE21 ' N ' ' A' ' 77' ' ' GLN . 0.0 OUTLIER -53.65 -30.01 41.03 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.513 1.133 . . . . 0.0 110.245 -179.973 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 7.7 tttt -53.95 -54.67 35.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.248 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 1.3 m170 -56.59 -37.77 71.09 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.479 1.112 . . . . 0.0 109.578 -179.858 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' TRP . . . . . 0.958 ' CE3' HD12 ' A' ' 26' ' ' ILE . 27.9 t-105 -61.18 -36.41 79.78 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 108.008 -1.108 . . . . 0.0 108.008 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -68.2 -35.78 78.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.427 1.079 . . . . 0.0 109.297 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . 0.587 ' O ' ' HB3' ' A' ' 83' ' ' ASP . 21.1 t -77.6 7.97 4.95 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.517 1.135 . . . . 0.0 110.008 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . 0.674 ' CB ' ' HA ' ' A' ' 104' ' ' SER . 0.5 OUTLIER 69.36 147.38 0.06 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.496 1.122 . . . . 0.0 109.275 179.953 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.566 HH21 ' CB ' ' A' ' 82' ' ' SER . 0.0 OUTLIER -178.64 175.29 1.1 Allowed 'General case' 0 C--N 1.327 -0.403 0 O-C-N 124.454 1.096 . . . . 0.0 110.338 -179.938 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.489 ' CG2' ' HB3' ' A' ' 47' ' ' ASP . 0.9 OUTLIER -135.8 110.29 8.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.13 . . . . 0.0 110.407 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.906 ' CE1' ' CZ3' ' A' ' 80' ' ' TRP . 0.0 OUTLIER -108.91 137.15 47.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.549 1.155 . . . . 0.0 111.041 179.982 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . 1.161 ' HA ' ' CB ' ' A' ' 100' ' ' SER . 0.2 OUTLIER -149.23 124.58 10.24 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.456 1.097 . . . . 0.0 110.323 -179.928 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' CYS . . . . . 1.025 ' HB3' ' CZ3' ' A' ' 44' ' ' TRP . 5.0 p -84.43 99.09 10.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.641 1.213 . . . . 0.0 108.304 179.9 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . 0.478 ' HA ' ' O ' ' A' ' 97' ' ' PHE . 11.0 tt0 -88.64 101.84 14.37 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.42 1.075 . . . . 0.0 110.312 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 1.018 HG11 HG21 ' A' ' 32' ' ' VAL . 2.7 t -93.75 125.44 46.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.438 1.086 . . . . 0.0 109.317 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.903 ' O ' ' HB ' ' A' ' 40' ' ' ILE . 0.4 OUTLIER -98.78 170.18 8.95 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.574 1.172 . . . . 0.0 110.384 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . 0.917 ' CE1' HG12 ' A' ' 90' ' ' VAL . 7.9 m-85 -145.65 157.11 44.0 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.566 1.166 . . . . 0.0 111.007 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 1.5 pp0? -46.98 -24.44 0.61 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.414 1.071 . . . . 0.0 110.3 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -158.52 36.16 0.51 Allowed Glycine 0 CA--C 1.531 1.073 0 O-C-N 124.484 1.115 . . . . 0.0 111.062 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . 0.499 ' CA ' ' HB2' ' A' ' 92' ' ' TYR . 3.6 t60 -161.11 176.44 11.31 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.564 0.803 . . . . 0.0 109.731 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 6.0 t -158.22 165.75 34.1 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.46 1.1 . . . . 0.0 110.43 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . 0.564 ' CD1' HG11 ' A' ' 9' ' ' VAL . 0.3 OUTLIER -168.31 165.71 12.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.437 1.086 . . . . 0.0 110.999 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.477 ' HG2' ' CG2' ' A' ' 87' ' ' THR . 17.5 tt0 -160.41 125.57 3.87 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.525 1.141 . . . . 0.0 110.164 -179.885 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . 0.595 ' O ' ' SG ' ' A' ' 88' ' ' CYS . 18.5 m-20 -155.4 129.23 8.62 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.501 1.126 . . . . 0.0 109.291 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . 1.161 ' CB ' ' HA ' ' A' ' 87' ' ' THR . 41.0 t -164.59 -139.88 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 0.0 110.04 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . 0.621 HG23 ' CD1' ' A' ' 86' ' ' TYR . 9.0 t -134.36 173.01 12.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 110.413 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.435 ' O ' ' HG2' ' A' ' 103' ' ' LYS . 0.0 OUTLIER -167.81 128.07 1.37 Allowed 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.484 1.115 . . . . 0.0 109.291 -179.947 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . 0.435 ' HG2' ' O ' ' A' ' 102' ' ' LYS . 2.6 mmtt -151.26 -164.85 2.1 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.481 1.113 . . . . 0.0 109.317 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . 0.674 ' HA ' ' CB ' ' A' ' 83' ' ' ASP . 9.2 t -137.95 13.1 2.89 Favored 'General case' 0 C--N 1.327 -0.397 0 O-C-N 124.486 1.116 . . . . 0.0 109.953 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . 0.417 ' C ' ' CD1' ' A' ' 80' ' ' TRP . . . . . . . . 0 C--N 1.323 -0.573 0 O-C-N 124.499 1.124 . . . . 0.0 109.365 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.956 -0.387 . . . . 0.0 109.956 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.34 -86.88 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.429 1.081 . . . . 0.0 110.331 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.507 ' O ' ' O ' ' A' ' 4' ' ' PHE . 42.6 t0 -170.58 52.75 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.5 1.125 . . . . 0.0 109.273 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.507 ' O ' ' O ' ' A' ' 3' ' ' ASP . 98.0 m-85 56.61 139.64 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.494 1.121 . . . . 0.0 110.939 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.962 HG22 ' HD2' ' A' ' 6' ' ' PRO . 0.2 OUTLIER -84.93 159.66 56.94 Favored Pre-proline 0 C--N 1.323 -0.553 0 O-C-N 124.646 1.216 . . . . 0.0 110.528 179.84 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.962 ' HD2' HG22 ' A' ' 5' ' ' THR . 18.2 Cg_endo -75.05 111.71 3.39 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.478 1.778 . . . . 0.0 111.005 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.659 ' HA ' ' HB3' ' A' ' 35' ' ' TYR . 18.4 Cg_endo -74.99 146.45 32.7 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.584 1.834 . . . . 0.0 111.056 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.524 ' O ' ' HA ' ' A' ' 32' ' ' VAL . 0.0 OUTLIER -155.58 131.09 9.69 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.554 1.159 . . . . 0.0 110.437 179.945 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.656 HG23 ' HB ' ' A' ' 32' ' ' VAL . 2.6 p -132.16 141.59 44.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 109.297 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.57 ' CB ' HD12 ' A' ' 31' ' ' LEU . 2.7 mptt -136.02 159.91 40.25 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.487 1.117 . . . . 0.0 109.237 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.495 HD13 ' HA ' ' A' ' 11' ' ' ILE . 0.1 OUTLIER -132.71 116.27 26.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 109.379 179.916 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.662 ' CD1' HD11 ' A' ' 31' ' ' LEU . 80.8 mt -122.86 133.58 54.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.564 1.165 . . . . 0.0 109.227 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.821 ' HB3' HD23 ' A' ' 28' ' ' LEU . 0.0 OUTLIER -105.6 145.23 31.26 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.505 1.128 . . . . 0.0 110.278 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.455 ' HB3' ' CB ' ' A' ' 27' ' ' GLN . 0.1 OUTLIER -133.15 76.8 1.7 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.571 1.169 . . . . 0.0 110.017 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 25.9 t -123.9 44.82 2.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 110.042 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.436 ' O ' ' C ' ' A' ' 17' ' ' ASP . 98.2 p -82.28 128.93 34.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 110.013 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.436 ' C ' ' O ' ' A' ' 16' ' ' SER . 0.0 OUTLIER -37.01 133.77 0.59 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.544 1.153 . . . . 0.0 109.333 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -156.39 -130.9 1.31 Allowed Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.396 1.06 . . . . 0.0 111.002 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -175.66 95.14 0.1 Allowed Glycine 0 CA--C 1.531 1.041 0 N-CA-C 110.961 -0.856 . . . . 0.0 110.961 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.53 ' O ' ' CB ' ' A' ' 21' ' ' HIS . . . -114.12 60.57 0.37 Allowed Glycine 0 CA--C 1.529 0.954 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . 0.85 ' O ' ' CB ' ' A' ' 22' ' ' PHE . 8.5 t60 90.41 1.76 0.18 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.523 0.778 . . . . 0.0 109.668 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.85 ' CB ' ' O ' ' A' ' 21' ' ' HIS . 21.3 t80 107.66 -42.94 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 0.0 110.972 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.734 ' CD ' ' C ' ' A' ' 21' ' ' HIS . 18.1 Cg_endo -75.05 114.27 3.98 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.465 1.771 . . . . 0.0 110.972 -179.908 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.415 ' C ' ' HB2' ' A' ' 77' ' ' GLN . 17.7 Cg_endo -75.21 151.27 38.39 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.551 1.816 . . . . 0.0 110.902 -179.88 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.891 HG22 ' HA ' ' A' ' 76' ' ' SER . 2.1 p -139.67 -168.67 2.54 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.528 1.142 . . . . 0.0 110.389 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.807 HD12 ' CE3' ' A' ' 80' ' ' TRP . 0.0 OUTLIER -132.23 133.52 60.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.624 1.202 . . . . 0.0 109.198 -179.965 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.532 ' HA ' ' O ' ' A' ' 73' ' ' LEU . 0.0 OUTLIER -117.58 84.28 2.13 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.518 1.136 . . . . 0.0 110.282 179.861 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.821 HD23 ' HB3' ' A' ' 13' ' ' GLN . 0.2 OUTLIER -100.74 108.48 20.33 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.445 1.091 . . . . 0.0 109.301 179.962 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.76 ' HA ' ' HA ' ' A' ' 72' ' ' GLU . 0.4 OUTLIER -111.73 129.17 56.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.646 1.216 . . . . 0.0 109.318 179.958 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.448 ' CB ' ' HB2' ' A' ' 71' ' ' SER . 0.1 OUTLIER -91.11 142.5 27.68 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.489 1.118 . . . . 0.0 108.325 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.662 HD11 ' CD1' ' A' ' 12' ' ' LEU . 0.0 OUTLIER -112.08 98.25 7.21 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.58 1.175 . . . . 0.0 109.323 179.89 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 1.089 HG21 HG11 ' A' ' 90' ' ' VAL . 2.7 p -128.45 120.07 51.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.524 1.14 . . . . 0.0 109.367 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.929 ' CB ' ' HA ' ' A' ' 68' ' ' SER . 10.8 p -156.48 178.8 9.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.459 1.1 . . . . 0.0 110.013 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.436 ' O ' ' HB ' ' A' ' 5' ' ' THR . . . 84.82 -44.29 3.35 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.527 1.142 . . . . 0.0 110.969 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 1.085 ' CE2' HG22 ' A' ' 32' ' ' VAL . 4.9 p90 -65.69 155.76 35.02 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.486 0.757 . . . . 0.0 110.923 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.855 ' O ' ' HB3' ' A' ' 67' ' ' ALA . 3.6 m 48.83 144.17 0.01 OUTLIER Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.392 1.058 . . . . 0.0 110.378 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.604 ' HD2' HG22 ' A' ' 36' ' ' THR . 18.6 Cg_endo -75.0 -12.78 21.52 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.443 1.76 . . . . 0.0 110.935 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.57 ' O ' ' CB ' ' A' ' 39' ' ' THR . . . -124.94 -51.88 0.18 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.4 1.062 . . . . 0.0 110.999 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.665 ' O ' HG21 ' A' ' 36' ' ' THR . 0.9 OUTLIER 161.26 172.21 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.511 0.771 . . . . 0.0 110.418 179.975 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.961 ' HB ' ' O ' ' A' ' 91' ' ' THR . 1.3 pt -116.45 -142.59 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.531 1.144 . . . . 0.0 109.344 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . 0.529 ' C ' HD12 ' A' ' 42' ' ' ILE . 0.0 OUTLIER -112.12 128.31 56.18 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.541 1.15 . . . . 0.0 109.36 179.959 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 1.127 HG21 ' HB3' ' A' ' 58' ' ' ALA . 0.5 OUTLIER -106.19 117.28 51.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.57 1.169 . . . . 0.0 109.236 -179.935 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.619 HG22 ' O ' ' A' ' 89' ' ' GLN . 8.8 t -149.42 166.54 28.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 110.398 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 1.008 ' CZ3' ' HB3' ' A' ' 88' ' ' CYS . 11.4 m95 -139.49 128.59 23.77 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 0.0 108.007 179.888 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 10.0 tp -88.5 111.6 22.02 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.471 1.107 . . . . 0.0 109.25 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -100.94 142.96 31.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 110.359 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.54 ' CB ' ' HB ' ' A' ' 85' ' ' THR . 0.1 OUTLIER -142.01 101.97 4.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.616 1.197 . . . . 0.0 109.298 -179.96 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.442 ' O ' ' HB2' ' A' ' 49' ' ' GLN . . . 147.09 -26.07 1.58 Allowed Glycine 0 CA--C 1.529 0.927 0 O-C-N 124.521 1.138 . . . . 0.0 111.102 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.442 ' HB2' ' O ' ' A' ' 48' ' ' GLY . 7.8 tp60 174.82 86.48 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.412 0.713 . . . . 0.0 110.241 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.586 ' O ' HG13 ' A' ' 50' ' ' VAL . 4.5 p -85.21 41.51 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 O-C-N 124.616 1.197 . . . . 0.0 109.286 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . 0.485 ' O ' ' N ' ' A' ' 53' ' ' VAL . 0.0 OUTLIER -91.0 167.98 11.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.411 1.069 . . . . 0.0 110.921 -179.931 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -66.21 69.88 0.06 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.44 1.087 . . . . 0.0 109.329 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.801 HG22 ' N ' ' A' ' 54' ' ' ASP . 0.7 OUTLIER -131.02 -96.39 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.384 1.052 . . . . 0.0 109.358 179.929 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.801 ' N ' HG22 ' A' ' 53' ' ' VAL . 2.6 p30 -91.98 124.49 36.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.308 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 1.146 HD22 ' N ' ' A' ' 56' ' ' SER . 0.0 OUTLIER -138.34 159.72 41.34 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.54 1.15 . . . . 0.0 109.369 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 1.146 ' N ' HD22 ' A' ' 55' ' ' LEU . 0.0 OUTLIER -125.64 134.46 51.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 109.937 -179.943 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -132.48 153.75 50.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.448 1.093 . . . . 0.0 110.341 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 1.127 ' HB3' HG21 ' A' ' 42' ' ' ILE . . . -134.94 151.81 51.18 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.487 1.117 . . . . 0.0 109.29 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.618 ' O ' ' HA ' ' A' ' 69' ' ' THR . 0.6 OUTLIER -109.72 161.44 15.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 109.996 -179.946 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 2.2 t -104.13 146.59 28.52 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.507 1.129 . . . . 0.0 110.416 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -139.56 160.83 38.94 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.505 1.128 . . . . 0.0 110.397 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 3.0 mp0 -107.84 130.68 54.97 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.54 1.15 . . . . 0.0 110.272 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 1.056 ' O ' HD12 ' A' ' 66' ' ' LEU . 20.5 mt-10 -130.68 64.42 1.56 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 110.338 179.898 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 71.31 -107.16 2.08 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.608 1.193 . . . . 0.0 111.011 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -95.84 -2.99 46.33 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.531 0.783 . . . . 0.0 110.37 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 1.056 HD12 ' O ' ' A' ' 63' ' ' GLU . 0.0 OUTLIER -110.0 174.27 5.94 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.112 . . . . 0.0 109.299 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.855 ' HB3' ' O ' ' A' ' 36' ' ' THR . . . -136.05 120.31 17.87 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.497 1.123 . . . . 0.0 109.323 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.929 ' HA ' ' CB ' ' A' ' 33' ' ' SER . 11.6 t -92.7 175.65 6.73 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.456 1.097 . . . . 0.0 110.005 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.661 ' HB ' ' OH ' ' A' ' 35' ' ' TYR . 1.2 m -170.12 117.66 0.56 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 110.38 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.65 ' O ' ' HA ' ' A' ' 58' ' ' ALA . 0.1 OUTLIER -99.4 120.32 39.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 110.329 179.902 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.92 ' CB ' ' HB2' ' A' ' 58' ' ' ALA . 1.9 m -109.71 145.94 35.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.424 1.077 . . . . 0.0 109.953 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.76 ' HA ' ' HA ' ' A' ' 29' ' ' LEU . 20.6 tt0 -136.87 160.97 37.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.398 1.061 . . . . 0.0 110.31 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.805 HD12 ' H ' ' A' ' 74' ' ' THR . 6.4 tp -138.65 140.46 38.87 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.513 1.133 . . . . 0.0 109.313 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.805 ' H ' HD12 ' A' ' 73' ' ' LEU . 0.0 OUTLIER -136.85 115.6 12.14 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.408 1.068 . . . . 0.0 110.491 -179.984 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.769 HD12 ' O ' ' A' ' 76' ' ' SER . 0.4 OUTLIER -141.91 157.0 45.49 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.453 1.096 . . . . 0.0 109.282 -179.918 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.891 ' HA ' HG22 ' A' ' 25' ' ' THR . 39.1 t -86.48 137.22 32.7 Favored 'General case' 0 C--N 1.323 -0.583 0 O-C-N 124.523 1.14 . . . . 0.0 110.06 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . 0.415 ' HB2' ' C ' ' A' ' 24' ' ' PRO . 4.4 tm0? -52.79 -33.06 47.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.435 1.085 . . . . 0.0 110.308 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -53.52 -52.18 60.45 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.53 1.144 . . . . 0.0 109.316 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 2.9 m80 -58.3 -37.13 74.45 Favored 'General case' 0 C--N 1.327 -0.4 0 O-C-N 124.533 1.146 . . . . 0.0 109.563 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' TRP . . . . . 0.897 ' CZ3' ' CE1' ' A' ' 86' ' ' TYR . 36.7 t-105 -59.64 -44.75 93.38 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.587 1.179 . . . . 0.0 108.089 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -70.02 -31.34 68.94 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.513 1.133 . . . . 0.0 109.322 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . 0.778 ' HB3' HH21 ' A' ' 84' ' ' ARG . 48.4 t -78.18 9.28 3.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.427 1.079 . . . . 0.0 110.004 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . 0.522 ' HB2' ' CB ' ' A' ' 104' ' ' SER . 0.2 OUTLIER 68.4 147.18 0.05 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.476 1.11 . . . . 0.0 109.237 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.778 HH21 ' HB3' ' A' ' 82' ' ' SER . 0.1 OUTLIER 178.34 175.8 0.53 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.447 1.092 . . . . 0.0 110.267 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.54 ' HB ' ' CB ' ' A' ' 47' ' ' ASP . 0.9 OUTLIER -136.92 102.26 4.82 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.529 1.143 . . . . 0.0 110.451 179.938 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.897 ' CE1' ' CZ3' ' A' ' 80' ' ' TRP . 0.0 OUTLIER -108.31 123.89 49.5 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.482 1.114 . . . . 0.0 110.993 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . 1.435 ' HA ' ' CB ' ' A' ' 100' ' ' SER . 50.6 m -144.5 131.82 20.76 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.434 1.084 . . . . 0.0 110.413 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' CYS . . . . . 1.008 ' HB3' ' CZ3' ' A' ' 44' ' ' TRP . 13.5 p -89.5 100.22 13.06 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 0.0 108.386 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . 0.619 ' O ' HG22 ' A' ' 43' ' ' THR . 34.6 tt0 -91.47 109.07 20.35 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.594 1.184 . . . . 0.0 110.358 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 1.089 HG11 HG21 ' A' ' 32' ' ' VAL . 2.8 t -100.87 124.86 54.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.53 1.144 . . . . 0.0 109.364 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.961 ' O ' ' HB ' ' A' ' 40' ' ' ILE . 5.7 m -105.37 165.69 10.95 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.493 1.121 . . . . 0.0 110.415 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . 0.958 ' CE1' HG12 ' A' ' 90' ' ' VAL . 3.1 m-85 -140.55 156.59 46.26 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.47 1.106 . . . . 0.0 110.881 -179.896 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 1.1 pt20 -50.48 -20.98 1.29 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.643 1.214 . . . . 0.0 110.332 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -157.23 34.54 0.55 Allowed Glycine 0 CA--C 1.532 1.105 0 O-C-N 124.45 1.094 . . . . 0.0 110.923 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . 0.51 ' CA ' ' HB2' ' A' ' 92' ' ' TYR . 4.5 t60 -162.0 178.25 9.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.554 0.797 . . . . 0.0 109.576 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.41 ' HA ' ' HA ' ' A' ' 91' ' ' THR . 5.3 t -160.12 166.2 30.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.565 1.166 . . . . 0.0 110.401 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . 0.406 ' HD2' ' CE1' ' A' ' 92' ' ' TYR . 4.3 m-85 -165.56 160.53 17.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 110.933 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.481 ' CG ' ' HB2' ' A' ' 89' ' ' GLN . 1.1 tt0 -158.78 119.77 3.34 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.37 1.044 . . . . 0.0 110.303 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . 0.49 ' O ' ' SG ' ' A' ' 88' ' ' CYS . 7.0 m-20 -151.52 127.5 10.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.105 . . . . 0.0 109.271 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . 1.435 ' CB ' ' HA ' ' A' ' 87' ' ' THR . 2.0 t -171.23 -150.77 0.07 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.561 1.163 . . . . 0.0 109.99 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . 0.678 HG23 ' CD1' ' A' ' 86' ' ' TYR . 10.0 t -136.28 175.52 9.53 Favored 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.37 1.044 . . . . 0.0 110.446 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -170.92 155.73 4.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 0.0 109.332 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . 0.638 ' O ' ' N ' ' A' ' 105' ' ' ALA . 0.0 OUTLIER -148.28 156.77 42.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.535 1.147 . . . . 0.0 109.344 179.92 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . 0.552 ' N ' ' HG3' ' A' ' 103' ' ' LYS . 5.8 t 30.39 33.17 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.945 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . 0.638 ' N ' ' O ' ' A' ' 103' ' ' LYS . . . . . . . . 0 C--N 1.323 -0.552 0 O-C-N 124.582 1.176 . . . . 0.0 109.207 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . 0.499 ' O ' ' CB ' ' A' ' 2' ' ' ARG . 8.0 p . . . . . 0 N--CA 1.452 -0.35 0 N-CA-C 109.991 -0.374 . . . . 0.0 109.991 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . 0.499 ' CB ' ' O ' ' A' ' 1' ' ' SER . 3.0 ttt85 83.69 -148.63 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.567 0 O-C-N 124.524 1.14 . . . . 0.0 110.322 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.526 ' C ' ' CG ' ' A' ' 4' ' ' PHE . 32.6 t0 -153.33 173.03 16.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.46 1.1 . . . . 0.0 109.308 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.526 ' CG ' ' C ' ' A' ' 3' ' ' ASP . 1.6 m-85 74.35 156.85 0.18 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.127 . . . . 0.0 110.98 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.702 HG21 ' HG ' ' A' ' 66' ' ' LEU . 0.1 OUTLIER -86.47 179.52 1.78 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 110.427 179.961 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.596 ' CD ' HG22 ' A' ' 5' ' ' THR . 18.5 Cg_endo -74.87 113.27 3.75 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.524 1.802 . . . . 0.0 111.078 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.62 ' HA ' ' HB3' ' A' ' 35' ' ' TYR . 18.4 Cg_endo -74.99 154.67 42.7 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.531 1.806 . . . . 0.0 110.983 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.52 ' O ' ' HA ' ' A' ' 32' ' ' VAL . 0.0 OUTLIER -156.32 126.72 6.64 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.545 1.153 . . . . 0.0 110.442 179.966 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.736 HG21 ' CE1' ' A' ' 97' ' ' PHE . 6.5 p -134.82 133.43 54.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.558 1.161 . . . . 0.0 109.276 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.629 ' HB2' HD11 ' A' ' 31' ' ' LEU . 0.3 OUTLIER -140.28 152.58 46.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.443 1.09 . . . . 0.0 109.34 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.569 ' CG1' ' HA ' ' A' ' 100' ' ' SER . 0.4 OUTLIER -127.91 109.94 20.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.481 1.113 . . . . 0.0 109.368 179.917 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.91 HD22 ' C ' ' A' ' 12' ' ' LEU . 0.0 OUTLIER -111.15 145.48 38.56 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.417 1.073 . . . . 0.0 109.252 -179.969 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.627 ' N ' HD22 ' A' ' 12' ' ' LEU . 0.0 OUTLIER -104.21 143.64 32.67 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.403 1.065 . . . . 0.0 110.384 179.941 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.416 ' HB3' ' CB ' ' A' ' 27' ' ' GLN . 0.1 OUTLIER -132.39 74.02 1.56 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 110.07 -179.97 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.414 ' OG ' ' N ' ' A' ' 16' ' ' SER . 96.2 p -113.73 -82.12 0.6 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.439 1.087 . . . . 0.0 110.127 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.414 ' N ' ' OG ' ' A' ' 15' ' ' SER . 82.5 p -81.78 63.8 6.2 Favored 'General case' 0 C--N 1.323 -0.562 0 O-C-N 124.483 1.115 . . . . 0.0 110.102 179.851 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.405 ' C ' ' O ' ' A' ' 16' ' ' SER . 33.5 t0 -40.28 158.22 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.115 . . . . 0.0 109.27 -179.909 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -56.22 -98.25 0.01 OUTLIER Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.478 1.111 . . . . 0.0 110.999 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -93.76 64.96 1.76 Allowed Glycine 0 CA--C 1.531 1.084 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -148.2 -90.43 0.09 OUTLIER Glycine 0 CA--C 1.53 1.02 0 N-CA-C 110.89 -0.884 . . . . 0.0 110.89 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 68.5 122.1 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.519 0.776 . . . . 0.0 109.56 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.613 ' CB ' ' HD3' ' A' ' 23' ' ' PRO . 0.1 OUTLIER -177.74 -55.21 0.0 OUTLIER Pre-proline 0 C--N 1.327 -0.413 0 O-C-N 124.438 1.087 . . . . 0.0 110.872 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.613 ' HD3' ' CB ' ' A' ' 22' ' ' PHE . 18.4 Cg_endo -74.93 113.52 3.81 Favored 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.52 1.8 . . . . 0.0 111.016 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.45 ' O ' ' HB2' ' A' ' 77' ' ' GLN . 18.4 Cg_endo -75.0 -10.96 21.44 Favored 'Trans proline' 0 C--N 1.361 1.216 0 O-C-N 124.427 1.751 . . . . 0.0 110.996 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.433 ' HB ' ' O ' ' A' ' 75' ' ' LEU . 4.6 p -80.74 -159.1 0.22 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.14 . . . . 0.0 110.422 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 1.106 HG21 HD23 ' A' ' 75' ' ' LEU . 0.7 OUTLIER -133.58 130.53 56.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.472 1.107 . . . . 0.0 109.248 -179.98 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.416 ' CB ' ' HB3' ' A' ' 14' ' ' SER . 2.9 mt-30 -114.05 84.08 1.98 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.548 1.155 . . . . 0.0 110.321 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.857 ' C ' HD13 ' A' ' 29' ' ' LEU . 4.2 mt -96.46 105.28 17.34 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.545 1.153 . . . . 0.0 109.212 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.866 HD13 ' N ' ' A' ' 29' ' ' LEU . 0.0 OUTLIER -105.76 124.45 49.58 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.448 1.092 . . . . 0.0 109.326 179.937 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.475 ' CB ' ' HB2' ' A' ' 71' ' ' SER . 0.5 OUTLIER -94.85 116.66 29.0 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.57 1.169 . . . . 0.0 108.291 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.629 HD11 ' HB2' ' A' ' 10' ' ' LYS . 3.2 pp -89.64 109.9 20.82 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 109.294 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 1.178 HG22 ' CE2' ' A' ' 35' ' ' TYR . 2.4 p -136.75 108.64 6.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.416 1.072 . . . . 0.0 109.325 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.883 ' CB ' ' HA ' ' A' ' 68' ' ' SER . 12.9 p -147.72 -177.6 5.81 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.521 1.138 . . . . 0.0 109.989 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.632 ' HA2' ' HB3' ' A' ' 66' ' ' LEU . . . 80.81 -47.66 3.57 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.581 1.175 . . . . 0.0 111.06 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 1.178 ' CE2' HG22 ' A' ' 32' ' ' VAL . 11.0 p90 -64.32 154.75 34.38 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.388 0.699 . . . . 0.0 111.009 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.753 HG21 ' O ' ' A' ' 39' ' ' THR . 3.8 m 46.98 139.35 0.0 OUTLIER Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.139 . . . . 0.0 110.405 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.446 ' HD3' ' HA ' ' A' ' 36' ' ' THR . 18.1 Cg_endo -74.99 -15.42 20.78 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.516 1.798 . . . . 0.0 110.949 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.648 ' O ' HG22 ' A' ' 39' ' ' THR . . . -124.47 3.79 8.79 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.507 1.129 . . . . 0.0 110.973 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.753 ' O ' HG21 ' A' ' 36' ' ' THR . 0.6 OUTLIER 92.23 -167.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.567 0.804 . . . . 0.0 110.404 -179.969 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.916 ' HB ' ' O ' ' A' ' 91' ' ' THR . 0.8 OUTLIER -130.67 -141.47 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 109.182 -179.851 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . 0.906 ' C ' HD13 ' A' ' 42' ' ' ILE . 46.4 t30 -116.22 162.98 16.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 0.0 109.225 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.906 HD13 ' C ' ' A' ' 41' ' ' ASN . 1.1 mm -115.34 133.12 62.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.546 1.154 . . . . 0.0 109.341 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.586 ' C ' ' CD1' ' A' ' 44' ' ' TRP . 1.9 m -154.81 158.26 39.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 110.353 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 1.113 ' CZ3' ' HB3' ' A' ' 88' ' ' CYS . 20.1 m95 -149.05 130.46 14.75 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.61 1.194 . . . . 0.0 107.949 -179.87 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.424 ' CB ' ' OE1' ' A' ' 98' ' ' GLU . 0.2 OUTLIER -100.51 110.44 22.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.279 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.4 ' HA ' ' O ' ' A' ' 85' ' ' THR . 0.0 OUTLIER -100.15 101.25 12.25 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.55 1.156 . . . . 0.0 110.254 179.972 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.516 ' O ' ' HA ' ' A' ' 84' ' ' ARG . 9.8 t0 -83.93 81.6 8.71 Favored 'General case' 0 C--N 1.327 -0.408 0 O-C-N 124.401 1.063 . . . . 0.0 109.365 179.901 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.501 ' O ' ' CB ' ' A' ' 49' ' ' GLN . . . 173.22 -39.88 0.15 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.518 1.136 . . . . 0.0 110.988 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.501 ' CB ' ' O ' ' A' ' 48' ' ' GLY . 1.9 mt-30 161.08 104.33 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.533 0.784 . . . . 0.0 110.345 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.674 ' O ' HG13 ' A' ' 50' ' ' VAL . 3.6 p -85.39 44.63 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 109.232 -179.865 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . 0.499 ' O ' ' N ' ' A' ' 53' ' ' VAL . 0.0 OUTLIER -77.02 172.14 13.67 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.621 1.201 . . . . 0.0 110.961 -179.957 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -66.02 69.51 0.05 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.421 1.076 . . . . 0.0 109.236 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.766 HG22 ' N ' ' A' ' 54' ' ' ASP . 1.4 p -132.73 -101.41 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.556 1.16 . . . . 0.0 109.401 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.766 ' N ' HG22 ' A' ' 53' ' ' VAL . 4.1 m-20 -93.46 134.2 35.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.147 . . . . 0.0 109.309 179.892 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 1.099 HD22 ' N ' ' A' ' 56' ' ' SER . 0.0 OUTLIER -141.96 160.33 40.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.433 1.083 . . . . 0.0 109.249 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 1.099 ' N ' HD22 ' A' ' 55' ' ' LEU . 0.2 OUTLIER -129.99 132.96 46.48 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.476 1.11 . . . . 0.0 109.92 -179.965 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -130.79 157.83 41.8 Favored 'General case' 0 C--N 1.327 -0.397 0 O-C-N 124.518 1.136 . . . . 0.0 110.358 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.811 ' HB3' ' CG2' ' A' ' 42' ' ' ILE . . . -134.14 150.5 51.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.42 1.075 . . . . 0.0 109.268 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.609 ' O ' ' HA ' ' A' ' 69' ' ' THR . 0.5 OUTLIER -108.65 151.83 25.62 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.451 1.094 . . . . 0.0 110.022 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.55 ' HB ' HG21 ' A' ' 39' ' ' THR . 1.3 t -105.2 142.38 35.06 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.439 1.087 . . . . 0.0 110.474 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.722 ' OG1' ' O ' ' A' ' 68' ' ' SER . 0.6 OUTLIER -142.75 158.12 43.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.55 1.156 . . . . 0.0 110.341 -179.903 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 5.4 tt0 -95.25 130.41 42.01 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.498 1.124 . . . . 0.0 110.312 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -129.27 63.39 1.5 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.471 1.107 . . . . 0.0 110.269 -179.914 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 73.69 -107.2 2.18 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.459 1.1 . . . . 0.0 111.006 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -100.21 0.01 39.57 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.437 0.728 . . . . 0.0 110.311 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.702 ' HG ' HG21 ' A' ' 5' ' ' THR . 5.7 mp -114.27 -179.38 3.62 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.489 1.118 . . . . 0.0 109.324 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.728 ' HB3' ' O ' ' A' ' 36' ' ' THR . . . -133.98 121.65 21.94 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.131 . . . . 0.0 109.333 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.883 ' HA ' ' CB ' ' A' ' 33' ' ' SER . 23.0 t -104.2 119.81 39.76 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.549 1.156 . . . . 0.0 109.995 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.714 ' HB ' ' OH ' ' A' ' 35' ' ' TYR . 0.8 OUTLIER -122.76 114.67 20.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.602 1.189 . . . . 0.0 110.383 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.589 ' O ' ' HA ' ' A' ' 58' ' ' ALA . 29.8 pt20 -91.66 127.72 37.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.451 1.095 . . . . 0.0 110.358 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.738 ' CB ' ' HB2' ' A' ' 58' ' ' ALA . 0.8 OUTLIER -111.05 143.07 42.34 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.541 1.151 . . . . 0.0 110.003 179.979 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.648 ' HA ' ' HA ' ' A' ' 29' ' ' LEU . 0.9 OUTLIER -134.11 152.93 52.06 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.487 1.117 . . . . 0.0 110.306 -179.956 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.822 HD13 HD12 ' A' ' 28' ' ' LEU . 6.3 tt -134.44 139.03 45.24 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.564 1.165 . . . . 0.0 109.248 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.773 ' N ' HD23 ' A' ' 73' ' ' LEU . 0.0 OUTLIER -134.32 114.93 13.5 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.446 1.091 . . . . 0.0 110.386 179.94 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 1.106 HD23 HG21 ' A' ' 26' ' ' ILE . 0.1 OUTLIER -142.31 136.77 30.05 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.392 1.058 . . . . 0.0 109.333 -179.971 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.655 ' O ' HD12 ' A' ' 75' ' ' LEU . 0.4 OUTLIER -71.72 164.33 26.14 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 110.047 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . 0.45 ' HB2' ' O ' ' A' ' 24' ' ' PRO . 0.0 OUTLIER -69.85 -39.56 76.33 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.398 1.061 . . . . 0.0 110.303 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 24.6 tttt -51.99 -54.45 29.72 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.486 1.116 . . . . 0.0 109.301 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . 0.672 ' CE1' HG23 ' A' ' 53' ' ' VAL . 7.7 m170 -59.81 -34.73 73.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 109.579 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' TRP . . . . . 0.902 ' CZ3' ' CE1' ' A' ' 86' ' ' TYR . 41.7 t-105 -62.44 -43.85 97.82 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.532 1.145 . . . . 0.0 107.978 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 1.2 tp -67.7 -22.0 65.29 Favored 'General case' 0 C--N 1.323 -0.568 0 O-C-N 124.515 1.134 . . . . 0.0 109.312 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . 0.851 ' HB3' HH21 ' A' ' 84' ' ' ARG . 0.3 OUTLIER -74.35 -9.68 58.83 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.482 1.114 . . . . 0.0 109.88 -179.934 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . 0.663 ' O ' ' CB ' ' A' ' 84' ' ' ARG . 0.3 OUTLIER 87.22 -158.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.583 1.177 . . . . 0.0 109.191 179.961 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.851 HH21 ' HB3' ' A' ' 82' ' ' SER . 5.8 ptp180 100.63 168.74 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.488 1.117 . . . . 0.0 110.241 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.893 HG23 ' HB3' ' A' ' 102' ' ' LYS . 45.9 m -121.74 112.61 18.61 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.438 1.086 . . . . 0.0 110.4 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.902 ' CE1' ' CZ3' ' A' ' 80' ' ' TRP . 0.0 OUTLIER -101.88 92.97 5.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.593 1.183 . . . . 0.0 111.015 -179.968 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . 1.232 ' HA ' ' CB ' ' A' ' 100' ' ' SER . 0.2 OUTLIER -113.29 139.61 48.69 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 110.449 179.955 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' CYS . . . . . 1.113 ' HB3' ' CZ3' ' A' ' 44' ' ' TRP . 28.1 p -90.17 104.16 16.76 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.496 1.123 . . . . 0.0 108.283 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . 0.494 ' H ' ' HA ' ' A' ' 44' ' ' TRP . 3.8 tt0 -93.22 106.25 18.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.56 1.163 . . . . 0.0 110.36 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.909 HG11 HG21 ' A' ' 32' ' ' VAL . 3.4 t -96.4 133.05 39.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.521 1.138 . . . . 0.0 109.342 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.916 ' O ' ' HB ' ' A' ' 40' ' ' ILE . 0.8 OUTLIER -103.7 163.64 12.19 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.482 1.114 . . . . 0.0 110.396 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . 0.817 ' CE1' HG12 ' A' ' 90' ' ' VAL . 27.1 m-85 -140.22 158.61 43.77 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.13 . . . . 0.0 111.038 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -46.56 -27.39 1.11 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.373 1.046 . . . . 0.0 110.261 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -157.11 36.19 0.56 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.408 1.068 . . . . 0.0 111.066 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . 0.461 ' CA ' ' HB2' ' A' ' 92' ' ' TYR . 5.8 t60 -158.99 171.34 20.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.559 0.799 . . . . 0.0 109.505 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 8.4 t -161.48 161.18 29.97 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.563 1.165 . . . . 0.0 110.419 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . 0.736 ' CE1' HG21 ' A' ' 9' ' ' VAL . 0.0 OUTLIER -169.72 163.48 9.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 0.0 110.982 -179.944 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.448 ' HG2' ' CG2' ' A' ' 87' ' ' THR . 32.2 tt0 -155.58 126.52 7.02 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.446 1.091 . . . . 0.0 110.223 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . 0.612 ' O ' ' SG ' ' A' ' 88' ' ' CYS . 1.0 OUTLIER -156.48 134.04 10.85 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.651 1.22 . . . . 0.0 109.268 179.986 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . 1.232 ' CB ' ' HA ' ' A' ' 87' ' ' THR . 3.3 t -171.54 -136.69 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.514 1.134 . . . . 0.0 109.974 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . 0.759 HG23 ' CD1' ' A' ' 86' ' ' TYR . 8.7 t -133.78 178.5 6.89 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 110.374 -179.915 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.893 ' HB3' HG23 ' A' ' 85' ' ' THR . 0.0 OUTLIER -170.9 160.18 6.57 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 124.558 1.162 . . . . 0.0 109.261 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . 0.678 ' O ' ' N ' ' A' ' 105' ' ' ALA . 0.4 OUTLIER -148.38 172.11 14.95 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.527 1.142 . . . . 0.0 109.323 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . 0.622 ' CB ' ' HB2' ' A' ' 83' ' ' ASP . 2.9 t 27.38 35.99 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.494 1.121 . . . . 0.0 110.013 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . 0.678 ' N ' ' O ' ' A' ' 103' ' ' LYS . . . . . . . . 0 C--N 1.326 -0.437 0 O-C-N 124.568 1.167 . . . . 0.0 109.249 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.992 -0.373 . . . . 0.0 109.992 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 9.7 ptt180 -165.45 82.28 0.34 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.504 1.127 . . . . 0.0 110.267 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -154.93 173.71 16.15 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.547 1.155 . . . . 0.0 109.228 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.595 ' CD1' ' C ' ' A' ' 4' ' ' PHE . 0.0 OUTLIER 62.76 168.66 0.13 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 0.0 110.989 -179.899 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.702 HG22 ' CD ' ' A' ' 6' ' ' PRO . 0.2 OUTLIER -144.07 -176.56 0.56 Allowed Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.574 1.171 . . . . 0.0 110.435 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.702 ' CD ' HG22 ' A' ' 5' ' ' THR . 18.8 Cg_endo -74.9 115.0 4.16 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.549 1.815 . . . . 0.0 110.994 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.573 ' HA ' ' HB3' ' A' ' 35' ' ' TYR . 18.2 Cg_endo -74.99 158.26 42.36 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.476 1.777 . . . . 0.0 111.072 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.513 ' O ' ' HA ' ' A' ' 32' ' ' VAL . 0.0 OUTLIER -149.24 129.35 13.58 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.477 1.11 . . . . 0.0 110.411 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.766 HG23 ' HB ' ' A' ' 32' ' ' VAL . 2.2 p -131.64 143.96 38.84 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 O-C-N 124.47 1.106 . . . . 0.0 109.33 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.595 ' N ' ' O ' ' A' ' 31' ' ' LEU . 5.8 mttt -134.85 156.07 49.55 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.487 1.117 . . . . 0.0 109.272 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.813 HD11 HD22 ' A' ' 28' ' ' LEU . 0.0 OUTLIER -128.44 113.71 30.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.507 1.13 . . . . 0.0 109.241 -179.9 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.921 HD12 HD11 ' A' ' 31' ' ' LEU . 95.3 mt -117.8 134.45 54.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.451 1.095 . . . . 0.0 109.299 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -105.32 143.7 33.13 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.425 1.078 . . . . 0.0 110.331 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.413 ' HB2' ' O ' ' A' ' 27' ' ' GLN . 0.1 OUTLIER -132.14 75.58 1.65 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.4 1.062 . . . . 0.0 110.041 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 91.2 p -111.18 176.0 5.2 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 110.031 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.411 ' O ' ' C ' ' A' ' 17' ' ' ASP . 10.4 p -158.6 114.47 2.67 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.506 1.129 . . . . 0.0 109.931 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.411 ' C ' ' O ' ' A' ' 16' ' ' SER . 11.9 t70 -39.9 158.73 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.483 1.115 . . . . 0.0 109.289 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -70.01 155.0 53.08 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.544 1.153 . . . . 0.0 110.874 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -81.39 -36.89 19.22 Favored Glycine 0 CA--C 1.53 0.997 0 N-CA-C 111.119 -0.792 . . . . 0.0 111.119 179.864 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -169.41 -48.49 0.03 OUTLIER Glycine 0 CA--C 1.53 0.972 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 22.3 m-70 -84.01 -53.39 5.59 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.421 0.718 . . . . 0.0 109.519 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.515 ' CD2' ' O ' ' A' ' 23' ' ' PRO . 4.6 p90 -176.42 163.87 1.74 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.552 1.157 . . . . 0.0 110.98 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.515 ' O ' ' CD2' ' A' ' 22' ' ' PHE . 18.3 Cg_endo -75.09 166.93 28.07 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.548 1.815 . . . . 0.0 110.981 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.401 ' O ' ' HB2' ' A' ' 77' ' ' GLN . 18.4 Cg_endo -74.95 -91.81 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.511 1.795 . . . . 0.0 111.031 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.616 HG22 ' HA ' ' A' ' 76' ' ' SER . 37.4 p -140.37 -158.87 0.9 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.579 1.174 . . . . 0.0 110.395 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.898 HD12 ' CZ3' ' A' ' 80' ' ' TRP . 0.1 OUTLIER -132.24 129.16 59.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.451 1.094 . . . . 0.0 109.357 -179.97 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.551 ' HA ' ' O ' ' A' ' 73' ' ' LEU . 1.1 mt-30 -113.81 88.2 2.79 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.417 1.073 . . . . 0.0 110.287 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.813 HD22 HD11 ' A' ' 11' ' ' ILE . 4.8 mt -94.34 100.36 12.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.399 1.062 . . . . 0.0 109.229 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.69 ' HA ' ' HA ' ' A' ' 72' ' ' GLU . 10.6 mp -98.91 120.74 39.86 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.524 1.14 . . . . 0.0 109.272 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.587 ' HB2' ' CZ2' ' A' ' 44' ' ' TRP . 0.0 OUTLIER -93.78 137.01 33.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 108.345 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.921 HD11 HD12 ' A' ' 12' ' ' LEU . 1.2 mp -109.79 108.14 18.37 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.571 1.169 . . . . 0.0 109.299 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 1.061 HG22 ' CE2' ' A' ' 35' ' ' TYR . 3.6 p -132.28 117.75 33.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.353 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.899 ' CB ' ' HA ' ' A' ' 68' ' ' SER . 20.3 p -152.61 -177.03 5.98 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.562 1.164 . . . . 0.0 110.046 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.524 ' CA ' HD23 ' A' ' 66' ' ' LEU . . . 81.42 -47.37 3.6 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.41 1.069 . . . . 0.0 110.987 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 1.061 ' CE2' HG22 ' A' ' 32' ' ' VAL . 5.3 p90 -62.76 158.1 19.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.461 0.742 . . . . 0.0 110.931 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.959 ' O ' ' HB3' ' A' ' 67' ' ' ALA . 4.0 m 45.32 142.71 0.0 OUTLIER Pre-proline 0 C--N 1.326 -0.421 0 O-C-N 124.49 1.119 . . . . 0.0 110.38 -179.912 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.539 ' HD2' HG22 ' A' ' 36' ' ' THR . 18.4 Cg_endo -75.09 -12.03 21.33 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.453 1.765 . . . . 0.0 111.035 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.533 ' O ' ' CB ' ' A' ' 39' ' ' THR . . . -124.03 -53.82 0.19 Allowed Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.502 1.126 . . . . 0.0 111.017 179.891 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.725 ' O ' HG21 ' A' ' 36' ' ' THR . 0.9 OUTLIER 164.34 173.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.453 0.737 . . . . 0.0 110.457 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.928 ' HB ' ' O ' ' A' ' 91' ' ' THR . 1.7 pt -121.55 -141.95 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.464 1.103 . . . . 0.0 109.282 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . 0.729 ' CB ' HG22 ' A' ' 91' ' ' THR . 8.6 t-20 -112.83 154.96 25.46 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.102 . . . . 0.0 109.3 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.907 HG21 ' HB3' ' A' ' 58' ' ' ALA . 3.4 mt -126.02 116.9 47.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.552 1.158 . . . . 0.0 109.261 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.533 ' C ' ' CD1' ' A' ' 44' ' ' TRP . 1.7 m -149.25 157.75 43.61 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.512 1.133 . . . . 0.0 110.429 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.983 ' CZ3' ' HB3' ' A' ' 88' ' ' CYS . 7.8 m95 -139.76 129.96 25.21 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.538 1.149 . . . . 0.0 108.009 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.401 ' HB2' ' OE2' ' A' ' 98' ' ' GLU . 0.2 OUTLIER -95.6 118.0 31.49 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.39 1.056 . . . . 0.0 109.29 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.662 ' OE1' HG12 ' A' ' 50' ' ' VAL . 4.6 tm-20 -99.08 146.34 26.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 110.331 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.508 ' CB ' ' HB ' ' A' ' 85' ' ' THR . 0.1 OUTLIER -146.94 96.89 2.82 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.426 1.079 . . . . 0.0 109.264 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.502 ' O ' ' C ' ' A' ' 49' ' ' GLN . . . 161.41 38.03 0.02 OUTLIER Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.484 1.115 . . . . 0.0 111.004 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.502 ' C ' ' O ' ' A' ' 48' ' ' GLY . 0.0 OUTLIER 30.09 68.19 0.1 Allowed 'General case' 0 C--N 1.327 -0.388 0 O-C-N 124.483 0.755 . . . . 0.0 110.389 -179.939 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.662 HG12 ' OE1' ' A' ' 46' ' ' GLU . 4.1 p -86.84 114.65 26.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.527 1.142 . . . . 0.0 109.238 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . 0.406 ' O ' ' O ' ' A' ' 52' ' ' ASP . 0.0 OUTLIER -86.06 -33.34 21.01 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.433 1.083 . . . . 0.0 111.004 179.941 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.508 ' OD1' HG22 ' A' ' 50' ' ' VAL . 5.5 p-10 -59.97 -151.44 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 109.224 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.483 ' N ' ' CG ' ' A' ' 52' ' ' ASP . 0.0 OUTLIER -116.43 72.6 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.44 1.088 . . . . 0.0 109.242 -179.9 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.513 ' CB ' ' HB2' ' A' ' 75' ' ' LEU . 47.8 t0 -97.25 84.88 3.56 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.451 1.094 . . . . 0.0 109.331 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 1.115 HD22 ' N ' ' A' ' 56' ' ' SER . 0.0 OUTLIER -134.2 152.58 51.9 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.449 1.093 . . . . 0.0 109.277 -179.942 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 1.115 ' N ' HD22 ' A' ' 55' ' ' LEU . 0.0 OUTLIER -129.53 135.68 48.9 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.11 . . . . 0.0 109.947 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.416 ' O ' ' N ' ' A' ' 72' ' ' GLU . 0.2 OUTLIER -129.02 153.25 47.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.603 1.189 . . . . 0.0 110.428 179.929 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.907 ' HB3' HG21 ' A' ' 42' ' ' ILE . . . -133.45 155.04 50.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 109.259 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.583 ' O ' ' HA ' ' A' ' 69' ' ' THR . 8.6 t -109.51 170.45 8.05 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 110.016 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 2.4 t -104.09 146.97 27.96 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.555 1.159 . . . . 0.0 110.378 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.532 ' HG1' ' CB ' ' A' ' 68' ' ' SER . 0.6 OUTLIER -137.4 158.95 43.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 110.403 -179.932 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 11.6 mt-30 -116.32 131.99 56.79 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.596 1.185 . . . . 0.0 110.315 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -137.04 63.99 1.55 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.424 1.078 . . . . 0.0 110.305 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 72.24 -108.47 2.5 Favored Glycine 0 CA--C 1.528 0.867 0 O-C-N 124.608 1.193 . . . . 0.0 111.008 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -94.83 -2.07 51.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.363 0.684 . . . . 0.0 110.317 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.524 HD23 ' CA ' ' A' ' 34' ' ' GLY . 2.4 mp -108.26 169.04 8.88 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.42 1.075 . . . . 0.0 109.322 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.959 ' HB3' ' O ' ' A' ' 36' ' ' THR . . . -134.76 121.21 20.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 109.33 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.899 ' HA ' ' CB ' ' A' ' 33' ' ' SER . 11.7 t -96.43 179.9 4.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.619 1.199 . . . . 0.0 110.078 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.665 ' HB ' ' OH ' ' A' ' 35' ' ' TYR . 1.0 OUTLIER -170.9 122.48 0.59 Allowed 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.407 1.067 . . . . 0.0 110.311 179.894 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.768 ' O ' ' HA ' ' A' ' 58' ' ' ALA . 46.7 mt-30 -97.92 117.26 31.85 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 110.329 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.814 ' CB ' ' HB2' ' A' ' 58' ' ' ALA . 0.7 OUTLIER -106.54 146.33 30.76 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.434 1.084 . . . . 0.0 109.938 -179.957 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.69 ' HA ' ' HA ' ' A' ' 29' ' ' LEU . 0.2 OUTLIER -138.62 151.33 47.15 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.495 1.122 . . . . 0.0 110.333 179.926 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.773 HD22 ' HB2' ' A' ' 28' ' ' LEU . 8.9 tt -131.14 140.82 50.03 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.391 1.057 . . . . 0.0 109.265 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -140.48 117.72 11.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.439 1.087 . . . . 0.0 110.43 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.707 HD21 ' CE2' ' A' ' 86' ' ' TYR . 0.2 OUTLIER -149.91 146.66 27.2 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.511 1.132 . . . . 0.0 109.233 -179.965 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.616 ' HA ' HG22 ' A' ' 25' ' ' THR . 0.2 OUTLIER -63.76 138.39 58.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 110.075 179.942 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . 0.432 ' OE1' ' CG ' ' A' ' 23' ' ' PRO . 2.0 mm-40 -67.01 -33.83 76.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.115 . . . . 0.0 110.328 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.18 -53.12 47.17 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 0.0 109.317 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . 0.53 ' ND1' ' CZ ' ' A' ' 84' ' ' ARG . 0.5 OUTLIER -60.4 -38.16 83.1 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.609 179.955 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' TRP . . . . . 0.898 ' CZ3' HD12 ' A' ' 26' ' ' ILE . 5.2 t-105 -59.16 -40.29 85.1 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.051 -1.092 . . . . 0.0 108.051 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -68.92 -31.76 70.89 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.444 1.09 . . . . 0.0 109.317 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . 0.638 ' O ' ' HB2' ' A' ' 83' ' ' ASP . 47.4 m -77.22 5.46 8.41 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.49 1.119 . . . . 0.0 110.042 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . 0.698 ' CG ' ' CB ' ' A' ' 104' ' ' SER . 26.0 m-20 84.07 148.17 0.07 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.125 . . . . 0.0 109.346 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.53 ' CZ ' ' ND1' ' A' ' 79' ' ' HIS . 0.0 OUTLIER 179.66 170.67 1.07 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.613 1.196 . . . . 0.0 110.289 -179.906 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.508 ' HB ' ' CB ' ' A' ' 47' ' ' ASP . 1.7 m -138.27 103.12 4.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.593 1.183 . . . . 0.0 110.299 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.857 ' CZ ' ' CE3' ' A' ' 80' ' ' TRP . 0.0 OUTLIER -107.78 138.09 44.63 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.473 1.108 . . . . 0.0 111.126 179.89 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . 1.245 ' HA ' ' CB ' ' A' ' 100' ' ' SER . 0.2 OUTLIER -149.44 124.43 10.0 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.13 . . . . 0.0 110.373 -179.927 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' CYS . . . . . 0.983 ' HB3' ' CZ3' ' A' ' 44' ' ' TRP . 8.9 p -84.79 97.01 9.46 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.457 1.098 . . . . 0.0 108.398 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . 0.529 ' CA ' ' HG3' ' A' ' 98' ' ' GLU . 1.6 tt0 -88.69 101.16 13.71 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.454 1.096 . . . . 0.0 110.329 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.976 HG11 HG21 ' A' ' 32' ' ' VAL . 3.3 t -93.79 126.7 46.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.424 1.077 . . . . 0.0 109.275 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.928 ' O ' ' HB ' ' A' ' 40' ' ' ILE . 0.4 OUTLIER -99.14 171.61 7.9 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 110.405 179.935 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . 0.853 ' CE1' HG12 ' A' ' 90' ' ' VAL . 7.8 m-85 -146.95 157.07 43.53 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.548 1.155 . . . . 0.0 110.908 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . 0.521 ' HG2' HG23 ' A' ' 36' ' ' THR . 0.3 OUTLIER -46.3 -25.71 0.68 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.486 1.117 . . . . 0.0 110.285 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -157.83 36.24 0.54 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.482 1.114 . . . . 0.0 111.031 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . 0.499 ' CA ' ' HB2' ' A' ' 92' ' ' TYR . 2.6 t-80 -161.34 171.33 18.48 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.45 0.736 . . . . 0.0 109.532 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 5.8 t -161.42 161.56 30.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.558 1.161 . . . . 0.0 110.397 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . 0.656 ' CD1' HG11 ' A' ' 9' ' ' VAL . 22.9 t80 -171.73 166.37 6.56 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.622 1.202 . . . . 0.0 110.97 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.78 ' HG2' HG22 ' A' ' 87' ' ' THR . 14.2 tt0 -149.32 133.47 17.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.42 1.075 . . . . 0.0 110.362 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . 0.637 ' O ' ' SG ' ' A' ' 88' ' ' CYS . 0.0 OUTLIER -151.79 123.05 7.72 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.575 1.172 . . . . 0.0 109.222 -179.971 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . 1.245 ' CB ' ' HA ' ' A' ' 87' ' ' THR . 26.9 t -168.6 -147.88 0.07 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 110.017 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . 0.831 HG23 ' CD1' ' A' ' 86' ' ' TYR . 4.6 t -134.11 177.34 7.82 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.432 1.082 . . . . 0.0 110.385 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.471 ' HB3' HG23 ' A' ' 85' ' ' THR . 16.3 pttt -168.31 108.74 0.53 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.432 1.083 . . . . 0.0 109.28 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . 0.551 ' HG3' ' N ' ' A' ' 104' ' ' SER . 0.0 OUTLIER -87.21 157.36 19.36 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.509 1.131 . . . . 0.0 109.297 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . 0.698 ' CB ' ' CG ' ' A' ' 83' ' ' ASP . 1.0 OUTLIER 49.28 19.37 0.32 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.451 1.094 . . . . 0.0 109.965 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . 0.433 ' N ' ' C ' ' A' ' 103' ' ' LYS . . . . . . . . 0 C--N 1.323 -0.557 0 O-C-N 124.591 1.182 . . . . 0.0 109.305 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 5.8 m . . . . . 0 N--CA 1.452 -0.366 0 N-CA-C 110.023 -0.362 . . . . 0.0 110.023 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 178.3 47.46 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.561 1.163 . . . . 0.0 110.324 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -65.82 87.81 0.1 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.415 179.906 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.467 ' CE1' ' HD3' ' A' ' 37' ' ' PRO . 3.0 m-85 45.79 -171.11 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.4 0 O-C-N 124.432 1.083 . . . . 0.0 110.977 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.579 HG21 ' O ' ' A' ' 34' ' ' GLY . 0.5 OUTLIER -71.4 170.12 12.97 Favored Pre-proline 0 C--N 1.323 -0.545 0 O-C-N 124.495 1.122 . . . . 0.0 110.342 -179.976 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.55 ' HD2' ' OG1' ' A' ' 5' ' ' THR . 18.1 Cg_endo -75.09 114.75 4.09 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.51 1.795 . . . . 0.0 111.0 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.558 ' HA ' ' HB3' ' A' ' 35' ' ' TYR . 18.6 Cg_endo -74.87 155.78 43.57 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.443 1.759 . . . . 0.0 111.025 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.525 ' O ' ' HA ' ' A' ' 32' ' ' VAL . 0.0 OUTLIER -154.19 128.07 8.83 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.545 1.153 . . . . 0.0 110.345 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.805 HG23 ' HB ' ' A' ' 32' ' ' VAL . 3.1 p -125.5 145.79 32.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 109.354 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.582 ' N ' ' O ' ' A' ' 31' ' ' LEU . 30.6 mmtt -136.35 155.1 50.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.12 . . . . 0.0 109.246 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.604 HD12 ' N ' ' A' ' 12' ' ' LEU . 0.0 OUTLIER -130.31 109.73 17.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 109.325 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.604 ' N ' HD12 ' A' ' 11' ' ' ILE . 30.9 mt -117.41 137.43 52.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.143 . . . . 0.0 109.294 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -107.68 150.26 27.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.561 1.163 . . . . 0.0 110.332 -179.912 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.476 ' HB2' ' CB ' ' A' ' 27' ' ' GLN . 2.2 m -132.46 72.74 1.5 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.421 1.076 . . . . 0.0 109.975 -179.915 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 7.0 t -122.52 34.98 4.99 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.563 1.165 . . . . 0.0 110.018 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.436 ' O ' ' C ' ' A' ' 17' ' ' ASP . 3.2 m -69.29 -60.86 2.06 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.51 1.131 . . . . 0.0 110.021 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.436 ' C ' ' O ' ' A' ' 16' ' ' SER . 15.9 t70 -37.98 156.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 109.294 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -101.93 -66.15 0.77 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.509 1.13 . . . . 0.0 111.026 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 154.34 160.66 9.96 Favored Glycine 0 CA--C 1.53 0.992 0 N-CA-C 111.032 -0.827 . . . . 0.0 111.032 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -174.1 104.35 0.19 Allowed Glycine 0 CA--C 1.53 0.991 0 N-CA-C 111.057 -0.817 . . . . 0.0 111.057 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 3.8 t-80 74.65 -64.93 0.37 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 0.78 . . . . 0.0 109.54 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 7.3 m-85 -79.71 163.01 60.67 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.481 1.113 . . . . 0.0 110.958 -179.875 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.424 ' HA ' ' HD3' ' A' ' 24' ' ' PRO . 18.4 Cg_endo -74.97 140.34 25.41 Favored 'Trans proline' 0 C--N 1.358 1.071 0 O-C-N 124.478 1.778 . . . . 0.0 110.933 -179.913 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.424 ' HD3' ' HA ' ' A' ' 23' ' ' PRO . 18.0 Cg_endo -75.06 158.24 42.09 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.493 1.786 . . . . 0.0 110.955 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.512 HG22 ' HA ' ' A' ' 76' ' ' SER . 24.8 p -143.31 -174.49 4.23 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.523 1.139 . . . . 0.0 110.386 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 1.025 HG23 HD13 ' A' ' 75' ' ' LEU . 0.3 OUTLIER -135.4 136.97 50.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 O-C-N 124.495 1.122 . . . . 0.0 109.294 179.954 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.52 ' HA ' ' O ' ' A' ' 73' ' ' LEU . 0.6 OUTLIER -114.32 96.19 5.66 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.489 1.118 . . . . 0.0 110.236 -179.973 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.627 ' O ' ' CB ' ' A' ' 73' ' ' LEU . 3.5 mt -101.08 103.31 14.4 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.52 1.138 . . . . 0.0 109.297 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.746 ' HA ' ' HA ' ' A' ' 72' ' ' GLU . 0.4 OUTLIER -110.11 128.91 55.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.403 1.064 . . . . 0.0 109.341 179.966 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.479 ' SG ' ' O ' ' A' ' 10' ' ' LYS . 0.1 OUTLIER -93.66 135.52 34.87 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.469 1.105 . . . . 0.0 108.315 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.582 ' O ' ' N ' ' A' ' 10' ' ' LYS . 3.4 mp -103.12 100.95 10.89 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.572 1.17 . . . . 0.0 109.268 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 1.214 HG22 ' CE2' ' A' ' 35' ' ' TYR . 3.8 p -131.42 122.1 49.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 O-C-N 124.52 1.137 . . . . 0.0 109.268 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.904 ' CB ' ' HA ' ' A' ' 68' ' ' SER . 21.7 p -154.98 -176.0 5.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.12 . . . . 0.0 109.929 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.579 ' O ' HG21 ' A' ' 5' ' ' THR . . . 78.81 -47.24 3.04 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.456 1.098 . . . . 0.0 110.987 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 1.214 ' CE2' HG22 ' A' ' 32' ' ' VAL . 12.1 p90 -60.86 143.01 55.68 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 0.769 . . . . 0.0 110.871 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.879 ' O ' ' HB3' ' A' ' 67' ' ' ALA . 9.4 m 48.87 138.63 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.612 1.195 . . . . 0.0 110.411 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.49 ' C ' ' HB2' ' A' ' 67' ' ' ALA . 18.2 Cg_endo -75.13 -8.07 19.61 Favored 'Trans proline' 0 C--N 1.361 1.226 0 O-C-N 124.55 1.816 . . . . 0.0 111.01 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.644 ' O ' HG22 ' A' ' 39' ' ' THR . . . -124.77 4.8 8.54 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.394 1.059 . . . . 0.0 111.027 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.76 HG23 ' N ' ' A' ' 40' ' ' ILE . 0.6 OUTLIER 92.82 -164.59 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.581 0.812 . . . . 0.0 110.3 -179.959 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 1.177 HG21 ' CD2' ' A' ' 92' ' ' TYR . 2.3 pt -133.83 -141.21 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 O-C-N 124.476 1.11 . . . . 0.0 109.179 -179.898 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . 0.54 ' C ' HD13 ' A' ' 42' ' ' ILE . 24.8 t-20 -113.85 159.63 19.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.543 1.152 . . . . 0.0 109.383 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.718 ' CG2' ' HB3' ' A' ' 58' ' ' ALA . 1.4 mm -117.0 127.86 74.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 O-C-N 124.531 1.144 . . . . 0.0 109.287 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.569 ' C ' ' CD1' ' A' ' 44' ' ' TRP . 2.0 m -154.42 158.68 40.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 110.397 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 1.067 ' CZ3' ' HB3' ' A' ' 88' ' ' CYS . 18.3 m95 -146.79 130.55 17.03 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.139 . . . . 0.0 108.025 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.434 HD22 ' HA ' ' A' ' 45' ' ' LEU . 0.2 OUTLIER -94.83 110.8 22.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.436 1.085 . . . . 0.0 109.279 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -98.97 148.76 23.66 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.465 1.103 . . . . 0.0 110.338 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.525 ' CB ' ' HB ' ' A' ' 85' ' ' THR . 0.4 OUTLIER -156.73 90.78 1.17 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.451 1.094 . . . . 0.0 109.308 179.957 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 162.81 49.42 0.02 OUTLIER Glycine 0 CA--C 1.532 1.104 0 O-C-N 124.647 1.217 . . . . 0.0 110.904 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 5.0 mp0 58.82 89.12 0.06 Allowed 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.529 0.782 . . . . 0.0 110.316 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.686 ' O ' HG13 ' A' ' 50' ' ' VAL . 2.4 p -85.36 44.19 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.458 1.099 . . . . 0.0 109.265 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . 0.452 ' CG ' ' N ' ' A' ' 52' ' ' ASP . 15.7 ptm -79.83 -38.61 32.5 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.453 1.096 . . . . 0.0 111.011 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.487 ' HB2' ' CE1' ' A' ' 79' ' ' HIS . 4.6 t0 -64.02 -146.93 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.543 1.152 . . . . 0.0 109.276 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -130.35 89.24 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.435 1.084 . . . . 0.0 109.26 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.441 ' HA ' ' O ' ' A' ' 74' ' ' THR . 1.6 m-20 -142.67 108.92 5.25 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.42 1.075 . . . . 0.0 109.259 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 1.1 HD22 ' N ' ' A' ' 56' ' ' SER . 0.0 OUTLIER -136.17 161.62 35.23 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 0.0 109.259 179.973 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 1.1 ' N ' HD22 ' A' ' 55' ' ' LEU . 0.0 OUTLIER -130.01 134.04 47.15 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.442 1.089 . . . . 0.0 110.005 -179.975 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.443 ' O ' ' N ' ' A' ' 72' ' ' GLU . 0.3 OUTLIER -132.2 156.12 47.03 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.549 1.156 . . . . 0.0 110.5 179.942 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.722 ' HB2' ' CB ' ' A' ' 71' ' ' SER . . . -130.22 151.59 50.57 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.59 1.182 . . . . 0.0 109.403 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.515 ' N ' ' O ' ' A' ' 70' ' ' GLN . 0.2 OUTLIER -106.34 162.61 13.53 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.533 1.145 . . . . 0.0 109.967 -179.964 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.559 HG23 ' CB ' ' A' ' 39' ' ' THR . 2.3 m -107.13 141.69 38.0 Favored 'General case' 0 C--N 1.323 -0.573 0 O-C-N 124.571 1.17 . . . . 0.0 110.354 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.678 ' OG1' ' O ' ' A' ' 68' ' ' SER . 0.0 OUTLIER -145.0 156.42 43.94 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.482 1.113 . . . . 0.0 110.423 179.95 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 2.9 tt0 -99.08 129.32 45.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.122 . . . . 0.0 110.293 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.994 ' O ' HD12 ' A' ' 66' ' ' LEU . 0.1 OUTLIER -127.03 64.07 1.31 Allowed 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.469 1.106 . . . . 0.0 110.323 179.957 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 73.69 -107.07 2.14 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.419 1.075 . . . . 0.0 111.018 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -101.14 0.19 37.26 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.432 0.725 . . . . 0.0 110.303 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.994 HD12 ' O ' ' A' ' 63' ' ' GLU . 0.0 OUTLIER -112.95 178.77 4.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 109.295 179.982 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.879 ' HB3' ' O ' ' A' ' 36' ' ' THR . . . -128.72 120.22 26.06 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.507 1.129 . . . . 0.0 109.301 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.904 ' HA ' ' CB ' ' A' ' 33' ' ' SER . 43.7 t -106.23 121.08 43.47 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.374 1.046 . . . . 0.0 110.005 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.888 ' HB ' ' OH ' ' A' ' 35' ' ' TYR . 0.7 OUTLIER -122.34 121.98 37.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.567 1.167 . . . . 0.0 110.379 -179.95 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.648 ' O ' ' HA ' ' A' ' 58' ' ' ALA . 0.1 OUTLIER -95.87 125.66 40.58 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.448 1.092 . . . . 0.0 110.3 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.722 ' CB ' ' HB2' ' A' ' 58' ' ' ALA . 0.7 OUTLIER -108.29 144.59 35.58 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.477 1.111 . . . . 0.0 109.945 -179.95 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.746 ' HA ' ' HA ' ' A' ' 29' ' ' LEU . 44.2 tt0 -133.58 160.83 36.31 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.475 1.11 . . . . 0.0 110.324 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.909 ' HG ' HD11 ' A' ' 75' ' ' LEU . 18.2 tp -139.04 146.24 40.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.45 1.094 . . . . 0.0 109.357 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.723 ' H ' HD12 ' A' ' 73' ' ' LEU . 0.7 OUTLIER -139.87 118.42 12.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.449 1.093 . . . . 0.0 110.425 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 1.025 HD13 HG23 ' A' ' 26' ' ' ILE . 0.0 OUTLIER -140.58 162.49 35.24 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 109.364 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.512 ' HA ' HG22 ' A' ' 25' ' ' THR . 0.1 OUTLIER -89.12 137.92 31.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.11 . . . . 0.0 110.076 179.952 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 21.1 tp60 -56.35 -36.39 68.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.313 1.008 . . . . 0.0 110.236 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.56 -46.94 73.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.117 . . . . 0.0 109.347 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . 0.487 ' CE1' ' HB2' ' A' ' 52' ' ' ASP . 0.0 OUTLIER -60.75 -39.81 90.12 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.516 1.135 . . . . 0.0 109.537 -179.969 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' TRP . . . . . 0.869 ' CZ3' ' CZ ' ' A' ' 86' ' ' TYR . 19.4 t-105 -62.63 -34.4 76.96 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.31 -39.74 85.93 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.354 1.034 . . . . 0.0 109.389 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . 0.499 ' O ' ' HB2' ' A' ' 83' ' ' ASP . 0.2 OUTLIER -77.31 6.9 5.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.431 1.082 . . . . 0.0 109.993 179.943 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . 0.569 ' HB3' ' HA ' ' A' ' 104' ' ' SER . 49.3 m-20 65.73 152.83 0.06 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.404 1.065 . . . . 0.0 109.233 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.517 ' HG3' ' CE2' ' A' ' 86' ' ' TYR . 0.5 OUTLIER -179.64 -172.25 0.21 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.524 1.14 . . . . 0.0 110.146 -179.947 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.525 ' HB ' ' CB ' ' A' ' 47' ' ' ASP . 1.0 OUTLIER -136.06 113.64 10.92 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.437 1.086 . . . . 0.0 110.501 179.939 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.869 ' CZ ' ' CZ3' ' A' ' 80' ' ' TRP . 0.0 OUTLIER -119.95 123.67 44.09 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.51 1.131 . . . . 0.0 111.052 179.986 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . 1.37 ' HA ' ' CB ' ' A' ' 100' ' ' SER . 1.4 m -142.4 136.83 29.95 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.513 1.133 . . . . 0.0 110.413 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' CYS . . . . . 1.067 ' HB3' ' CZ3' ' A' ' 44' ' ' TRP . 1.4 p -96.38 101.4 13.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 108.279 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . 0.452 ' N ' ' O ' ' A' ' 43' ' ' THR . 55.3 tt0 -93.68 106.38 18.35 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.437 1.085 . . . . 0.0 110.258 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 1.047 HG21 HG11 ' A' ' 32' ' ' VAL . 0.4 OUTLIER -98.25 121.73 49.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 O-C-N 124.438 1.086 . . . . 0.0 109.294 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 1.038 ' O ' ' HB ' ' A' ' 40' ' ' ILE . 0.8 OUTLIER -98.24 166.29 11.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.587 1.18 . . . . 0.0 110.385 179.999 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . 1.177 ' CD2' HG21 ' A' ' 40' ' ' ILE . 3.8 m-85 -135.79 153.64 51.46 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.437 1.086 . . . . 0.0 111.078 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 3.3 pp0? -52.16 -20.46 2.58 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.478 1.111 . . . . 0.0 110.303 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -152.77 33.81 0.81 Allowed Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.469 1.106 . . . . 0.0 110.947 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . 0.53 ' CA ' ' HB2' ' A' ' 92' ' ' TYR . 6.4 t60 -166.97 175.13 7.84 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.457 0.739 . . . . 0.0 109.626 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 14.8 t -161.25 151.33 17.35 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.128 . . . . 0.0 110.443 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . 0.64 ' CD1' HG11 ' A' ' 9' ' ' VAL . 2.8 t80 -163.84 162.53 23.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.541 1.151 . . . . 0.0 110.986 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.613 ' HG2' HG22 ' A' ' 87' ' ' THR . 32.3 tt0 -154.69 136.84 14.76 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.55 1.156 . . . . 0.0 110.356 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . 0.682 ' O ' ' SG ' ' A' ' 88' ' ' CYS . 22.8 m-20 -155.87 131.16 9.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.446 1.091 . . . . 0.0 109.27 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . 1.37 ' CB ' ' HA ' ' A' ' 87' ' ' THR . 0.6 OUTLIER -172.38 -150.02 0.05 Allowed 'General case' 0 C--N 1.327 -0.39 0 O-C-N 124.426 1.079 . . . . 0.0 109.982 -179.964 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . 0.665 HG23 ' CD1' ' A' ' 86' ' ' TYR . 5.2 t -133.69 172.99 12.0 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.117 . . . . 0.0 110.417 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -170.73 139.19 1.5 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.564 1.165 . . . . 0.0 109.229 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . 0.653 ' HZ1' ' HE1' ' A' ' 80' ' ' TRP . 0.0 OUTLIER -151.08 158.44 44.06 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.494 1.121 . . . . 0.0 109.263 -179.964 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . 0.632 ' N ' ' HG2' ' A' ' 103' ' ' LYS . 7.5 t -148.53 15.64 1.0 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.496 1.123 . . . . 0.0 110.024 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.431 0 O-C-N 124.488 1.118 . . . . 0.0 109.31 -179.989 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 35.8 p . . . . . 0 N--CA 1.451 -0.395 0 N-CA-C 110.122 -0.325 . . . . 0.0 110.122 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 173.98 64.35 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.449 1.093 . . . . 0.0 110.234 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.652 ' O ' ' CB ' ' A' ' 4' ' ' PHE . 6.7 t70 -155.13 -179.95 8.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 109.357 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.652 ' CB ' ' O ' ' A' ' 3' ' ' ASP . 2.0 m-30 86.22 -173.26 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 111.035 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.844 HG23 ' O ' ' A' ' 5' ' ' THR . 0.6 OUTLIER 66.03 46.66 0.48 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.441 1.088 . . . . 0.0 110.439 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.728 ' HD3' ' N ' ' A' ' 5' ' ' THR . 18.6 Cg_endo -74.89 111.87 3.43 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.621 1.853 . . . . 0.0 111.043 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.506 ' HA ' ' HB3' ' A' ' 35' ' ' TYR . 18.4 Cg_endo -75.01 105.09 2.02 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.48 1.779 . . . . 0.0 110.985 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.615 ' O ' ' HA ' ' A' ' 32' ' ' VAL . 0.0 OUTLIER -128.3 117.61 21.78 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.6 1.188 . . . . 0.0 110.351 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.922 HG23 ' HB ' ' A' ' 32' ' ' VAL . 1.0 OUTLIER -131.07 146.5 33.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.565 1.165 . . . . 0.0 109.36 179.907 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.605 ' N ' ' O ' ' A' ' 31' ' ' LEU . 18.9 mmtt -134.41 154.13 51.54 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 109.27 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.458 HG13 ' NE2' ' A' ' 13' ' ' GLN . 5.3 tp -116.35 119.18 61.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.422 1.077 . . . . 0.0 109.35 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 1.04 HD12 HD13 ' A' ' 31' ' ' LEU . 36.4 mt -120.99 136.7 54.92 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.538 1.149 . . . . 0.0 109.278 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.458 ' NE2' HG13 ' A' ' 11' ' ' ILE . 0.0 OUTLIER -108.72 143.2 38.16 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.462 1.101 . . . . 0.0 110.356 179.933 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.448 ' HB3' ' CB ' ' A' ' 27' ' ' GLN . 13.5 t -136.21 79.23 1.76 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.51 1.131 . . . . 0.0 109.911 -179.92 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 15.2 t -125.84 132.77 52.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.444 1.09 . . . . 0.0 110.055 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.402 ' O ' ' C ' ' A' ' 17' ' ' ASP . 0.1 OUTLIER -154.87 138.85 16.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 109.912 -179.914 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.402 ' C ' ' O ' ' A' ' 16' ' ' SER . 22.0 t70 -40.37 159.26 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.488 1.117 . . . . 0.0 109.325 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -101.62 -76.55 1.19 Allowed Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.485 1.116 . . . . 0.0 111.033 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 168.33 -107.61 0.28 Allowed Glycine 0 CA--C 1.531 1.084 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -102.64 -80.07 1.43 Allowed Glycine 0 CA--C 1.529 0.924 0 O-C-N 124.561 0.801 . . . . 0.0 111.107 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -83.58 176.8 8.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 0.784 . . . . 0.0 109.601 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER 69.36 127.39 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 111.021 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.93 154.01 42.54 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.438 1.757 . . . . 0.0 111.082 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.9 162.85 36.62 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.486 1.782 . . . . 0.0 111.026 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.48 ' OG1' ' N ' ' A' ' 26' ' ' ILE . 3.1 t -139.38 -177.67 5.03 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.436 1.085 . . . . 0.0 110.369 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.892 HD12 ' CE3' ' A' ' 80' ' ' TRP . 0.2 OUTLIER -140.5 137.29 36.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.523 1.139 . . . . 0.0 109.347 179.925 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.76 ' HA ' ' O ' ' A' ' 73' ' ' LEU . 4.0 mt-30 -124.27 99.95 6.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.415 1.072 . . . . 0.0 110.344 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 1.003 HD12 ' HG ' ' A' ' 73' ' ' LEU . 1.8 mt -97.75 96.69 8.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.584 1.178 . . . . 0.0 109.28 -179.92 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.545 ' HA ' ' HA ' ' A' ' 72' ' ' GLU . 9.9 mp -89.36 120.31 30.59 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.578 1.174 . . . . 0.0 109.272 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.487 ' HB2' ' CH2' ' A' ' 44' ' ' TRP . 0.5 OUTLIER -91.23 132.01 36.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.125 . . . . 0.0 108.356 179.964 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 1.04 HD13 HD12 ' A' ' 12' ' ' LEU . 2.5 mp -104.14 102.42 12.16 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.587 1.18 . . . . 0.0 109.278 -179.917 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 1.072 HG22 ' CE2' ' A' ' 35' ' ' TYR . 3.2 p -130.01 121.83 52.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.538 1.149 . . . . 0.0 109.301 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.915 ' CB ' ' HA ' ' A' ' 68' ' ' SER . 10.9 p -157.97 -176.82 6.14 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.493 1.121 . . . . 0.0 110.03 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.591 ' HA2' ' HB3' ' A' ' 66' ' ' LEU . . . 79.0 -44.5 2.61 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.41 1.069 . . . . 0.0 110.952 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 1.072 ' CE2' HG22 ' A' ' 32' ' ' VAL . 5.2 p90 -64.56 153.72 38.31 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.434 0.726 . . . . 0.0 110.874 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.898 ' O ' ' HB3' ' A' ' 67' ' ' ALA . 3.0 m 48.8 142.19 0.01 OUTLIER Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.466 1.104 . . . . 0.0 110.378 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.56 ' C ' ' HB2' ' A' ' 67' ' ' ALA . 18.4 Cg_endo -74.99 -11.02 21.47 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.444 1.76 . . . . 0.0 110.975 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.537 ' O ' ' CB ' ' A' ' 39' ' ' THR . . . -125.2 -54.12 0.17 Allowed Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.568 1.167 . . . . 0.0 110.967 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.717 ' O ' HG21 ' A' ' 36' ' ' THR . 0.9 OUTLIER 164.11 174.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 0.762 . . . . 0.0 110.468 -179.946 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.968 ' HB ' ' O ' ' A' ' 91' ' ' THR . 1.4 pt -120.35 -138.65 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.412 1.07 . . . . 0.0 109.272 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . 0.885 ' C ' HD13 ' A' ' 42' ' ' ILE . 11.5 t-20 -120.42 160.04 23.89 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.496 1.122 . . . . 0.0 109.295 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.885 HD13 ' C ' ' A' ' 41' ' ' ASN . 0.3 OUTLIER -117.62 129.67 73.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.622 1.202 . . . . 0.0 109.337 179.914 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.569 ' C ' ' CD1' ' A' ' 44' ' ' TRP . 1.9 m -155.16 154.26 32.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.553 1.158 . . . . 0.0 110.316 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 1.008 ' CZ3' ' HB3' ' A' ' 88' ' ' CYS . 12.7 m95 -144.27 129.69 18.92 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 107.948 -1.13 . . . . 0.0 107.948 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -97.34 113.11 24.7 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.563 1.165 . . . . 0.0 109.394 179.901 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.428 ' HG2' ' N ' ' A' ' 47' ' ' ASP . 23.1 tt0 -101.71 142.11 33.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 110.293 -179.917 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.553 ' CB ' ' HB ' ' A' ' 85' ' ' THR . 0.1 OUTLIER -144.22 99.89 3.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.557 1.161 . . . . 0.0 109.3 -179.969 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.574 ' O ' ' CB ' ' A' ' 49' ' ' GLN . . . 145.58 71.62 0.02 OUTLIER Glycine 0 CA--C 1.531 1.073 0 O-C-N 124.536 1.148 . . . . 0.0 111.025 -179.893 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.574 ' CB ' ' O ' ' A' ' 48' ' ' GLY . 1.3 tp-100 93.24 110.49 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.563 0.802 . . . . 0.0 110.277 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 11.7 p -71.91 41.16 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.129 . . . . 0.0 109.373 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . 0.555 ' H ' ' C ' ' A' ' 49' ' ' GLN . 0.0 OUTLIER -91.72 112.73 24.77 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.549 1.156 . . . . 0.0 111.073 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -65.47 65.89 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.525 1.141 . . . . 0.0 109.312 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.631 ' CG1' ' O ' ' A' ' 53' ' ' VAL . 0.9 OUTLIER -135.52 9.7 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.448 1.092 . . . . 0.0 109.363 179.957 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.481 ' HB2' ' HB2' ' A' ' 75' ' ' LEU . 7.3 t70 -141.63 88.16 2.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.439 1.087 . . . . 0.0 109.32 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 1.121 HD22 ' N ' ' A' ' 56' ' ' SER . 0.0 OUTLIER -133.72 148.02 51.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 109.244 179.965 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 1.121 ' N ' HD22 ' A' ' 55' ' ' LEU . 31.2 t -131.11 150.86 51.96 Favored 'General case' 0 N--CA 1.451 -0.397 0 O-C-N 124.343 1.027 . . . . 0.0 110.027 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.436 ' O ' ' N ' ' A' ' 72' ' ' GLU . 0.1 OUTLIER -138.81 152.87 48.24 Favored 'General case' 0 C--N 1.327 -0.383 0 O-C-N 124.539 1.149 . . . . 0.0 110.332 179.971 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 1.011 ' HB2' ' CB ' ' A' ' 71' ' ' SER . . . -133.02 152.66 51.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.571 1.169 . . . . 0.0 109.258 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.559 ' O ' ' HA ' ' A' ' 69' ' ' THR . 3.4 m -109.47 174.3 5.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.433 1.083 . . . . 0.0 109.956 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.462 ' HB ' HG21 ' A' ' 39' ' ' THR . 1.9 t -105.55 146.95 28.93 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.554 1.159 . . . . 0.0 110.341 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.483 ' OG1' ' C ' ' A' ' 68' ' ' SER . 0.8 OUTLIER -138.82 163.63 31.72 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.485 1.115 . . . . 0.0 110.336 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -108.98 126.32 52.98 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.555 1.16 . . . . 0.0 110.296 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -127.07 61.54 1.35 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.445 1.091 . . . . 0.0 110.308 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 70.74 -104.8 1.46 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.522 1.139 . . . . 0.0 111.02 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 34.3 tp10 -96.67 -1.65 46.23 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.467 0.746 . . . . 0.0 110.34 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.591 ' HB3' ' HA2' ' A' ' 34' ' ' GLY . 45.7 mt -112.45 -179.23 3.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.113 . . . . 0.0 109.325 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.898 ' HB3' ' O ' ' A' ' 36' ' ' THR . . . -135.4 122.08 20.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.573 1.171 . . . . 0.0 109.216 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.915 ' HA ' ' CB ' ' A' ' 33' ' ' SER . 10.1 t -92.99 179.04 5.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.434 1.084 . . . . 0.0 110.064 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.749 HG22 HG12 ' A' ' 32' ' ' VAL . 1.0 OUTLIER -169.9 132.25 1.11 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.109 . . . . 0.0 110.357 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.809 ' O ' ' HA ' ' A' ' 58' ' ' ALA . 1.7 tp60 -112.63 121.31 44.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.579 1.174 . . . . 0.0 110.271 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 1.011 ' CB ' ' HB2' ' A' ' 58' ' ' ALA . 0.7 OUTLIER -110.69 146.13 36.78 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.505 1.128 . . . . 0.0 110.009 179.964 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.545 ' HA ' ' HA ' ' A' ' 29' ' ' LEU . 0.0 OUTLIER -135.93 133.35 37.53 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.608 1.193 . . . . 0.0 110.34 -179.966 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 1.111 HD13 ' N ' ' A' ' 74' ' ' THR . 0.7 OUTLIER -109.71 144.48 38.03 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.414 1.071 . . . . 0.0 109.304 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 1.111 ' N ' HD13 ' A' ' 73' ' ' LEU . 1.0 OUTLIER -143.66 123.82 13.71 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 110.407 179.959 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.742 ' HG ' HG22 ' A' ' 26' ' ' ILE . 0.2 OUTLIER -156.08 163.19 39.96 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.454 1.096 . . . . 0.0 109.387 179.956 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.51 ' O ' HD12 ' A' ' 75' ' ' LEU . 1.1 t -77.41 134.35 38.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.112 . . . . 0.0 110.067 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 7.1 tp60 -61.83 -33.07 73.49 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.537 1.148 . . . . 0.0 110.323 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 18.9 tttt -53.14 -53.78 45.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.125 . . . . 0.0 109.349 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . 0.436 ' HB3' ' NE ' ' A' ' 84' ' ' ARG . 14.3 m-70 -53.35 -41.42 65.78 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.547 1.154 . . . . 0.0 109.633 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' TRP . . . . . 0.892 ' CE3' HD12 ' A' ' 26' ' ' ILE . 7.5 t-105 -59.38 -38.19 79.84 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.56 1.163 . . . . 0.0 107.974 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -57.35 -40.72 78.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.445 1.091 . . . . 0.0 109.3 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . 0.494 ' O ' ' HB3' ' A' ' 83' ' ' ASP . 0.7 OUTLIER -77.41 6.74 6.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.443 1.089 . . . . 0.0 110.029 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . 0.494 ' HB3' ' O ' ' A' ' 82' ' ' SER . 0.0 OUTLIER 68.42 148.67 0.06 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.46 1.1 . . . . 0.0 109.278 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.438 ' NE ' ' O ' ' A' ' 48' ' ' GLY . 0.0 OUTLIER -168.63 -175.8 2.57 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.589 1.181 . . . . 0.0 110.28 179.881 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.553 ' HB ' ' CB ' ' A' ' 47' ' ' ASP . 1.0 OUTLIER -131.65 99.65 4.86 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.512 1.132 . . . . 0.0 110.337 -179.899 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.806 ' CZ ' ' CE3' ' A' ' 80' ' ' TRP . 0.0 OUTLIER -109.49 121.46 45.25 Favored 'General case' 0 C--N 1.327 -0.402 0 O-C-N 124.504 1.128 . . . . 0.0 110.985 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . 1.405 ' HA ' ' CB ' ' A' ' 100' ' ' SER . 0.6 OUTLIER -139.42 132.29 29.25 Favored 'General case' 0 C--N 1.323 -0.567 0 O-C-N 124.502 1.127 . . . . 0.0 110.402 179.963 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' CYS . . . . . 1.008 ' HB3' ' CZ3' ' A' ' 44' ' ' TRP . 30.1 p -89.63 96.19 10.59 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.551 1.157 . . . . 0.0 108.31 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . 0.485 ' N ' ' O ' ' A' ' 43' ' ' THR . 2.1 tt0 -88.47 102.16 14.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.485 1.116 . . . . 0.0 110.363 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.854 HG12 ' CE1' ' A' ' 92' ' ' TYR . 31.2 t -93.86 132.35 38.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.418 1.074 . . . . 0.0 109.302 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.968 ' O ' ' HB ' ' A' ' 40' ' ' ILE . 0.3 OUTLIER -101.53 163.55 12.21 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.487 1.117 . . . . 0.0 110.331 -179.935 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . 0.854 ' CE1' HG12 ' A' ' 90' ' ' VAL . 3.6 m-85 -144.7 146.83 32.41 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.608 1.193 . . . . 0.0 110.932 -179.916 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -64.68 -6.36 7.68 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.506 1.129 . . . . 0.0 110.325 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -114.56 -20.9 5.65 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.415 1.072 . . . . 0.0 111.075 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . 0.451 ' O ' ' HB2' ' A' ' 92' ' ' TYR . 5.8 t60 -175.15 -158.1 0.07 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.424 0.72 . . . . 0.0 109.553 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 13.4 t -150.14 164.77 34.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 110.369 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . 0.616 ' CD1' HG11 ' A' ' 9' ' ' VAL . 46.5 t80 -168.14 164.99 13.44 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.498 1.124 . . . . 0.0 110.964 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.682 ' HG2' HG22 ' A' ' 87' ' ' THR . 28.2 tt0 -156.35 146.47 21.31 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.553 1.158 . . . . 0.0 110.371 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . 0.561 ' O ' ' SG ' ' A' ' 88' ' ' CYS . 5.8 m-20 -160.01 129.93 5.37 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.618 1.199 . . . . 0.0 109.296 -179.904 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . 1.405 ' CB ' ' HA ' ' A' ' 87' ' ' THR . 2.4 t -170.65 -149.21 0.06 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.477 1.111 . . . . 0.0 110.021 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . 0.661 HG23 ' CD1' ' A' ' 86' ' ' TYR . 5.0 t -133.25 -177.87 4.72 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.531 1.145 . . . . 0.0 110.385 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.456 ' HA ' ' HA ' ' A' ' 85' ' ' THR . 0.0 OUTLIER -151.62 -166.82 2.61 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.566 1.167 . . . . 0.0 109.269 -179.947 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . 1.014 ' HG2' ' N ' ' A' ' 104' ' ' SER . 0.0 OUTLIER 57.6 -176.9 0.07 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.479 1.112 . . . . 0.0 109.22 179.848 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . 1.014 ' N ' ' HG2' ' A' ' 103' ' ' LYS . 43.0 t -88.21 31.02 0.82 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.453 1.095 . . . . 0.0 110.08 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . 0.568 ' HB3' ' HD3' ' A' ' 103' ' ' LYS . . . . . . . . 0 C--N 1.326 -0.435 0 O-C-N 124.462 1.101 . . . . 0.0 109.377 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 54.7 m . . . . . 0 N--CA 1.453 -0.275 0 N-CA-C 110.001 -0.37 . . . . 0.0 110.001 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -179.46 53.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.107 . . . . 0.0 110.195 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.444 ' O ' ' O ' ' A' ' 4' ' ' PHE . 28.8 t70 -173.43 59.63 0.02 OUTLIER 'General case' 0 C--N 1.322 -0.605 0 O-C-N 124.613 1.196 . . . . 0.0 109.285 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.542 ' CE1' ' OE1' ' A' ' 93' ' ' GLN . 31.1 m-85 43.62 -171.1 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.532 1.145 . . . . 0.0 110.929 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.696 HG22 ' HD2' ' A' ' 6' ' ' PRO . 0.2 OUTLIER -85.21 172.55 8.58 Favored Pre-proline 0 C--N 1.326 -0.417 0 O-C-N 124.483 1.115 . . . . 0.0 110.405 179.966 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.696 ' HD2' HG22 ' A' ' 5' ' ' THR . 18.4 Cg_endo -74.94 113.08 3.71 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.51 1.795 . . . . 0.0 110.984 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.625 ' HA ' ' HB3' ' A' ' 35' ' ' TYR . 18.1 Cg_endo -75.04 159.59 41.02 Favored 'Trans proline' 0 C--N 1.357 1.023 0 O-C-N 124.563 1.823 . . . . 0.0 110.982 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.525 ' O ' ' HA ' ' A' ' 32' ' ' VAL . 0.0 OUTLIER -156.45 130.81 8.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.459 1.099 . . . . 0.0 110.405 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.9 HG11 ' CD2' ' A' ' 97' ' ' PHE . 2.4 p -132.35 140.6 47.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.537 1.148 . . . . 0.0 109.448 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.704 ' CB ' HD12 ' A' ' 31' ' ' LEU . 5.1 mmtt -138.45 156.68 47.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.294 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.54 ' CD1' ' SG ' ' A' ' 30' ' ' CYS . 0.4 OUTLIER -129.19 111.43 22.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.632 1.207 . . . . 0.0 109.275 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.937 HD12 HD21 ' A' ' 31' ' ' LEU . 83.1 mt -112.35 132.2 55.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.447 1.092 . . . . 0.0 109.261 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.622 ' HB3' HD23 ' A' ' 28' ' ' LEU . 0.0 OUTLIER -105.31 142.36 35.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.568 1.168 . . . . 0.0 110.301 179.964 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.496 ' HB3' ' CB ' ' A' ' 27' ' ' GLN . 0.3 OUTLIER -132.03 71.36 1.47 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.114 . . . . 0.0 110.014 -179.964 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.429 ' O ' ' N ' ' A' ' 17' ' ' ASP . 3.2 t -125.32 167.36 15.02 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.448 1.092 . . . . 0.0 109.912 -179.89 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.405 ' O ' ' O ' ' A' ' 17' ' ' ASP . 4.9 t 69.31 -59.34 0.49 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.441 1.088 . . . . 0.0 110.01 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.506 ' CG ' ' N ' ' A' ' 18' ' ' GLY . 0.1 OUTLIER 54.64 169.26 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.265 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.506 ' N ' ' CG ' ' A' ' 17' ' ' ASP . . . -128.24 167.51 20.45 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.596 1.185 . . . . 0.0 111.071 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 97.97 51.92 1.44 Allowed Glycine 0 CA--C 1.531 1.05 0 N-CA-C 110.933 -0.867 . . . . 0.0 110.933 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 62.04 163.41 0.29 Allowed Glycine 0 CA--C 1.531 1.063 0 N-CA-C 110.929 -0.869 . . . . 0.0 110.929 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . 0.413 ' C ' ' CG ' ' A' ' 22' ' ' PHE . 0.3 OUTLIER 63.88 -175.65 0.16 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.546 0.792 . . . . 0.0 109.631 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.422 ' HA ' ' HD3' ' A' ' 23' ' ' PRO . 64.3 m-85 -157.49 142.12 11.93 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 111.002 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.422 ' HD3' ' HA ' ' A' ' 22' ' ' PHE . 17.9 Cg_endo -75.0 119.9 5.84 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.527 1.804 . . . . 0.0 110.948 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.407 ' C ' ' HB2' ' A' ' 77' ' ' GLN . 18.4 Cg_endo -75.12 5.1 4.24 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.45 1.763 . . . . 0.0 110.923 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.936 HG22 ' HA ' ' A' ' 76' ' ' SER . 2.2 p -136.35 -167.74 2.11 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 110.473 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.979 HG21 HD23 ' A' ' 75' ' ' LEU . 1.2 tt -134.25 137.75 51.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.445 1.091 . . . . 0.0 109.304 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.514 ' HA ' ' O ' ' A' ' 73' ' ' LEU . 9.0 mt-30 -120.73 86.8 2.64 Favored 'General case' 0 C--N 1.323 -0.578 0 O-C-N 124.554 1.159 . . . . 0.0 110.332 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 1.0 HD12 HD22 ' A' ' 73' ' ' LEU . 0.3 OUTLIER -101.86 108.68 20.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.101 . . . . 0.0 109.325 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.715 ' HA ' ' HA ' ' A' ' 72' ' ' GLU . 0.5 OUTLIER -114.13 126.75 55.43 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 0.0 109.363 179.97 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.6 ' SG ' ' CH2' ' A' ' 44' ' ' TRP . 13.2 m -92.55 152.16 19.77 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.534 1.146 . . . . 0.0 108.419 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.937 HD21 HD12 ' A' ' 12' ' ' LEU . 0.0 OUTLIER -116.08 102.35 9.55 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.445 1.091 . . . . 0.0 109.325 -179.97 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 1.105 HG22 ' CE2' ' A' ' 35' ' ' TYR . 2.0 p -129.49 116.62 39.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 109.273 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.876 ' CB ' ' HA ' ' A' ' 68' ' ' SER . 6.8 p -155.79 -179.45 8.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.553 1.158 . . . . 0.0 109.921 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.642 ' CA ' HD23 ' A' ' 66' ' ' LEU . . . 80.91 -45.51 3.18 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.536 1.147 . . . . 0.0 110.928 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 1.105 ' CE2' HG22 ' A' ' 32' ' ' VAL . 2.6 p90 -61.85 152.13 32.52 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 0.779 . . . . 0.0 111.008 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.906 ' O ' ' HB3' ' A' ' 67' ' ' ALA . 1.9 m 48.98 140.39 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.585 1.178 . . . . 0.0 110.3 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.495 ' HD2' HG22 ' A' ' 36' ' ' THR . 18.3 Cg_endo -75.01 -14.07 21.22 Favored 'Trans proline' 0 C--N 1.362 1.24 0 O-C-N 124.396 1.735 . . . . 0.0 110.977 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.662 ' O ' HG22 ' A' ' 39' ' ' THR . . . -127.16 6.88 7.21 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.503 1.127 . . . . 0.0 111.053 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.714 ' O ' HG21 ' A' ' 36' ' ' THR . 0.7 OUTLIER 94.32 -169.95 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.499 0.764 . . . . 0.0 110.39 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.929 ' HB ' ' O ' ' A' ' 91' ' ' THR . 0.8 OUTLIER -131.51 -139.88 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 O-C-N 124.548 1.155 . . . . 0.0 109.311 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . 0.465 ' CB ' ' HB ' ' A' ' 91' ' ' THR . 0.3 OUTLIER -116.81 156.67 26.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.55 1.156 . . . . 0.0 109.216 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.976 HG21 ' HB3' ' A' ' 58' ' ' ALA . 4.2 mt -119.41 125.9 74.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.463 1.102 . . . . 0.0 109.354 179.854 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.567 ' C ' ' CD1' ' A' ' 44' ' ' TRP . 4.3 m -149.13 162.51 39.82 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.552 1.157 . . . . 0.0 110.426 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 1.013 ' CZ3' ' HB3' ' A' ' 88' ' ' CYS . 20.3 m95 -147.81 131.25 16.67 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.548 1.155 . . . . 0.0 107.983 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.413 ' N ' ' O ' ' A' ' 87' ' ' THR . 13.4 tp -99.5 107.93 20.24 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.526 1.141 . . . . 0.0 109.379 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.839 ' OE2' HG23 ' A' ' 50' ' ' VAL . 0.1 OUTLIER -98.99 151.87 20.44 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 110.306 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.513 ' HB2' ' CG2' ' A' ' 85' ' ' THR . 0.4 OUTLIER -151.56 102.56 2.89 Favored 'General case' 0 C--N 1.327 -0.408 0 O-C-N 124.535 1.147 . . . . 0.0 109.283 179.995 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 146.68 43.76 0.04 OUTLIER Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.432 1.082 . . . . 0.0 110.967 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 66.64 77.01 0.29 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.459 0.74 . . . . 0.0 110.248 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.839 HG23 ' OE2' ' A' ' 46' ' ' GLU . 8.7 p -86.36 43.98 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 109.333 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 10.5 ptp -86.32 -26.63 24.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 110.972 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -64.12 -153.05 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.519 1.137 . . . . 0.0 109.273 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.811 HG12 ' O ' ' A' ' 53' ' ' VAL . 15.2 t -110.88 28.53 2.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 O-C-N 124.456 1.097 . . . . 0.0 109.29 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.471 ' CB ' ' HB2' ' A' ' 75' ' ' LEU . 0.4 OUTLIER -92.28 98.0 11.23 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.571 1.17 . . . . 0.0 109.292 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 1.088 HD22 ' N ' ' A' ' 56' ' ' SER . 0.0 OUTLIER -138.64 161.07 38.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.217 -179.958 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 1.088 ' N ' HD22 ' A' ' 55' ' ' LEU . 0.7 OUTLIER -127.29 131.86 50.41 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.413 1.071 . . . . 0.0 109.97 -179.979 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -131.41 159.9 36.66 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.496 1.123 . . . . 0.0 110.404 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.976 ' HB3' HG21 ' A' ' 42' ' ' ILE . . . -132.51 154.77 49.61 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.392 1.057 . . . . 0.0 109.295 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.546 ' O ' ' HA ' ' A' ' 69' ' ' THR . 2.2 t -107.14 169.55 8.49 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.471 1.107 . . . . 0.0 109.975 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.631 ' CG2' HG21 ' A' ' 39' ' ' THR . 2.8 m -107.76 146.48 32.11 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.515 1.134 . . . . 0.0 110.479 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.535 ' OG1' ' CB ' ' A' ' 68' ' ' SER . 0.6 OUTLIER -137.32 157.75 45.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 110.399 -179.954 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 13.1 pt20 -118.17 134.27 55.16 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 110.288 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 -139.6 63.45 1.49 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.452 1.095 . . . . 0.0 110.202 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 71.79 -106.68 1.97 Allowed Glycine 0 CA--C 1.528 0.862 0 O-C-N 124.576 1.173 . . . . 0.0 111.094 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 9.7 tt0 -96.07 -1.86 47.87 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.416 0.715 . . . . 0.0 110.337 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.642 HD23 ' CA ' ' A' ' 34' ' ' GLY . 2.9 mp -105.18 166.34 10.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.105 . . . . 0.0 109.331 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.906 ' HB3' ' O ' ' A' ' 36' ' ' THR . . . -133.43 119.09 19.18 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.515 1.134 . . . . 0.0 109.243 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.876 ' HA ' ' CB ' ' A' ' 33' ' ' SER . 10.3 t -96.37 175.11 6.55 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.418 1.074 . . . . 0.0 109.979 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.742 ' HB ' ' OH ' ' A' ' 35' ' ' TYR . 1.2 m -171.38 119.54 0.48 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.491 1.12 . . . . 0.0 110.361 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.662 ' O ' ' HA ' ' A' ' 58' ' ' ALA . 4.9 tt0 -96.73 120.44 37.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.434 1.084 . . . . 0.0 110.291 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.738 ' HA ' ' CB ' ' A' ' 58' ' ' ALA . 0.3 OUTLIER -104.72 140.0 38.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.605 1.191 . . . . 0.0 109.956 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.715 ' HA ' ' HA ' ' A' ' 29' ' ' LEU . 19.1 tt0 -134.38 160.66 37.28 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 110.325 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 1.0 HD22 HD12 ' A' ' 28' ' ' LEU . 10.5 tt -141.18 139.79 33.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.542 1.151 . . . . 0.0 109.342 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.461 ' O ' ' HA ' ' A' ' 54' ' ' ASP . 0.0 OUTLIER -139.37 114.52 9.61 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 110.34 -179.946 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.979 HD23 HG21 ' A' ' 26' ' ' ILE . 0.1 OUTLIER -141.83 159.17 42.78 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.405 1.066 . . . . 0.0 109.321 179.964 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.936 ' HA ' HG22 ' A' ' 25' ' ' THR . 67.4 m -84.69 138.71 32.5 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.12 . . . . 0.0 110.03 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . 0.407 ' HB2' ' C ' ' A' ' 24' ' ' PRO . 13.9 tm0? -57.28 -28.21 62.81 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.461 1.101 . . . . 0.0 110.303 179.88 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 14.5 tptp -53.12 -58.68 6.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.639 1.212 . . . . 0.0 109.29 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 32.5 m80 -55.82 -41.18 73.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.39 1.056 . . . . 0.0 109.653 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' TRP . . . . . 0.919 ' CZ3' ' CZ ' ' A' ' 86' ' ' TYR . 18.0 t-105 -57.28 -40.6 78.09 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.459 ' C ' ' H ' ' A' ' 83' ' ' ASP . 0.3 OUTLIER -70.15 -40.3 74.83 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.61 1.194 . . . . 0.0 109.291 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -79.78 23.01 0.45 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.904 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . 0.512 ' CB ' ' HA ' ' A' ' 104' ' ' SER . 0.0 OUTLIER 63.22 148.07 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.557 1.161 . . . . 0.0 109.255 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.514 ' CZ ' ' CD ' ' A' ' 46' ' ' GLU . 0.1 OUTLIER -177.33 174.9 1.54 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.457 1.098 . . . . 0.0 110.303 179.967 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.513 ' CG2' ' HB2' ' A' ' 47' ' ' ASP . 0.9 OUTLIER -135.12 118.89 17.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 110.432 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.919 ' CZ ' ' CZ3' ' A' ' 80' ' ' TRP . 0.0 OUTLIER -121.1 122.43 40.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.422 1.076 . . . . 0.0 110.912 -179.91 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . 1.41 ' HA ' ' CB ' ' A' ' 100' ' ' SER . 1.1 m -145.15 128.91 17.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.438 1.086 . . . . 0.0 110.384 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' CYS . . . . . 1.013 ' HB3' ' CZ3' ' A' ' 44' ' ' TRP . 13.7 p -94.86 101.4 13.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 108.277 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . 0.452 ' N ' ' O ' ' A' ' 43' ' ' THR . 49.5 tt0 -87.98 104.44 16.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 110.32 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 1.068 HG12 ' CE1' ' A' ' 92' ' ' TYR . 4.0 t -93.4 125.65 45.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.462 1.101 . . . . 0.0 109.293 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.929 ' O ' ' HB ' ' A' ' 40' ' ' ILE . 1.0 OUTLIER -96.03 165.4 12.27 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.58 1.175 . . . . 0.0 110.366 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . 1.068 ' CE1' HG12 ' A' ' 90' ' ' VAL . 25.0 m-85 -145.8 140.65 27.26 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.482 1.114 . . . . 0.0 110.946 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . 0.654 ' HG2' HG23 ' A' ' 36' ' ' THR . 3.4 pt20 -56.42 -11.58 1.31 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.425 1.078 . . . . 0.0 110.261 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . 0.406 ' N ' ' C ' ' A' ' 92' ' ' TYR . . . -109.37 -28.37 4.37 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.502 1.126 . . . . 0.0 111.105 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . 0.504 ' O ' ' N ' ' A' ' 92' ' ' TYR . 1.1 t-160 -167.83 -151.5 0.11 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 0.766 . . . . 0.0 109.625 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 6.0 t -155.06 161.54 41.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.549 1.155 . . . . 0.0 110.38 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . 0.9 ' CD2' HG11 ' A' ' 9' ' ' VAL . 73.1 t80 -155.99 168.5 27.06 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.579 1.175 . . . . 0.0 110.925 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.812 ' HG2' HG22 ' A' ' 87' ' ' THR . 25.2 tt0 -144.81 142.98 30.4 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.513 1.133 . . . . 0.0 110.346 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . 0.561 ' O ' ' SG ' ' A' ' 88' ' ' CYS . 0.1 OUTLIER -155.99 119.89 4.45 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.548 1.155 . . . . 0.0 109.334 179.882 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . 1.41 ' CB ' ' HA ' ' A' ' 87' ' ' THR . 0.8 OUTLIER -170.74 -151.36 0.08 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 0.0 110.011 -179.938 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . 0.741 HG23 ' CD1' ' A' ' 86' ' ' TYR . 4.4 t -142.64 -179.7 6.47 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.48 1.113 . . . . 0.0 110.42 -179.892 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.432 ' N ' ' OG1' ' A' ' 101' ' ' THR . 5.0 pttp -162.62 143.94 10.2 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.527 1.142 . . . . 0.0 109.299 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . 0.65 ' NZ ' ' HE1' ' A' ' 80' ' ' TRP . 0.0 OUTLIER -148.92 166.84 27.39 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 0.0 109.314 -179.992 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . 0.512 ' HA ' ' CB ' ' A' ' 83' ' ' ASP . 8.4 t -134.56 43.77 2.73 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.551 1.157 . . . . 0.0 109.97 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . 0.451 ' H ' ' CG ' ' A' ' 103' ' ' LYS . . . . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.501 1.126 . . . . 0.0 109.325 -179.98 . . . . . . . . 1 1 . 1 stop_ save_